Compounds > cytochalasin b
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cytochalasin b

Description

Cytochalasin B: A cytotoxic member of the CYTOCHALASINS. [MeSH]

cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. [CHeBI]

Cross-References

ID SourceID
PubMed CID5311281
CHEMBL ID411729
SCHEMBL ID20063279
CHEBI ID23527
MeSH IDM0005580

Synonyms (69)

Synonym
MLS001148651
c29h37no5
smr000058787
MLS000028816 ,
phomin
SPECTRUM5_001780
2h-oxacyclotetradec(2,3-d)isoindole-2,18(5h)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (e)-(5s,9r,12as,13s,15s,15as,16as,18as)-
7,20-dihydroxy-10-phenyl-5,16-dimethyl-24-oxa-(14)cytochalas-6(12),13,21-trien-23-one
2h-oxacyclotetradec(2,3-d)isoindole-2,18(5h)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (e,e)-(5s,9r,12as,13s,15s,15as,16s,18as)-
(e,e)-(5s,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-2h-oxacyclotetradec(2,3-d)isoindole-2,18(5h)-dione
hsdb 3479
2h-oxacyclotetradecino(2,3-d)isoindole-2,18(5h)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (e,e)-(5s,9r,12as,13s,15s,15as,16s,18as)-
brn 1096207
einecs 239-000-2
24-oxa(14)cytochalasa-6(12),13,21-triene-1,23-dione, 7,20-dihydroxy-16-methyl-10-phenyl-, (7s,13e,16r,20r,21e)-
7(s),20(r)-dihydroxy-16(r)-methyl-10-phenyl-24-oxa(14)cytochalasa-6(12),13(e),21(e)-triene-1,23-dione
BSPBIO_001600
BCBCMAP01_000011
IDI1_034070
nsc-107658
nsc107658 ,
cytochalasin b
mls002703001 ,
cytochalasin b from drechslera dematioidea, >=98% (hplc), powder
NCGC00163439-02
NCGC00163439-01
LMPK11000002
HMS1989P22
CHEMBL411729
chebi:23527 ,
HMS1361P22
HMS1791P22
unii-3chi920qs7
ccris 9284
2h-oxacyclotetradecino(2,3-d)isoindole-2,18(5h)-dione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3e,5r,9r,11e,12as,13s,15s,15as,16s,18as)-
3chi920qs7 ,
C19954
cytochalasin beta,helminthosporium dematioideum
CCG-39777
cytochalasin b from drechslera dematioidea
rothweiler
cytochalasin b [hsdb]
2h-oxacyclotetradecino(2,3-d)isoindole-2,18(5h)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (e,e)-(5r,9r,12as,13s,15s,15as,16s,18as)-
cytochalasin b [mi]
2h-oxacyclotetradecino(2,3-d)isoindole-2,18(5h)-dione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (5r-(3e,5r*,9r*,11e,12as*,13s*,15s*,15as*,16s*,18as*))-
cytochalasin b from helminthosporium dematioideum
gtpl5334
AKOS025311470
REGID_FOR_CID_5311281
(3e,5r,9r,11e,12as,13s,15s,15as,16s,18as)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2h-oxacyclotetradecino[2,3-d]isoindole-2,18(5h)-dione
W-201323
(3e,5r,9r,11e,12as,13s,15s,15as,16s,18as)-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2h-oxacyclotetradecino[2,3-d]isoindole-2,18(5h)-dione
HMS3402P22
OPERA_ID_1877
mfcd00077704
CS-0012975
HY-16928
cytochalasin b from drechslera dematioidea, >=97.0% (hplc)
GBOGMAARMMDZGR-TYHYBEHESA-N
bdbm50478403
SCHEMBL20063279
DTXSID30893482
(1s,4e,6r,10r,12e,14s,15s,17s,18s,19s)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione
(3s,3as,4s,6s,6as,7e,10r,14r,15e,181s)-3-benzyl-6,14-dihydroxy-4,10-dimethyl-5-methylene-3,3a,4,5,6,6a,9,10,11,12,13,14-dodecahydro-1h-[1]oxacyclotetradeca[2,3-d]isoindole-1,17(2h)-dione
Q26998028
11032-95-4
cytochalasin b (phomin)
cytochalasin-b
(4z,12z)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

Roles (4)

RoleDescription
metaboliteAny intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
platelet aggregation inhibitorA drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
mycotoxinPoisonous substance produced by fungi.
actin polymerisation inhibitorAny substance that inhibits the polymerisation of the protein actin.

Drug Classes (4)

ClassDescription
cytochalasin
organic heterotricyclic compoundAn organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms.
lactamCyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
lactoneAny cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.

Pathways (1)

cytochalasin b is involved in 1 pathway(s), involving a total of 0 unique proteins and 25 unique compounds

PathwayProteinsCompounds
Drug induction of bile acid pathway025

Protein Targets (27)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
glp-1 receptor, partialHomo sapiens (human)Potency10.0000AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency60.4566AID588453
TDP1 proteinHomo sapiens (human)Potency0.9448AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency63.0957AID485364
Smad3Homo sapiens (human)Potency1.1220AID588855
PINK1Homo sapiens (human)Potency5.6234AID624263
67.9K proteinVaccinia virusPotency5.0119AID720579
ParkinHomo sapiens (human)Potency5.6234AID624263
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency100.0000AID504333
IDH1Homo sapiens (human)Potency1.2995AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency10.0000AID504332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency1.1220AID485313
chromobox protein homolog 1Homo sapiens (human)Potency56.2341AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency4.5530AID504444
mitogen-activated protein kinase 1Homo sapiens (human)Potency8.9125AID1454
ras-related protein Rab-9AHomo sapiens (human)Potency6.3096AID485297
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency19.9526AID588590
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency1.0000AID540303
plasminogen precursorMus musculus (house mouse)Potency1.0000AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency1.0000AID540303
gemininHomo sapiens (human)Potency5.2079AID624296; AID624297
survival motor neuron protein isoform dHomo sapiens (human)Potency11.2202AID1458
lamin isoform A-delta10Homo sapiens (human)Potency0.6310AID1487

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
neutrophil cytosol factor 1Homo sapiens (human)IC5050.0000AID1275
Solute carrier family 2, facilitated glucose transporter member 1Homo sapiens (human)IC504.1000AID1794830
Solute carrier family 2, facilitated glucose transporter member 3Homo sapiens (human)IC503.9000AID1794827
Solute carrier family 2, facilitated glucose transporter member 4Homo sapiens (human)IC503.9000AID1794828

Bioassays (125)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1782562Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability after 72 hrs by MTT assay2021Journal of natural products, 12-24, Volume: 84, Issue:12
ISSN: 1520-6025
AID401579Inhibition of LFA1/ICAM1-mediated HL60 cell aggregation2004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID354538Cytotoxicity against rat C6 cells at 50 ug/mL to 2.5 mg/mL after 3 days treated 4 hrs before db-cAMP challenge by MTT assay1996Journal of natural products, Dec, Volume: 59, Issue:12
ISSN: 0163-3864		Cell-based screen for identification of inhibitors of tubulin polymerization.
AID1091234Herbicidal activity against Sonchus arvensis (field sow-thistle) assessed as induction of leaf necrotic lesions measured 24 hr post compound treatment by leaf disk- puncture bioassay2008Journal of agricultural and food chemistry, Aug-13, Volume: 56, Issue:15
ISSN: 1520-5118		Production of phytotoxins by Phoma exigua var. exigua, a potential mycoherbicide against perennial thistles.
AID324484Increase in light chain 3-GFP+ autophagosome vesicle area per cell in human H4 cells at 5.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control2007Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48
ISSN: 1091-6490		Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID657282Cytotoxicity against human A549 cells after 48 hrs by SRB assay2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
ISSN: 1464-3405		Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai.
AID697852Inhibition of electric eel AChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
ISSN: 1464-3391		Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID657287Cytotoxicity against human HeLa cells after 48 hrs by SRB assay2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
ISSN: 1464-3405		Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai.
AID401584Specific index, ratio of IC50 for CHO cells to IC50 for LFA1/ICAM12004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID360015Inhibition of LFA1/ICAM1-mediated CFSE-labeled TPA-stimulated human HL60 cell adhesion to ICAM1 expressing human HeLa cells after 45 mins by fluorescence analysis2001Journal of natural products, May, Volume: 64, Issue:5
ISSN: 0163-3864		Antimalarial, cytotoxic, and antifungal alkaloids from Duguetia hadrantha.
AID409947Inhibition of human recombinant MAOB at 1 mM by fluorimetric method2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
ISSN: 1520-4804		Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID356103Cytotoxicity against human HL60 cells by XTT assay2003Journal of natural products, Jul, Volume: 66, Issue:7
ISSN: 0163-3864		Antiparasitic alkaloids from Psychotria klugii.
AID409952Inhibition of human brain MAOB2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
ISSN: 1520-4804		Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID360012Inhibition of LFA1/ICAM1-mediated aggregation of TPA-stimulated human HL60 cells pretreated 10 mins before TPA challenge measured after 16 hrs of PMA addition by microscopy2001Journal of natural products, May, Volume: 64, Issue:5
ISSN: 0163-3864		Antimalarial, cytotoxic, and antifungal alkaloids from Duguetia hadrantha.
AID401580Cytotoxicity against human HL60 cells by XTT assay2004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID337991Inhibition of actin polymerization in fMLP-stimulated human neutrophils assessed as positive fluorescence signal at 1 uM1994Journal of natural products, Nov, Volume: 57, Issue:11
ISSN: 0163-3864		Cucurbitacins, cell adhesion inhibitors from Conobea scoparioides.
AID401563Cytotoxicity against mouse RAW264.7 cells after 2 days by MTT assay2004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID657284Cytotoxicity against human SK-MEL-2 cells after 48 hrs by SRB assay2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
ISSN: 1464-3405		Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai.
AID657286Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
ISSN: 1464-3405		Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai.
AID1693699Antimigratory activity against human MDA-MB-231 cells assessed as minimum effective concentration by light microscopy2021Bioorganic & medicinal chemistry, 01-15, Volume: 30ISSN: 1464-3391In vitro and in vivo effects of inhibitors on actin and myosin.
AID337990Inhibition of actin polymerization in fMLP-stimulated human neutrophils assessed as positive fluorescence signal at 10 uM1994Journal of natural products, Nov, Volume: 57, Issue:11
ISSN: 0163-3864		Cucurbitacins, cell adhesion inhibitors from Conobea scoparioides.
AID324380Induction of light chain 3-GFP level in human H4 cells at 5.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control2007Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48
ISSN: 1091-6490		Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID356106Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis2003Journal of natural products, Jul, Volume: 66, Issue:7
ISSN: 0163-3864		Antiparasitic alkaloids from Psychotria klugii.
AID356107Specific index, ratio of IC50 for human HL60 cells to MIC for LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells2003Journal of natural products, Jul, Volume: 66, Issue:7
ISSN: 0163-3864		Antiparasitic alkaloids from Psychotria klugii.
AID1693690Inhibition of rabbit muscle G-actin polymerization assessed as polymerized G-actin level at 25 uM incubated for 15 mins by spectrophotometric analysis (Rvb = 100 %)2021Bioorganic & medicinal chemistry, 01-15, Volume: 30ISSN: 1464-3391In vitro and in vivo effects of inhibitors on actin and myosin.
AID45400Effect on cross resistance of CHO cells resistant to colchicine (CHRC5)1990Journal of medicinal chemistry, Jul, Volume: 33, Issue:7
ISSN: 0022-2623		Structure-activity relationships of antineoplastic agents in multidrug resistance.
AID409950Inhibition of human brain MAOA2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
ISSN: 1520-4804		Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID23271Partition coefficient (logD7.4)1990Journal of medicinal chemistry, Jul, Volume: 33, Issue:7
ISSN: 0022-2623		Structure-activity relationships of antineoplastic agents in multidrug resistance.
AID360013Cytotoxicity against human HL60 cells after 7 days by XTT/PMS assay2001Journal of natural products, May, Volume: 64, Issue:5
ISSN: 0163-3864		Antimalarial, cytotoxic, and antifungal alkaloids from Duguetia hadrantha.
AID354543Cytotoxicity against rat C6 cells assessed as cell release at 50 ug/mL to 2.5 mg/mL after 5 hrs by MTT assay in absence of db-cAMP1996Journal of natural products, Dec, Volume: 59, Issue:12
ISSN: 0163-3864		Cell-based screen for identification of inhibitors of tubulin polymerization.
AID657285Cytotoxicity against human XF498 cells after 48 hrs by SRB assay2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
ISSN: 1464-3405		Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai.
AID401586Specific index, ratio of IC50 for mouse RAW264.7 to IC50 for iNOS production in mouse RAW264.72004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID356105Specific index, ratio of IC50 for human HL60 cells to MIC for LFA1:CD11a/CD18/ICAM1- mediated aggregation in PMA-induced human HL60 cells2003Journal of natural products, Jul, Volume: 66, Issue:7
ISSN: 0163-3864		Antiparasitic alkaloids from Psychotria klugii.
AID657288Induction of mitochondrial apoptosis in human HeLa cells2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
ISSN: 1464-3405		Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai.
AID697853Inhibition of horse BChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
ISSN: 1464-3391		Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID401581Specific index, ratio of IC50 for human HL60 cells to MIC for LFA1/ICAM12004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID324432Increase in light chain 3-GFP+ autophagosome vesicle number per cell in human H4 cells at 5.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control2007Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48
ISSN: 1091-6490		Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID401585Inhibition of iNOS production in LPS-activated mouse RAW264.7 cells after 20 hrs2004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID1693700Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viability incubated for 4 hrs by neutral red uptake assay2021Bioorganic & medicinal chemistry, 01-15, Volume: 30ISSN: 1464-3391In vitro and in vivo effects of inhibitors on actin and myosin.
AID1693697Antimigratory activity against human MDA-MB-231 cells assessed as cell migration at 10 uM by light microscopy relative to control2021Bioorganic & medicinal chemistry, 01-15, Volume: 30ISSN: 1464-3391In vitro and in vivo effects of inhibitors on actin and myosin.
AID360016Specific index, ratio of IC50 for human HL60 cells to IC50 for LFA1/ICAM1-mediated CFSE-labeled TPA-stimulated human HL60 cell adhesion to ICAM1 expressing human HeLa cells2001Journal of natural products, May, Volume: 64, Issue:5
ISSN: 0163-3864		Antimalarial, cytotoxic, and antifungal alkaloids from Duguetia hadrantha.
AID1782561Antibacterial activity against Vibrio parahaemolyticus QDIO-8 assessed as reduction in microbial growth by microtiter plate reader assay2021Journal of natural products, 12-24, Volume: 84, Issue:12
ISSN: 1520-6025
AID356104Inhibition of LFA1:CD11a/CD18/ICAM1- mediated aggregation in PMA-induced human HL60 cells2003Journal of natural products, Jul, Volume: 66, Issue:7
ISSN: 0163-3864		Antiparasitic alkaloids from Psychotria klugii.
AID401582Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells2004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID360014Specific index, ratio of IC50 for human HL60 cells to MIC for LFA1/ICAM1 mediated aggregation in TPA-stimulated human HL60 cells2001Journal of natural products, May, Volume: 64, Issue:5
ISSN: 0163-3864		Antimalarial, cytotoxic, and antifungal alkaloids from Duguetia hadrantha.
AID657283Cytotoxicity against human SKOV3 cells after 48 hrs by SRB assay2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
ISSN: 1464-3405		Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai.
AID1693248Inhibition of GLUT in human HepG2 cells assessed as inhibition of 2-NBDG uptake at 10 uM incubated for 20 mins by fluorescence microplate reader2021Bioorganic & medicinal chemistry, 01-01, Volume: 29ISSN: 1464-3391Development of a novel acetyl glucose-modified gefitinib derivative to enhance the radiosensitizing effect.
AID1693688Inhibition of rabbit muscle F-actin depolymerization at 50 to 100 uM incubated for 15 mins by spectrophotometric analysis2021Bioorganic & medicinal chemistry, 01-15, Volume: 30ISSN: 1464-3391In vitro and in vivo effects of inhibitors on actin and myosin.
AID1693694Induction of cell morphological changes in human MDA-MB-231 cells assessed as membrane blebbing at 500 nM measured after 40 sec by inverted microscopy2021Bioorganic & medicinal chemistry, 01-15, Volume: 30ISSN: 1464-3391In vitro and in vivo effects of inhibitors on actin and myosin.
AID401583Cytotoxicity against CHO cells transfected with ICAM1 by MTT assay2004Journal of natural products, May, Volume: 67, Issue:5
ISSN: 0163-3864		A new antimalarial quassinoid from Simaba orinocensis.
AID1782564Cytotoxicity against human MCF7 cells assessed as reduction in cell viability after 72 hrs by MTT assay2021Journal of natural products, 12-24, Volume: 84, Issue:12
ISSN: 1520-6025
AID521884Induction of depolymerization of actin microfilaments in african green monkey Vero cells at 25 uM after 30 mins by immunofluorescence method2009Nature chemical biology, Mar, Volume: 5, Issue:3
ISSN: 1552-4469		Golgicide A reveals essential roles for GBF1 in Golgi assembly and function.
AID1693701Cardiotoxicity in medaka embryo post hatching 24 hrs assessed as reduction in heart beat at 10 uM measured after 1 hr2021Bioorganic & medicinal chemistry, 01-15, Volume: 30ISSN: 1464-3391In vitro and in vivo effects of inhibitors on actin and myosin.
AID354542Inhibition of tubulin polymerization in rat C6 cells at 50 ug/mL to 2.5 mg/mL after 4 hrs1996Journal of natural products, Dec, Volume: 59, Issue:12
ISSN: 0163-3864		Cell-based screen for identification of inhibitors of tubulin polymerization.
AID324536Increase in light chain 3-GFP+ autophagosome vesicle intensity per cell in human H4 cells at 5.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control2007Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48
ISSN: 1091-6490		Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID1091233Herbicidal activity against Cirsium arvense (Canada thistle) assessed as induction of leaf necrotic lesions measured 24 hr post compound treatment by leaf disk- puncture bioassay2008Journal of agricultural and food chemistry, Aug-13, Volume: 56, Issue:15
ISSN: 1520-5118		Production of phytotoxins by Phoma exigua var. exigua, a potential mycoherbicide against perennial thistles.
AID1782563Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 72 hrs by MTT assay2021Journal of natural products, 12-24, Volume: 84, Issue:12
ISSN: 1520-6025
AID1436775Inhibition of GLUT in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose addition in presence of choline buffer measured after 1 hr by resazurin dye based fluorescence assay2017Journal of medicinal chemistry, 01-26, Volume: 60, Issue:2
ISSN: 1520-4804		Targeting Type 2 Diabetes with C-Glucosyl Dihydrochalcones as Selective Sodium Glucose Co-Transporter 2 (SGLT2) Inhibitors: Synthesis and Biological Evaluation.
AID1436782Inhibition of GLUT in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose addition in presence of sodium buffer measured after 1 hr by resazurin dye based fluorescence assay2017Journal of medicinal chemistry, 01-26, Volume: 60, Issue:2
ISSN: 1520-4804		Targeting Type 2 Diabetes with C-Glucosyl Dihydrochalcones as Selective Sodium Glucose Co-Transporter 2 (SGLT2) Inhibitors: Synthesis and Biological Evaluation.
AID405970Effect on morphology in human A498 cells assessed as appearance of binucleated cells after 16 hrs by microfilament immunofluorescence assay2008Bioorganic & medicinal chemistry, Jul-01, Volume: 16, Issue:13
ISSN: 1464-3391		Synthetic and pharmacological studies on new simplified analogues of the potent actin-targeting Jaspamide.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347354UWB1.289-WTBRCA1 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347402qHTS for inhibitors of Rabies Virus screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347347UWB1.289 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347358HPAF-II 12hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347396qHTS for inhibitors of Wild type Zika virus screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347392qHTS for activators of dead-cell proteases activity screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347351U-118MG Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347352COV-362 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347369MCF7 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347401Redox Reaction Profiling qHTS: Assay Interference Panel against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347373qHTS for Constitutive Androstane Receptor (CAR) Agonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347360HPAF-II 18hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347368G06 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID134737610-beta competent E. coli microbial cell viability qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347372qHTS for Constitutive Androstane Receptor (CAR) Antagonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347363Firefly luciferase counterscreen qHTS: Assay Interference Panel against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347348OV-SAHO Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347381Inflammasome Signaling qHTS Counterscreen: IL-1-beta AlphaLISA counterscreen against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347380qHTS for Antimalaria activity screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347355HEK-293 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347393qHTS for inhibitors of ER calcium dysfunction: SERCaMP assay screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347350SW1088 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347388qHTS for Activators of p53 Stress Response Pathway screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347370qHTS for ATAD5 Antagonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347387Cytotoxicity qHTS for assessment of Hepg2 cells membrane integrity screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347349Panc-1005 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347365SDT Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347356HPAF-II 24hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347374qHTS for Hypoxia signaling pathway (HIF-1) antagonists against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347390Secretion counterscreen for inhibitors of the SERCaMP assay screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347379qHTS for Inflammasome Signaling Inhibitors: IL-1-beta AlphaLISA screen against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347391qHTS for activators of Nrf2/ARE signaling pathway screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347345OV-KATE Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347394Vero-766 cells viability qHTS against the NCATS CANVASS Library: Counterscreen for Zika virus inhibition assay2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347366KB-3-1 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347375qHTS for Hypoxia signaling pathway (HIF-1) agonists against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347367qHTS for ATAD5 Agonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347378qHTS for H2AX Agonists against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347389qHTS assay for small molecule disruptors of mitochondrial membrane potential screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347353A2780 Cisplatin Sensitive Ovarian Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347377DH5-alpha competent E. coli microbial cell viability qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347364KB-8-5-11 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347361HEK293 12hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347362Diaphorse counterscreen qHTS: Assay Interference Panel against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347357HEK293 18hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347400Viability qHTS for inhibitors of the SERCaMP assay screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347371J3T Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347346HPAF-II Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347359HEK293 24hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
ISSN: 2374-7943		Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096		High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405		Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID1224864HCS microscopy assay (F508del-CFTR)2016PloS one, , Volume: 11, Issue:10
ISSN: 1932-6203		Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.

Research

Studies (4,972)

TimeframeStudies, This Drug (%)All Drugs %
pre-19902855 (57.42)18.7374
1990's1258 (25.30)18.2507
2000's587 (11.81)29.6817
2010's243 (4.89)24.3611
2020's29 (0.58)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials4 (0.08%)5.53%
Reviews90 (1.77%)6.00%
Case Studies4 (0.08%)4.05%
Observational0 (0.00%)0.25%
Other4,990 (98.07%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
cytochalasin a
0
cytochalasin00low000000
(3E,9E)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione
0
cytochalasinfungal metabolite00low000000
5-methoxypsoralen
0
5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite		00low000000
beta-naphthoflavone
0
extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist00low000000
etodolac
0
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
fluorescite
0
benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium		00low000000
ketotifen
0
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist		00low000000
khellin
0
furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent		00low000000
oxolinic acid
0
aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor		00low000000
ro 15-4513
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound		00low000000
skimmianine
0
alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
benzo(b)naphtho(2,1-d)thiophene
0
organic heterotricyclic compound;
organosulfur heterocyclic compound		00low000000
kokusaginine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
cytisine
0
alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite		00low000000
alpha-naphthoflavone
0
extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
naftalofos
0
organic heterotricyclic compoundanthelminthic drug00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
ancitabine
0
diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug		00low000000
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine
0
N-alkylpiperazine;
organic heterotricyclic compound		00low000000
colforsin
53
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		1985201330.4low01531520
nedocromil
0
dicarboxylic acid;
organic heterotricyclic compound		anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug		00low000000
naxagolide
0
organic heterotricyclic compound;
phenols;
tertiary amino compound		anticonvulsant;
antiparkinson drug;
dopamine agonist		00low000000
depsidone
0
depsidones;
organic heterotricyclic compound		00low000000
droxicam
0
organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug		00low000000
dictamnine
0
alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
flindersiamine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
flindersine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
maculine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
zaluzanin C
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
alpha-lapachone
0
organic heterotricyclic compound;
organooxygen compound		00low000000
dehydrocostus lactone
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		00low000000
Evoxine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
galaxolide
0
isochromenes;
organic heterotricyclic compound		fragrance00low000000
aurofusarin
0
organic heterotricyclic compound;
organooxygen compound		00low000000
geographutoxin i
0
organic heterotricyclic compoundmarine metabolite00low000000
gamma-fagarine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
1,9-dideoxyforskolin
0
acetate ester;
labdane diterpenoid;
organic heterotricyclic compound		plant metabolite00low000000
paspaline
0
organic heterotricyclic compound;
organooxygen compound		00low000000
salvinorin a
0
organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen		00low000000
sch 45752
0
organic heterotricyclic compound;
organooxygen compound		00low000000
pannarin
0
aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite		00low000000
mirestrol
0
organic heterotricyclic compound;
organooxygen compound		00low000000
confertin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
inuviscolide
0
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone;
tertiary alcohol		anti-inflammatory agent;
plant metabolite		00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
fk 1052
0
imidazoles;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
aromaticin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
aglafoline
0
methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor		00low000000
cimifugin
0
organic heterotricyclic compound;
oxacycle		00low000000
khelloside
0
organic heterotricyclic compound;
oxacycle		00low000000
columbin
0
organic heterotricyclic compound;
organooxygen compound		00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
cleomiscosin a
0
aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite		00low000000
Dubinidine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
colforsin daropate
0
acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent		00low000000
thapsigargin
5
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		1997200621.8low002300
reynosin
0
organic heterotricyclic compound;
sesquiterpene lactone		metabolite00low000000
5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione
0
organic heterotricyclic compound;
spiro compound		00low000000
vedelianin
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
plant metabolite		00low000000
haplamine
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
(2R)-1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester
0
organic heterotricyclic compound00low000000
2-oxo-3-benzo[h][1]benzopyrancarboxylic acid ethyl ester
0
organic heterotricyclic compound;
organooxygen compound		00low000000
huperzine a
0
organic heterotricyclic compound;
primary amino compound;
pyridone;
sesquiterpene alkaloid		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent;
nootropic agent;
plant metabolite		00low000000
CHIC-35
0
aromatic compound;
organic heterotricyclic compound;
organochlorine compound;
primary carboxamide		EC 3.5.1.98 (histone deacetylase) inhibitor00low000000
3-imino-2-benzo[f][1]benzopyrancarbothioamide
0
organic heterotricyclic compound;
organooxygen compound		00low000000
2-benzamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
0
organic heterotricyclic compound;
organosulfur heterocyclic compound		00low000000
3-(3-oxo-2-benzo[f][1]benzopyranyl)-1-phenyl-4-pyrazolecarboxaldehyde
0
organic heterotricyclic compound;
organooxygen compound		00low000000
2-benzo[b][1]benzoxepinamine
0
organic heterotricyclic compound00low000000
LSM-33589
0
organic heterotricyclic compound;
organosulfur heterocyclic compound		00low000000
2-(difluoromethyl)-4-benzo[h][1]benzopyranone
0
organic heterotricyclic compound;
organooxygen compound		00low000000
bigelovin
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite		00low000000
momilactone b
0
organic heterotricyclic compound;
organooxygen compound		00low000000
quinagolide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound		00low000000
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
0
organic heterotricyclic compound;
organofluorine compound;
pyridines;
secondary amino compound		00low000000
uccf-029
0
organic heterotricyclic compound;
organooxygen compound		00low000000
4-[oxo-(4-oxo-5H-thieno[3,2-c]quinolin-2-yl)methyl]-1-piperazinecarboxylic acid ethyl ester
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		00low000000
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
1-[(6-methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
N-[2-(dipropylamino)ethyl]-4-methyl-2-furo[3,2-c]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
6-methoxy-N-(thiophen-2-ylmethyl)-2-furo[2,3-b]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
LSM-1924
0
organic heterotricyclic compound;
organooxygen compound		00low000000
LSM-22738
0
organic heterotricyclic compound;
organooxygen compound		00low000000
7-methoxy-N-(3-pyridinylmethyl)-2-furo[2,3-b]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
LSM-26445
0
organic heterotricyclic compound;
organooxygen compound		00low000000
LSM-1925
0
organic heterotricyclic compound;
organooxygen compound		00low000000
acetic acid [1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-hydroxy-3-methylbutan-2-yl] ester
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
LSM-25964
0
organic heterotricyclic compound;
organooxygen compound		00low000000
N-(3-oxo-2-benzo[f][1]benzopyranyl)acetamide
0
organic heterotricyclic compound;
organooxygen compound		00low000000
chanoclavine
0
benzoindole;
ergot alkaloid;
organic heterotricyclic compound;
primary alcohol;
secondary amino compound		00low000000
riddelliine
0
macrodiolide;
olefinic compound;
organic heterotricyclic compound;
pyrrolizine alkaloid		carcinogenic agent;
genotoxin;
mutagen		00low000000
irilone
0
hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite		00low000000
heliparvifoline
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
sirolimus
2
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		201420159.5low000020
5-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-2-thieno[3,2-c]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		00low000000
8-methyl-1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-4-[1]benzopyrano[4,3-c]pyrazolone
0
organic heterotricyclic compound00low000000
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone
0
morpholines;
naphthyl ketone;
organic heterotricyclic compound;
synthetic cannabinoid		analgesic;
apoptosis inhibitor;
neuroprotective agent		00low000000
methyl brevifolincarboxylate
0
cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent		00low000000
palonosetron
0
azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist		00low000000
himbacine
0
gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid		muscarinic antagonist00low000000
riddelliine n-oxide
0
diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite		00low000000
chaetoviridin a
0
azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		antifungal agent;
Chaetomium metabolite		00low000000
tremortin a
0
organic heterotricyclic compound;
organooxygen compound		00low000000
4-methyl-N-[(4-methylphenyl)methyl]-2-furo[3,2-c]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
beraprost
0
enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent		00low000000
jwh-133
0
benzochromene;
dibenzopyran;
organic heterotricyclic compound		analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent		00low000000
nu 7026
0
organic heterotricyclic compound;
organooxygen compound		00low000000
pi103
0
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
terpendole e
0
organic heterotricyclic compound;
organooxygen compound		00low000000
epicocconone
0
organic heterotricyclic compoundfluorochrome00low000000
pentalenolactone f
0
alpha,beta-unsaturated monocarboxylic acid;
organic heterotricyclic compound;
sesquiterpene lactone;
spiro-epoxide		bacterial metabolite00low000000
jnj16259685
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
episilvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
silvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
4-chloro-N-(3,4-dimethoxyphenyl)-2-thieno[3,2-c]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		00low000000
monascin
0
alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide		antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist		00low000000
batzelladine a
0
alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite		00low000000
prim-o-glucosylcimifugin
0
organic heterotricyclic compound;
oxacycle		00low000000
4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		00low000000
schweinfurthin g
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite		00low000000
8-methyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5H-thieno[3,2-c]quinoline-2-carboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		00low000000
N,8-dimethyl-N-(3-methylphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		00low000000
N-[2-(dipropylamino)ethyl]-5-ethyl-4-oxo-2-thieno[3,2-c]quinolinecarboxamide
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		00low000000
schweinfurthin f
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		metabolite00low000000
thallusin
0
organic heterotricyclic compound;
organooxygen compound		00low000000
aflatrem
0
organic heterotricyclic compound;
organooxygen compound		00low000000
dihydroagarofuran
0
bridged compound;
cyclic ether;
eudesmane sesquiterpenoid;
organic heterotricyclic compound		metabolite00low000000
4'-epichaetoviridin A
0
azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		Chaetomium metabolite00low000000
arenaemycin e
0
alpha,beta-unsaturated monocarboxylic acid;
organic heterotricyclic compound;
sesquiterpene lactone;
spiro-epoxide		antimicrobial agent;
bacterial metabolite;
EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor		00low000000
mk 2206
0
organic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor00low000000
chaetoviridin E
0
azaphilone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound		Chaetomium metabolite00low000000
LSM-1873
0
organic heterotricyclic compound;
organooxygen compound		00low000000
LSM-1834
0
organic heterotricyclic compound;
organooxygen compound		00low000000
LSM-1287
0
organic heterotricyclic compound;
organooxygen compound		00low000000
LSM-1675
0
organic heterotricyclic compound;
organooxygen compound		00low000000
LSM-1312
0
organic heterotricyclic compound;
organooxygen compound		00low000000
LSM-1315
0
organic heterotricyclic compound;
organooxygen compound		00low000000
debromoaplysiatoxin
0
aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist		00low000000
aplysiatoxin
0
aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist		00low000000
gonyautoxin v
0
organic heterotricyclic compound;
paralytic shellfish toxin		marine metabolite00low000000
4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione
0
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		00low000000
gsk1265744
0
difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide		HIV-1 integrase inhibitor00low000000
dolutegravir
0
difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide		HIV-1 integrase inhibitor00low000000
pelabresib
0
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		00low000000
gonyautoxin ii
0
organic heterotricyclic compound;
paralytic shellfish toxin		marine metabolite00low000000
8-epidiosbulbin e acetate
0
organic heterotricyclic compound;
organooxygen compound		00low000000
conocurvone
0
organic heterotricyclic compound;
organooxygen compound		00low000000
scytonemin
0
enone;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
polyphenol;
ring assembly		bacterial metabolite;
biological pigment;
ultraviolet filter		00low000000
liproxstatin-1
0
azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger		00low000000
phenanthridone
0
lactam;
phenanthridines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen		00low000000
chlormezanone
0
1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant		00low000000
cilostazol
0
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
dilacor xr
0
acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound		00low000000
nsc 664704
0
indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector		00low000000
n-methylpyrrolidone
0
lactam;
N-alkylpyrrolidine;
pyrrolidin-2-ones		polar aprotic solvent00low000000
2-hydroxy-1,4-benzoxazin-3-one
0
benzoxazine;
lactam;
lactol		allelochemical;
plant metabolite		00low000000
paullone
0
indolobenzazepine;
lactam		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor		00low000000
palustrine
0
azamacrocycle;
lactam		00low000000
pf 1163a
0
aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite		00low000000
pf 1163b
0
aromatic ether;
lactam;
macrolide antibiotic		antifungal agent;
Penicillium metabolite		00low000000
tentoxin
0
lactam00low000000
thiocillin
0
azamacrocycle;
lactam		00low000000
mycotrienin i
0
azamacrocycle;
lactam		00low000000
herbimycin
0
1,4-benzoquinones;
lactam;
macrocycle		antimicrobial agent;
apoptosis inducer;
herbicide;
Hsp90 inhibitor;
tyrosine kinase inhibitor		00low000000
benazepril
0
benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
streptogramin a
0
1,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide		antibacterial drug;
Mycoplasma genitalium metabolite		00low000000
benazeprilat
0
benzazepine;
dicarboxylic acid;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor00low000000
rifamycin sv
0
acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite		00low000000
rifaximin
0
acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug		00low000000
vicenistatin
0
azamacrocycle;
lactam		00low000000
ixabepilone
0
1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent		00low000000
1-azakenpaullone
0
lactam;
organic heterotetracyclic compound;
organobromine compound;
organonitrogen heterocyclic compound		EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator		00low000000
lactacystin
0
lactam;
S-substituted L-cysteine		00low000000
pseurotin
0
azaspiro compound;
lactam;
oxaspiro compound		metabolite00low000000
tmc-95a
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor		00low000000
rivaroxaban
0
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		00low000000
zotarolimus
0
lactam;
macrolide		00low000000
apixaban
0
aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		00low000000
ly 411575
0
dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor00low000000
tmc-95b
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor		00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
chaetominine
0
indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite00low000000
umirolimus
0
lactam;
macrolide		00low000000
simeprevir
0
azamacrocycle;
lactam		00low000000
grazoprevir
0
aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent		00low000000
ro 4929097
0
dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound		EC 3.4.23.46 (memapsin 2) inhibitor00low000000
N-[(4-chlorophenyl)methyl]-2-[(2R,6S)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
0
azamacrocycle;
lactam		00low000000
creatinine
0
imidazolidinone;
lactam		diagnostic agent;
human metabolite		00low000000
gibberellic acid
0
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite		00low000000
xi-gamma-Undecalactone
0
lactone00low000000
peucedanin
0
aromatic ether;
furanocoumarin;
lactone		plant metabolite00low000000
oxypeucadanin, (s)-(-)-isomer
0
epoxide;
furanocoumarin;
lactone		plant metabolite00low000000
epsilon-decalactone
0
lactone00low000000
ecteinascidin 743
0
acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite		00low000000
4-pyridoxic acid lactone
0
furopyridine;
lactone		00low000000
beta-peltatin a methyl ether
0
lactone;
lignan		00low000000
limonin
0
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		00low000000
gentianine
0
lactone;
pyranopyridine;
pyridine alkaloid		00low000000
eugeniin
0
beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
gibberellin a1
0
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone		plant metabolite00low000000
senecionine
0
lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite00low000000
ellagic acid
0
catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent		00low000000
vorapaxar
0
carbamate ester;
lactone;
naphthofuran;
organofluorine compound;
pyridines		cardiovascular drug;
platelet aggregation inhibitor;
protease-activated receptor-1 antagonist		00low000000
physalin b
0
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimicrobial agent;
antineoplastic agent		00low000000
gedunin
0
acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid		antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite		00low000000
lycojapodine a
0
alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
physalin f
0
enone;
epoxy steroid;
lactone;
physalin		antileishmanial agent;
antimalarial;
antineoplastic agent;
apoptosis inducer;
immunosuppressive agent		00low000000
physalin g
0
6alpha-hydroxy steroid;
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial00low000000
callipeltin a
0
cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite		00low000000
physalin d
0
5alpha-hydroxy steroid;
6beta-hydroxy steroid;
cyclic ether;
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimycobacterial drug;
antineoplastic agent		00low000000
siagoside
0
lactone;
sialotetraosylceramide		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
alpha-hydroxyglutarate
0
2-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite		00low000000
alpha-isopropylmalate
0
2-hydroxy carboxylic acid;
3-hydroxy carboxylic acid;
dicarboxylic acid		metabolite00low000000
acetoacetic acid
0
3-oxo fatty acid;
ketone body		metabolite00low000000
3-hydroxybenzyl alcohol
0
hydroxybenzyl alcohol;
phenols		metabolite00low000000
n-carbamoyl-beta-alanine
0
beta-alanine derivativemetabolite;
mouse metabolite		00low000000
ethylene glycol
4
ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin		2002200918.0low000400
acetoin
0
methyl ketone;
secondary alpha-hydroxy ketone		metabolite00low000000
ammonium hydroxide
3
azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant		1977198046.0low030000
benzyl alcohol
1
benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent		1990199034.0low001000
carbon monoxide
1
carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent		1987198737.0low010000
formic acid
0
monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent		00low000000
4-hydroxymandelic acid
0
2-hydroxy carboxylic acid;
phenols		metabolite00low000000
aminoethylphosphonic acid
0
phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite		00low000000
hydrogen sulfide
0
gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent		00low000000
4-aminophenol
0
aminophenolallergen;
metabolite		00low000000
n(1)-acetylspermidine
0
acetylspermidineEscherichia coli metabolite;
metabolite		00low000000
aminocaproic acid
0
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite		00low000000
dihydrouracil
0
pyrimidoneEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		00low000000
dihydroxyacetone
0
ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
dimethylamine
0
methylamines;
secondary aliphatic amine		metabolite00low000000
glycolic acid
0
2-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite		00low000000
hydantoin-5-propionic acid
0
imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
niacinamide
5
pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor		1992200925.8low003200
niacin
1
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2002200222.0low000100
orotic acid
0
pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
oxaloacetic acid
0
C4-dicarboxylic acid;
oxo dicarboxylic acid		geroprotector;
metabolite		00low000000
porphobilinogen
0
aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
1-propanol
0
propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent		00low000000
trimethyloxamine
0
tertiary amine oxideEscherichia coli metabolite;
metabolite;
osmolyte		00low000000
6-hydroxymelatonin
0
acetamides;
tryptamines		metabolite;
mouse metabolite		00low000000
n-acetylphenylalanine
0
N-acetyl-amino acid;
phenylalanine derivative		antidepressant;
metabolite		00low000000
n-acetyltryptophan
0
N-acetyl-amino acid;
tryptophan derivative		metabolite00low000000
arecoline
1
enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist		2007200717.0low000100
aristolochic acid i
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
berberine
0
alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker		00low000000
dibutyl phthalate
0
diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent		00low000000
hydroxymethyltolbutamide
0
benzyl alcohols;
sulfonamide;
ureas		metabolite00low000000
methyl salicylate
0
benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite		00low000000
myristicin
0
organic molecular entitymetabolite00low000000
phenmetrazine
0
morpholinesmetabolite;
sympathomimetic agent		00low000000
phenylbutazone
5
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		1973198744.0low050000
safrole
1
benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite		2009200915.0low000100
2,2'-thiodiethanol
0
aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent		00low000000
sorbitol
4
glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent		1975199341.0low031000
alloxan
4
pyrimidonehyperglycemic agent;
metabolite		1975197947.0low040000
thymidine
51
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		1972200144.9low0463200
glutamine
7
amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1975201531.3low031120
allyl isothiocyanate
0
alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite		00low000000
n-methyltryptamine
0
tryptamine alkaloid;
tryptamines		metabolite00low000000
4-deoxypyridoxine
0
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine		metabolite00low000000
cycloserine
0
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist		00low000000
17-alpha-hydroxyprogesterone
0
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		00low000000
mannitol
25
mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent		1975200829.4low0511900
phenacyl bromide
0
acetophenones;
alpha-bromoketone		metabolite00low000000
trichloroacetic acid
0
monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
acrylic acid
0
alpha,beta-unsaturated monocarboxylic acidmetabolite00low000000
n-methylacetamide
0
acetamides;
monocarboxylic acid amide		metabolite00low000000
bis(4-hydroxyphenyl)sulfone
0
bisphenol;
sulfone		endocrine disruptor;
metabolite		00low000000
rotenone
7
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		1974201430.3low031120
7-amino-4-hydroxy-2-naphthalenesulfonic acid
0
aminonaphthalenesulfonic acid;
naphthols		metabolite00low000000
methyl benzoate
0
benzoate ester;
methyl ester		insect attractant;
metabolite		00low000000
2-dichlorobenzene
0
dichlorobenzenehepatotoxic agent;
metabolite		00low000000
2,4-diaminotoluene
0
aminotoluenemetabolite00low000000
4-butyrolactone
0
butan-4-olidemetabolite;
neurotoxin		00low000000
sulfosalicylic acid
0
arenesulfonic acid;
benzoic acids;
phenols		metabolite00low000000
ethyl lactate
0
ethyl ester;
lactate ester;
secondary alcohol		metabolite00low000000
furaldehyde
0
aldehyde;
furans		Maillard reaction product;
metabolite		00low000000
thiophene-2-carboxaldehyde
0
aldehyde;
thiophenes		metabolite00low000000
alpha-resorcylic acid
0
dihydroxybenzoic acid;
resorcinols		metabolite00low000000
methylenebis(chloroaniline)
0
chloroanilinemetabolite00low000000
2-phenylethyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
dibenzyl ether
0
benzyl ethermetabolite00low000000
ethyl propionate
0
propanoate estermetabolite00low000000
citronellal
0
aldehyde;
monoterpenoid		antifungal agent;
metabolite		00low000000
ethyl oenanthate
0
fatty acid ethyl estermetabolite00low000000
ethyl caprylate
0
fatty acid ethyl ester;
octanoate ester		metabolite00low000000
ethyl laurate
0
fatty acid ethyl estermetabolite00low000000
acetic anhydride
0
acyclic carboxylic anhydridemetabolite;
reagent		00low000000
ethyl isovalerate
0
fatty acid ethyl ester;
olefinic compound		metabolite00low000000
n-butyl n-butyrate
0
butyrate estermetabolite00low000000
ethyl decanoate
0
decanoate ester;
fatty acid ethyl ester		metabolite00low000000
methyl octanoate
0
fatty acid methyl ester;
octanoate ester		metabolite00low000000
2-octanone
0
methyl ketonemetabolite00low000000
hexylamine
0
primary aliphatic aminemetabolite00low000000
lauric acid methyl ester
0
dodecanoate ester;
fatty acid methyl ester		metabolite00low000000
octylamine
0
primary aliphatic aminemetabolite00low000000
n-decyl alcohol
0
decanol;
primary alcohol		metabolite;
pheromone;
protic solvent		00low000000
methyl palmitate
0
fatty acid methyl estermetabolite00low000000
maltol
0
4-pyranonesmetabolite00low000000
chloranil
0
1,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite		00low000000
dibenzoylmethane
0
aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite		00low000000
methyl anthranilate
0
benzoate esterflavouring agent;
metabolite		00low000000
benzyl acetate
0
acetate ester;
benzyl ester		metabolite00low000000
ethyl acetate
0
acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite		00low000000
dibenzyl disulfide
0
organic aromatic compound;
organic disulfide		metabolite00low000000
mequinol
0
methoxybenzenes;
phenols		metabolite00low000000
gamma-resorcylic acid
0
dihydroxybenzoic acidmetabolite00low000000
kynuramine
0
kynurenamines;
primary amino compound		metabolite00low000000
5-methylpyrazole-3-carboxylic acid
0
monocarboxylic acid;
pyrazoles		metabolite00low000000
4-trifluoromethylaniline
0
(trifluoromethyl)benzenes;
substituted aniline		metabolite00low000000
methylguanidine
0
guanidinesEC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite;
uremic toxin		00low000000
liriodenine
0
alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
plumbagin
0
hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite		00low000000
imperatorin
0
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
osthol
0
botanical anti-fungal agent;
coumarins		metabolite00low000000
Dillapiole
0
benzodioxolesmetabolite00low000000
coumaran
0
1-benzofuransmetabolite00low000000
1,3-propanediol
0
propane-1,3-diolsmetabolite;
protic solvent		00low000000
tridecanedioic acid
0
alpha,omega-dicarboxylic acidmetabolite00low000000
physcione
0
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite		00low000000
apiole
0
benzodioxolesmetabolite00low000000
flavone
0
flavonesmetabolite;
nematicide		00low000000
cetyl palmitate
0
hexadecanoate estermetabolite00low000000
n-amyl butyrate
0
butyrate estermetabolite00low000000
3-aminobutyric acid
0
amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite00low000000
methyl lactate
0
lactate ester;
methyl ester		metabolite00low000000
paeonol
0
methoxybenzenes;
phenols		metabolite00low000000
2,2-dimethylbutyric acid
0
dimethylbutyric acidmetabolite00low000000
2-chloroacrylic acid
0
alpha,beta-unsaturated monocarboxylic acid;
chlorocarboxylic acid		metabolite00low000000
galactitol
0
hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		00low000000
1-methyluracil
0
nucleobase analogue;
pyrimidone		metabolite00low000000
2-pyrrolidone
0
pyrrolidin-2-onesmetabolite;
polar solvent		00low000000
n-ethylacetamide
0
acetamidesmetabolite00low000000
6-methyluracil
0
pyrimidonemetabolite00low000000
3-methylglutaric acid
0
alpha,omega-dicarboxylic acidmetabolite00low000000
amyl acetate
0
acetate estermetabolite00low000000
dibenzothiophene 5-oxide
0
dibenzothiophenesmetabolite00low000000
2-acetamidoethanethiol
0
acetamidesmetabolite00low000000
2-hydroxyquinoxaline
0
hydroxyquinoxalinemetabolite00low000000
3,4-dihydroxyacetophenone
0
acetophenones;
catechols;
dihydroxyacetophenone		metabolite00low000000
methyl hippurate
0
glycine derivative;
methyl ester		metabolite00low000000
isobarbaloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
vincamine
0
alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent		00low000000
methyl tert-butyl ether
0
etherfuel additive;
metabolite;
non-polar solvent		00low000000
4-octylphenol
0
phenolsmetabolite;
surfactant;
xenoestrogen		00low000000
dronabinol
2
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic		1982200829.0low010100
phenethyl isothiocyanate
0
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite		00low000000
2-methoxy-1,4-naphthoquinone
0
1,4-naphthoquinones;
enol ether		antimicrobial agent;
metabolite;
plant metabolite		00low000000
aviprin
0
furanocoumarinmetabolite00low000000
hydroxyphenytoin
0
imidazolidine-2,4-dione;
phenols		metabolite00low000000
squaric acid
0
alicyclic ketone;
carbon oxoacid		metabolite00low000000
methyl methanethiosulfonate
0
sulfonic acid derivative;
thiosulfonate ester		metabolite00low000000
arabinofuranosyluracil
0
N-glycosyl compoundmetabolite00low000000
6-aminonicotinic acid
0
aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite00low000000
mannose
18
D-aldohexose;
D-mannose;
mannopyranose		metabolite1977201428.1low056610
2,3-hexanedione
0
alpha-diketonemetabolite00low000000
tabersonine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite		00low000000
3,3-dimethylglutarate
0
alpha,omega-dicarboxylic acidmetabolite00low000000
raspberry ketone
0
methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite		00low000000
laurolitsine
0
aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite		00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
diethyl malate
0
malate estermetabolite00low000000
carbendazim
0
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent		00low000000
glucoheptonate
0
carbohydrate acid;
monocarboxylic acid		metabolite00low000000
deslanoside
0
12beta-hydroxy steroid;
14beta-hydroxy steroid;
cardenolide glycoside;
tetrasaccharide derivative		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite		00low000000
streptozocin
0
N-acylglucosamine;
N-nitrosoureas		antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite		00low000000
pedalitin
0
monomethoxyflavone;
tetrahydroxyflavone		EC 1.17.3.2 (xanthine oxidase) inhibitor;
metabolite		00low000000
ethyl nonanoate
0
fatty acid ethyl estermetabolite00low000000
ethyl hexanoate
0
fatty acid ethyl ester;
hexanoate ester		metabolite00low000000
butyl acetate
0
acetate estermetabolite00low000000
1,4-dioxane
0
dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent		00low000000
isoamyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
ribostamycin
0
amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite		00low000000
tramadol
0
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor		00low000000
6-pentylpyrone
0
2-pyranonesmetabolite00low000000
paclitaxel
70
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		1981201529.0low020381020
4-methylhistamine
0
aralkylamino compound;
imidazoles		histamine agonist;
metabolite		00low000000
perfosfamide
0
nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide		alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite		00low000000
castanospermine
0
indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite		00low000000
pravastatin
0
3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic		00low000000
3-methyl-2-butenal
0
enalmetabolite00low000000
ethyl 3-hydroxybutyrate
0
fatty acid ethyl estermetabolite00low000000
4,5-dimethyl-3-hydroxy-2(5h)-furanone
0
butenolidemetabolite00low000000
n-methylnicotinamide
0
pyridinecarboxamidemetabolite00low000000
3-aminoisobutyric acid
0
amino acid zwitterion;
beta-amino acid		metabolite00low000000
platanic acid
0
hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid		anti-HIV agent;
metabolite		00low000000
2'-deoxyuridylic acid
0
deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
gallocatechol
0
gallocatechinantioxidant;
metabolite;
radical scavenger		00low000000
1-methylinosine
0
inosinesmetabolite00low000000
dihydrobetulinic acid
0
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
antileishmanial agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite		00low000000
bergenin
0
trihydroxybenzoic acidmetabolite00low000000
2-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		00low000000
3'-cmp
0
cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
xanthoxyletin
0
coumarinsmetabolite00low000000
pinocembrin
0
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		00low000000
orsellinic acid
0
dihydroxybenzoic acid;
resorcinols		fungal metabolite;
marine metabolite;
metabolite		00low000000
isoimperatorin
0
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
rotenolone
0
organic molecular entitymetabolite00low000000
seselin
0
coumarinsmetabolite00low000000
perillene
0
furans;
monoterpenoid		fragrance;
metabolite;
semiochemical		00low000000
glycine methyl ester
0
glycinyl estermetabolite00low000000
hexadecanamide
0
primary fatty amidemetabolite00low000000
benzocyclobutene
0
carbobicyclic compoundmetabolite00low000000
9-methyladenine
0
methyladeninemetabolite00low000000
n'-methyl-2-pyridone-5-carboxamide
0
methylpyridines;
pyridinecarboxamide;
pyridone		metabolite;
mouse metabolite		00low000000
1,3-dimethyluracil
0
pyrimidonemetabolite00low000000
3-methoxysalicylic acid
0
methoxysalicylic acidmetabolite00low000000
1,3-dimethyluric acid
0
oxopurinemetabolite00low000000
leucyltyrosine
0
dipeptidemetabolite00low000000
3-methylxanthine
0
3-methylxanthinemetabolite00low000000
leucyl-glycyl-glycine
0
tripeptidemetabolite00low000000
acetylleucine
0
L-leucine derivative;
N-acetyl-L-amino acid		metabolite00low000000
n-benzoylalanine, (dl-ala)-isomer
0
alanine derivative;
N-acyl-amino acid		metabolite00low000000
dipropylacetamide
0
fatty amidegeroprotector;
metabolite;
teratogenic agent		00low000000
masoprocol
7
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		1980200633.4low033100
7-methyladenine
0
methyladeninemetabolite00low000000
acetylisoniazid
0
carbohydrazidemetabolite00low000000
illimaquinone
0
monohydroxy-1,4-benzoquinones;
prenylquinone		metabolite00low000000
coptisine
0
alkaloidmetabolite00low000000
betulin
0
diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
narciclasine
0
phenanthridinesmetabolite00low000000
lividomycin
0
lividomycinsmetabolite00low000000
dmp 323
0
diazepanone;
ureas		anti-HIV agent;
metabolite		00low000000
eupolauridine
0
naphthyridine derivativemetabolite00low000000
zaluzanin C
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
2-aminonicotinic acid
0
aminonicotinic acid;
aminopyridine		metabolite00low000000
(-)-catechin
0
catechinmetabolite00low000000
dehydrocostus lactone
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		00low000000
Tormentic acid
0
triterpenoidmetabolite00low000000
pinobanksin
0
secondary alpha-hydroxy ketone;
trihydroxyflavanone		antimutagen;
antioxidant;
metabolite		00low000000
sigmoidin a
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger		00low000000
xanthosine 5'-triphosphate
0
purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
monotropein
0
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite		00low000000
glycyl-histidyl-lysine
0
tripeptidechelator;
hepatoprotective agent;
metabolite;
vulnerary		00low000000
homoeriodictyol
0
3'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite		00low000000
arjunolic acid
0
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite		00low000000
oxazolidin-2-one
0
carbamate ester;
oxazolidinone		metabolite00low000000
monoethyl phthalate
0
ethyl ester;
phthalic acid monoester		metabolite00low000000
methylimidazoleacetic acid
0
imidazoles;
monocarboxylic acid		GABA agonist;
metabolite		00low000000
2-(2-aminoethyl)pyridine
0
aminoalkylpyridine;
primary amine		histamine agonist;
metabolite		00low000000
xanthurenic acid 8-methyl ether
0
aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
methyl orsellinate
0
hydroxybenzoic acidmetabolite00low000000
2,2-di(4-methacryloxyphenyl)propane
0
bisphenol;
enoate ester		metabolite00low000000
sofosbuvir
0
aminopyrimidine;
aromatic carboxylic acid;
nucleobase analogue;
pyrimidone		metabolite00low000000
3-methyluracil
0
nucleobase analogue;
pyrimidone		metabolite00low000000
1-methylcytosine
0
aminopyrimidine;
methylcytosine;
pyrimidone		metabolite00low000000
leucyl-alanine
0
dipeptidemetabolite00low000000
leucyl-leucyl-leucine
0
tripeptidemetabolite00low000000
3,4-dihydroxyphenylethanol
0
catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite		00low000000
3,7-dimethyluric acid
0
oxopurinemetabolite;
mouse metabolite		00low000000
alanylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
d-biotin-d-sulfoxide
0
biotins;
sulfoxide		metabolite00low000000
biotin sulfone
0
biotins;
sulfone		metabolite00low000000
asperuloside
0
acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite00low000000
primin
0
1,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite		00low000000
2-(hydroxymethyl)anthraquinone
0
anthraquinonemetabolite00low000000
tyrosylleucine
0
dipeptidemetabolite00low000000
o-methylserine
0
L-serine derivative;
non-proteinogenic L-alpha-amino acid		metabolite00low000000
cinchonine
0
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite00low000000
aucubin
0
organic molecular entitymetabolite00low000000
catalpol
0
organic molecular entitymetabolite00low000000
3,4-dihydroxyphenylglycol
0
catechols;
tetrol		metabolite;
mouse metabolite		00low000000
2-methylhistamine
0
aralkylamino compound;
imidazoles		histamine agonist;
metabolite		00low000000
2-methylhippuric acid
0
N-acylglycinemetabolite00low000000
taraxerol
0
pentacyclic triterpenoid;
secondary alcohol		metabolite00low000000
alpha-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite		00low000000
3-acetyllupeol
0
organic molecular entitymetabolite00low000000
lupenone
0
triterpenoidmetabolite00low000000
glycyltryptophan
0
dipeptidemetabolite00low000000
monocerin
0
hydroxybenzoic acidmetabolite00low000000
propionyl-coenzyme a
0
acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
alpha-hydroxyisocaproic acid
0
2-hydroxy fatty acid;
branched-chain fatty acid		metabolite00low000000
totarol
0
diterpenoidmetabolite00low000000
taraxerone
0
scalarane sesterterpenoidmetabolite00low000000
prunin protein, prunus
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite		00low000000
uvaol
0
triterpenoidmetabolite00low000000
glycyltyrosine
0
dipeptidemetabolite00low000000
glycylleucine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
alanyltyrosine
0
dipeptidemetabolite00low000000
glycyl-l-phenylalanine
0
dipeptide zwitterion;
dipeptide		human metabolite;
metabolite		00low000000
digoxigenin-mono(digitoxoside)
0
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid saponin		metabolite00low000000
thiazolidine-4-carboxylic acid, (r)-isomer
0
thiazolidinemonocarboxylic acid;
thioproline		geroprotector;
metabolite		00low000000
5,6-dihydrothymine
0
pyrimidonehuman metabolite;
metabolite;
mouse metabolite		00low000000
dehydroabietic acid
0
abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite		00low000000
palmitone
0
dialkyl ketoneanticonvulsant;
metabolite		00low000000
1-methylthymine
0
methylthyminemetabolite00low000000
imidazoleacetic acid
0
imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
1-methylguanosine
0
methylguanosinemetabolite00low000000
alanylphenylalanine
0
dipeptidemetabolite00low000000
murrayanine
0
carbazolesmetabolite00low000000
girinimbine
0
carbazolesmetabolite00low000000
tryptophylglycine
0
dipeptidemetabolite00low000000
canthin-6-one
0
enone;
indole alkaloid;
organic heterotetracyclic compound		antimycobacterial drug;
metabolite		00low000000
glycylaspartic acid
0
dipeptidemetabolite00low000000
4-methylhippuric acid
0
N-acylglycinemetabolite00low000000
delta(9)-tetrahydrocannabinolic acid
0
benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent		00low000000
3-methylhippuric acid
0
N-acylglycinemetabolite00low000000
n-glycylglutamic acid
0
dipeptidemetabolite00low000000
n-caproylglycine
0
N-acylglycinemetabolite00low000000
diosgenin
0
3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite		00low000000
s-2-aminoethyl cysteine
0
L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor;
metabolite;
protein synthesis inhibitor		00low000000
4-hydroxycyclophosphamide
0
nitrogen mustard;
organochlorine compound;
phosphorodiamide		alkylating agent;
metabolite		00low000000
alpha-glutamyltryptophan
0
dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite		00low000000
malabaricone c
0
butanonemetabolite00low000000
loliolide
0
benzofuransmetabolite00low000000
tuberostemonine
0
alkaloidmetabolite00low000000
pyrrole-3-carboxylic acid
0
pyrrolecarboxylic acidmetabolite;
Penicillium metabolite		00low000000
histidylglycine
0
dipeptidemetabolite00low000000
histidinoalanine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
cinchonidine
0
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite00low000000
quillaic acid
0
aldehyde;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite		00low000000
p-methoxy-n-methylphenethylamine
7
aromatic ether;
secondary amino compound		metabolite1974199042.1low061000
ecgonine methyl ester
0
methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug		00low000000
n-acetylcytidine
0
acetamides;
cytidines;
secondary carboxamide		metabolite00low000000
4-hydroxydebrisoquin
0
carboxamidine;
isoquinolines;
secondary alcohol		metabolite00low000000
hypotaurine
0
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		00low000000
hc toxin
0
homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin		00low000000
epicatechin gallate
0
catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
versiconal hemiacetal acetate
0
acetate ester;
anthrafuran;
lactol;
palmitoyl amino acid;
polyphenol		metabolite00low000000
selenodiglutathione
0
glutathione derivative;
thioselenide		Escherichia coli metabolite;
metabolite		00low000000
coprine
0
cyclopropanes;
dicarboxylic acid monoamide;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite;
mycotoxin		00low000000
aristolochic acid ii
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
exp3174
0
biphenylyltetrazole;
imidazoles;
organochlorine compound		metabolite00low000000
ribonolactone
0
butan-4-olide;
ribonolactone		metabolite00low000000
sulfamethoxazole hydroxylamine
0
isoxazoles;
sulfonamide		allergen;
metabolite		00low000000
androsterone glucuronide
0
beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
metabolite;
mouse metabolite		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
sapintoxin d
0
phorbol ester;
tertiary alpha-hydroxy ketone		fluorescent probe;
metabolite		00low000000
amarogentin
0
monosaccharide derivative;
secoiridoid glycoside		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
metabolite		00low000000
taraxasterol
0
pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite		00low000000
asiatic acid
0
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		00low000000
flavoglaucin
0
hydroquinonesmetabolite00low000000
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone
0
benzofuransmetabolite00low000000
dioscin
0
hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
maculosin
0
dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite00low000000
n(4)-methylcytosine
0
aminopyrimidine;
methylcytosine;
pyrimidone		metabolite00low000000
n-acetylputrescine
0
N-monoacetylalkane-alpha,omega-diamine;
N-substituted putrescine		metabolite;
mouse metabolite		00low000000
4'-demethylpodophyllotoxin
0
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite00low000000
lysicamine
0
alkaloid antibiotic;
oxoaporphine alkaloid		metabolite00low000000
celastrol
0
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		00low000000
procyanidin b2
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		antioxidant;
metabolite		00low000000
aromadedrin
0
4'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone		metabolite00low000000
3-methylthymine
0
methylthymine;
pyrimidone		metabolite00low000000
tyrosyl-glycyl-glycine
0
tripeptide zwitterion;
tripeptide		metabolite00low000000
cyclic adp-ribose
1
cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist		201720177.0low000010
glycylglutamine
0
dipeptide zwitterion;
dipeptide		metabolite;
protective agent		00low000000
alanylglutamine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
naadp
0
nicotinic acid dinucleotidecalcium channel agonist;
metabolite;
signalling molecule		00low000000
procyanidin b5
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		metabolite00low000000
proanthocyanidin a2
0
hydroxyflavan;
proanthocyanidin		angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite		00low000000
dihydrosanguinarine
0
benzophenanthridine alkaloidantifungal agent;
metabolite		00low000000
tetrahydrocurcumin
0
beta-diketone;
diarylheptanoid;
polyphenol		metabolite00low000000
eriodictyol 7-glucuronide
0
3'-hydroxyflavonoid;
beta-D-glucosiduronic acid		EC 1.1.1.21 (aldehyde reductase) inhibitor;
metabolite		00low000000
beta-lipotropin, gln(9)-
0
catechols;
crown compound;
macrocyclic lactone		bacterial metabolite;
metabolite		00low000000
4-nitrososulfamethoxazole
0
isoxazoles;
nitroso compound;
sulfonamide		allergen;
metabolite		00low000000
protosappanin a
0
catecholsmetabolite00low000000
3,3'-neotrehalosadiamine
0
amino disaccharide;
glycosyl glycoside derivative		antimicrobial agent;
metabolite		00low000000
salvinorin a
0
organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen		00low000000
cyanidin
0
5-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent		00low000000
yakuchinone-a
0
ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
marsupsin
0
1-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite		00low000000
6,6'-bieckol
0
aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger		00low000000
3-methylcytosine
0
aminopyrimidine;
methylcytosine;
pyrimidone		metabolite00low000000
eckol
0
phlorotanninantioxidant;
metabolite		00low000000
procyanidin b3
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
phenylalanylarginine
0
dipeptidemetabolite00low000000
prolylarginine
0
dipeptidemetabolite00low000000
5-methoxytryptophan
0
L-alpha-amino acid zwitterion;
L-tryptophan derivative		metabolite00low000000
phenylalanylglutamate
0
dipeptidemetabolite00low000000
aspartylglycine
0
dipeptidemetabolite00low000000
aspartylglutamate
0
dipeptidemetabolite00low000000
5-hydroxypipecolic acid
0
piperidinemonocarboxylic acidmetabolite00low000000
prolyl-tyrosine
0
dipeptidemetabolite00low000000
histidylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
phenylalanyl-glycyl-glycine
0
tripeptidemetabolite00low000000
leucylarginine
0
dipeptidemetabolite00low000000
pendolmycin
0
indolesmetabolite00low000000
atractylenolide iii
0
naphthofuranmetabolite00low000000
malvidin
0
5-hydroxyanthocyanidinbiological pigment;
metabolite		00low000000
5-hydroxytryptoline
0
beta-carbolinesmetabolite00low000000
perlolyrine
0
organic molecular entitymetabolite00low000000
endocrocin
0
monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite00low000000
sulochrin
0
benzophenones;
carboxylic ester;
phenols		metabolite00low000000
i-677
0
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
isohomovanillic acid
0
aromatic ether;
phenols;
phenylacetic acids		metabolite00low000000
4-amino-2-methoxypyrimidine
0
aminopyrimidine;
aromatic ether;
methylcytosine		metabolite00low000000
asimilobine
0
aporphine alkaloidmetabolite00low000000
aristolochic acid D
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin		00low000000
leukodopachrome
0
hydroxy monocarboxylic acid;
indoles		metabolite00low000000
ampelopsin
0
dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite		00low000000
pinusolide
0
diterpene lactonemetabolite00low000000
2,4,5-trihydroxypentanoic acid gamma-lactone
0
ribonolactonemetabolite00low000000
hydroxysitosterol
0
3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid		metabolite;
plant metabolite		00low000000
jolkinolide a
0
diterpene lactonemetabolite00low000000
jolkinolide b
0
diterpene lactonemetabolite00low000000
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine
0
1-alkyl-sn-glycero-3-phosphocholine;
lysophosphatidylcholine O-16:0		metabolite00low000000
isovitexin
0
C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
dopamine quinone
0
1,2-benzoquinones;
primary amino compound		metabolite00low000000
platycodin d
0
triterpenoid saponinmetabolite00low000000
frenolicin b
0
benzoisochromanequinone;
p-quinones		metabolite00low000000
4-oxopentanal
0
ketoaldehydemetabolite00low000000
my 12-62c
0
monohydroxyquinoline;
quinolone		antibacterial agent;
iron chelator;
metabolite;
signalling molecule		00low000000
3,4-dihydroxyphenylpyruvic acid
0
2-oxo monocarboxylic acidmetabolite00low000000
proximadiol
0
eudesmane sesquiterpenoidmetabolite00low000000
aristolochic acid c
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
phenylacetyl-coenzyme a
0
acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
taxusin
0
acetate ester;
carbotricyclic compound;
taxane diterpenoid		metabolite00low000000
confertin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
beta-methylcrotonylglycine
0
N-acylglycinemetabolite00low000000
tracheloside
0
glycoside;
lignan		metabolite00low000000
maytenonic acid
0
triterpenoidmetabolite00low000000
procyanidin C1
0
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
lipoxygenase inhibitor;
metabolite		00low000000
3-methyleneindolenine
0
indolesmetabolite00low000000
isopulegol
0
p-menthane monoterpenoidmetabolite00low000000
kadsurin
0
tanninmetabolite00low000000
lysylproline
0
dipeptidemetabolite00low000000
5-o-methylembelin
0
enol ether;
monohydroxy-1,4-benzoquinones		antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite		00low000000
dihydrodaidzein
0
hydroxyisoflavanonemetabolite00low000000
4'-o-methylepigallocatechin
0
catechinmetabolite00low000000
corynoline
0
benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
limonin
0
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		00low000000
dichamanetin
0
diarylheptanoidmetabolite00low000000
brevianamide f
0
dipeptide;
indoles;
pyrrolopyrazine		metabolite00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
4-sulfocatechol
0
dihydroxybenzenesulfonic acidmetabolite00low000000
histidylleucine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
7-methoxyheptaphylline
0
carbazolesmetabolite00low000000
phenylalanylserine
0
dipeptidemetabolite00low000000
phellamurin
0
4'-hydroxyflavanones;
beta-D-glucoside;
dihydroflavonols;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		metabolite00low000000
prolylglutamic acid
0
dipeptidemetabolite00low000000
nantenine
0
oxoaporphine alkaloidmetabolite00low000000
hydrastine
0
isoquinolinesmetabolite00low000000
butyrylcarnitine
0
O-butanoylcarnitine;
saturated fatty acyl-L-carnitine		metabolite00low000000
2-hydroxyestradiol
0
17beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug		00low000000
aromaticin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
acivicin
0
isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite		00low000000
n-methylcorydaldine
0
quinolonemetabolite00low000000
2-amino-3,3-dimethylbutanoic acid
0
non-proteinogenic alpha-amino acidmetabolite00low000000
pentabromopseudilin
0
pyrrolesmetabolite00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
dentatin
0
coumarinsmetabolite00low000000
acronine
1
acridone derivatives;
alkaloid		antineoplastic agent;
metabolite		1981198143.0low010000
enmein
0
delta-lactonemetabolite00low000000
5-aminonicotinic acid
0
aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite00low000000
pomolic acid
0
triterpenoidmetabolite00low000000
aglafoline
0
methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor		00low000000
isomaltose
0
glycosylglucosehuman metabolite;
metabolite;
mouse metabolite		00low000000
deoxyglucose
0
2-deoxy-D-glucosemetabolite00low000000
vestitone
0
(3R)-2'-hydroxyisoflavanones;
hydroxyisoflavanone;
methoxyisoflavanone		antibacterial agent;
metabolite		00low000000
pantetheine
0
pantetheines;
thiol		human metabolite;
metabolite;
mouse metabolite		00low000000
salicin
0
aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
taxifolin
0
taxifolinmetabolite00low000000
n-formylmethionine
46
L-methionine derivative;
N-formyl amino acid;
proteinogenic amino acid		metabolite1976198342.8low0460000
fucose
0
deoxygalactosemetabolite00low000000
saponarin
0
C-glycosyl compound;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		metabolite00low000000
hippeastrine
0
delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
cyanidin 3-o-beta-d-glucopyranoside
0
anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative		metabolite00low000000
silychristin
0
1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger		00low000000
peonidin
0
5-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite		00low000000
convallatoxin
0
14beta-hydroxy steroid;
19-oxo steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
steroid aldehyde;
steroid lactone		metabolite;
vasodilator agent		00low000000
furostanol i
0
beta-D-glucoside;
cyclic hemiketal;
pentacyclic triterpenoid;
steroid saponin;
trisaccharide derivative		metabolite00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
abyssinone v
0
4'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite00low000000
davidigenin
0
dihydrochalcones;
polyphenol		anti-allergic agent;
anti-asthmatic agent;
antioxidant;
metabolite		00low000000
farrerol
0
organic molecular entitymetabolite00low000000
naringin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
isonaringin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite		00low000000
cleomiscosin a
0
aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite		00low000000
vicenin ii
0
C-glycosyl compound;
trihydroxyflavone		metabolite00low000000
eugeniin
0
beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
knipholone
0
aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite		00low000000
alpha bitter acid
0
aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite		00low000000
acanthoside b
0
beta-D-glucosidemetabolite00low000000
chlorpromazine n-oxide
0
organochlorine compound;
phenothiazines;
tertiary amine oxide		metabolite00low000000
3-hydroxyaspartic acid, (threo-l)-isomer
0
3-hydroxy-L-aspartic acidmetabolite00low000000
cyclo(l-phe-l-pro)
0
organic molecular entitymetabolite00low000000
pyochelin
0
monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore		00low000000
surfactin c
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant		00low000000
petunidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite		00low000000
malvidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite00low000000
dioncophylline a
0
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthalenes		antifungal agent;
antimalarial;
metabolite;
molluscicide		00low000000
dioncophylline c
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite		00low000000
latrunculin a
0
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		00low000000
aglucovancomycin b
0
cyclic ether;
heterodetic cyclic peptide;
peptide antibiotic;
peptide zwitterion;
polyphenol		metabolite00low000000
(S)-ATPA
0
isoxazoles;
non-proteinogenic L-alpha-amino acid		metabolite00low000000
epothilone a
0
epothilone;
epoxide		antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator		00low000000
alitretinoin
0
retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist		00low000000
isoleucylvaline
0
dipeptidemetabolite00low000000
afimoxifene
0
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		00low000000
3-hydroxyhippuric acid
0
N-acylglycine;
phenols		metabolite00low000000
12-deoxyphorbol 13-acetate
0
phorbol estermetabolite00low000000
conidendrin
0
lignanmetabolite00low000000
bevirimat
0
dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite		00low000000
azaserine
1
carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite		1975197549.0low010000
16beta,17-dihydroxy-ent-kaurane-19-oic acid
0
bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite		00low000000
glycyrin
0
aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite		00low000000
reynosin
0
organic heterotricyclic compound;
sesquiterpene lactone		metabolite00low000000
moronic acid
0
pentacyclic triterpenoidanti-HIV agent;
anti-HSV-1 agent;
metabolite		00low000000
maltitol
0
alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent		00low000000
Phe-Tyr
0
dipeptidemetabolite00low000000
2-acetyl-1-pyrroline
0
acylimine;
methyl ketone;
pyrroline		flavouring agent;
Maillard reaction product;
metabolite		00low000000
methyl indole-3-carboxylate
0
indoles;
methyl ester		metabolite00low000000
camalexin
0
1,3-thiazoles;
indole phytoalexin		metabolite00low000000
komaroviquinone
0
bridged compound;
lactol;
p-quinones;
tetracyclic diterpenoid		metabolite;
trypanocidal drug		00low000000
2-hydroxycinnamic acid
0
2-coumaric acid;
phenols		antioxidant;
metabolite		00low000000
16-epivincamine
0
alkaloidmetabolite00low000000
diethyl fumarate
0
diestermetabolite00low000000
isoliquiritigenin
0
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		00low000000
1-acetyl-beta-carboline
0
harmala alkaloidmetabolite00low000000
propolin c
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger		00low000000
xanthohumol
0
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		00low000000
butylidenephthalide
0
2-benzofurans;
gamma-lactone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hypoglycemic agent;
metabolite		00low000000
malonyl coenzyme a
0
malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
imidazol-1-ylacetic acid
0
imidazolyl carboxylic acidmetabolite00low000000
captax
0
aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite		00low000000
n-acetyltryptophan
0
L-tryptophan derivative;
N-acetyl-L-amino acid		metabolite00low000000
cinnamoylglycine
0
N-acylglycinemetabolite00low000000
n-benzoylalanine
0
N-acyl-L-alanine;
N-benzoylalanine		metabolite00low000000
isoferulic acid
0
ferulic acidsantioxidant;
biomarker;
metabolite		00low000000
oxypeucadanin, (r)-(+)-isomer
0
furanocoumarinmetabolite00low000000
curcumin
2
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		2009201512.0low000110
thiouracil
0
nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite		00low000000
allylthiourea
0
thioureasmetabolite00low000000
n-glycylalanine
0
dipeptidemetabolite00low000000
caryophyllene oxide
0
epoxidemetabolite00low000000
fumonisin b1
0
diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite		00low000000
olivetolic acid
0
benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite00low000000
hirsutine, (16e,20beta)-isomer
0
alkaloidmetabolite00low000000
Ganodermanontriol
0
triterpenoidmetabolite00low000000
dieckol
0
aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger		00low000000
glycylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
tamoxifen n-oxide
0
aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite		00low000000
7-deacetylgedunin
0
cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite		00low000000
galactose-6-phosphate
0
D-galactose 6-phosphatemetabolite00low000000
nicotine n-glucuronide
0
iminium betaine;
N-glycosylpyridine		metabolite00low000000
isorhyncophylline
0
indolizinesmetabolite00low000000
cysteinylproline
0
dipeptidemetabolite00low000000
glycyllysine
0
dipeptidemetabolite00low000000
methionyltryptophan
0
dipeptidemetabolite00low000000
ascorbigen
0
indolyl carbohydratemetabolite00low000000
pimeloyl-coenzyme a
0
omega-carboxyacyl-CoAmetabolite00low000000
1-salicylate glucuronide
0
benzoic acids;
beta-D-glucosiduronic acid		metabolite00low000000
isoschaftoside
0
C-glycosyl compound;
trihydroxyflavone		metabolite00low000000
croomine
0
alkaloidmetabolite00low000000
3-hydroxyflavanone
0
3'-hydroxyflavanones;
monohydroxyflavanone		metabolite00low000000
ungeremine
0
organic molecular entitymetabolite00low000000
seryl-proline
0
dipeptidemetabolite00low000000
4-hydroxy-5-methyl-3(2h)-furanone
0
cyclic ketone;
enol;
furans		metabolite00low000000
annomontine
0
alkaloid;
aminopyrimidine;
beta-carbolines		antiparasitic agent;
metabolite		00low000000
8-hydroxymanzamine a
0
alkaloid;
beta-carbolines;
isoquinolines		anti-HSV-2 agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
metabolite		00low000000
ginkgetin
0
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite		00low000000
calceolarioside b
0
hydroxycinnamic acidmetabolite00low000000
eupatilin
0
dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite		00low000000
quercetin 3-o-glucuronide
0
beta-D-glucosiduronic acid;
quercetin O-glycoside		antidepressant;
antioxidant;
metabolite		00low000000
australifungin
0
carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite		00low000000
catechin gallate
0
flavans;
gallate ester;
polyphenol		metabolite00low000000
sterigmatocystin
1
sterigmatocystinsmetabolite1976197648.0low010000
3,7-dimethoxy-5,3',4'-trihydroxyflavone
0
dimethoxyflavone;
trihydroxyflavone		EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		00low000000
apigenin
1
trihydroxyflavoneantineoplastic agent;
metabolite		2006200618.0low000100
7,3'-dihydroxy-4'-methoxyisoflavone
0
4'-methoxyisoflavones;
7-hydroxyisoflavones		antioxidant;
metabolite		00low000000
calcitriol
5
D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical		1985201630.6low031010
vomifoliol
0
(6S)-vomifoliolmetabolite;
phytotoxin		00low000000
feruloyltyramine
0
tyraminesmetabolite00low000000
luteolin-7-glucuronide
0
glycosyloxyflavone;
luteolin O-glucuronoside;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
chrysoeriol
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite		00low000000
quercetin 3-o-methyl ether
0
monomethoxyflavone;
tetrahydroxyflavone		antimicrobial agent;
metabolite		00low000000
dexmedetomidine
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
metabolite		00low000000
apigetrin
0
beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug		00low000000
rutin
0
disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
6-ketoprostaglandin e1
0
prostaglandins Emetabolite;
platelet aggregation inhibitor		00low000000
lipoxin a4
0
hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite		00low000000
harmine
0
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite		00low000000
naringenin chalcone
0
chalcones;
polyphenol		anti-allergic agent;
anti-inflammatory agent;
metabolite		00low000000
cornexistin
0
cyclic dicarboxylic anhydride;
organic heterobicyclic compound;
secondary alpha-hydroxy ketone		herbicide;
metabolite		00low000000
isobavachalcone
0
chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor		00low000000
daphnoretin
0
aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite		00low000000
Rhynchophylline
0
indolizinesmetabolite00low000000
esculin
0
beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite		00low000000
mammeisin
0
neoflavonoidmetabolite00low000000
ostruthin
0
terpene lactonemetabolite00low000000
costunolide
0
germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite		00low000000
caryophyllene
0
beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug		00low000000
phaseic acid
0
alpha,beta-unsaturated monocarboxylic acid;
apo carotenoid sesquiterpenoid		metabolite00low000000
agathisflavone
0
biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite		00low000000
cupressuflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger		00low000000
fisetin
0
3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite		00low000000
genkwanin
0
dihydroxyflavone;
monomethoxyflavone		metabolite00low000000
bellidifolin
0
polyphenol;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
metabolite		00low000000
demethylbellidifolin
0
tetrol;
xanthones		antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
euxanthone
0
phenols;
xanthones		metabolite;
plant metabolite		00low000000
3-methylquercetin
0
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite		00low000000
norswertianolin
0
beta-D-glucoside;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
swerchirin
0
aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite		00low000000
isoscutellarein
0
tetrahydroxyflavonemetabolite00low000000
kaempferide
0
7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite		00low000000
morin
0
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent		00low000000
norwogonin
0
trihydroxyflavoneantioxidant;
metabolite		00low000000
orientin
0
3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
patuletin
0
flavonols;
monomethoxyflavone;
pentahydroxyflavone		analgesic;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
metabolite		00low000000
rhamnetin
0
monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite		00low000000
robustaflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite		00low000000
scutellarein
0
tetrahydroxyflavonemetabolite00low000000
tamarixetin
0
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
tricetin
0
pentahydroxyflavoneantineoplastic agent;
metabolite		00low000000
tricin
0
3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite		00low000000
astringin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite		00low000000
polydatin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator		00low000000
epsilon-viniferin
0
1-benzofurans;
polyphenol;
stilbenoid		metabolite00low000000
irilone
0
hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite		00low000000
caffeic acid phenethyl ester
0
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		00low000000
licoisoflavone a
0
7-hydroxyisoflavonesmetabolite00low000000
prunetin
0
7-methoxyisoflavones;
hydroxyisoflavone		anti-inflammatory agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		00low000000
wedelolactone
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		00low000000
rottlerin
0
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		00low000000
syringetin
0
3',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone		metabolite;
platelet aggregation inhibitor		00low000000
10-deoxymethynolide
0
macrolidemetabolite00low000000
4',7-dihydroxyflavone
0
dihydroxyflavonemetabolite00low000000
rhoifolin
0
dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite00low000000
veronicastroside
0
disaccharide derivative;
glycosyloxyflavone;
neohesperidoside;
trihydroxyflavone		antibacterial agent;
metabolite		00low000000
quercimeritrin
0
beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
josamycin
0
acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite		00low000000
n,n-dimethylsphingenine
0
aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite		00low000000
4-hydroxyestradiol
0
4-hydroxy steroidmetabolite00low000000
9-hydroxy-10,12-octadecadienoic acid
0
HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite		00low000000
9-oxo-10,12-octadecadienoic acid
0
enone;
oxooctadecadienoic acid		metabolite00low000000
13-oxo-9,11-octadecadienoic acid
0
13-oxo-9,11-octadecadienoic acid;
oxo fatty acid		metabolite00low000000
13,14-dihydro-15-ketoprostaglandin d2
0
prostaglandins Dmetabolite00low000000
15-keto-13,14-dihydroprostaglandin f2alpha
0
ketone;
prostaglandins Falpha		metabolite00low000000
2,3-dinor-6-ketoprostaglandin f1alpha
0
4-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite00low000000
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer
0
3beta-sterolanti-HSV-1 agent;
antifungal agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
metabolite		00low000000
calcifediol
0
D3 vitamins;
diol;
hydroxycalciol		bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical		00low000000
cyclosporine
0
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		00low000000
oleyl alcohol
0
fatty alcohol 18:1;
long-chain primary fatty alcohol		metabolite;
nonionic surfactant		00low000000
fortimicin a
0
amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound		antibacterial agent;
metabolite		00low000000
3',4',7-trihydroxyisoflavone
0
7-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		00low000000
6,7,4'-trihydroxyisoflavone
0
7-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist		00low000000
15-deoxy-delta(12,14)-prostaglandin j2
0
prostaglandins Jelectrophilic reagent;
insulin-sensitizing drug;
metabolite		00low000000
ciguatoxins
0
ciguatoxinmetabolite00low000000
12-hydroxy-5,8,10-heptadecatrienoic acid
0
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
trienoic fatty acid		metabolite00low000000
bisdemethoxycurcumin
0
beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite		00low000000
clausine e
0
carbazolesmetabolite00low000000
ethyl caffeate
0
alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
heptaphylline
0
carbazolesmetabolite00low000000
pellitorine
0
fatty amidemetabolite00low000000
andrographolide
0
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		00low000000
isorhamnetin-3-o-galactoside
0
beta-D-galactoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
isorhamnetin 3-o-glucoside
0
beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
kaempferol-3-o-rutinoside
0
disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger		00low000000
ligustilide
0
butenolidemetabolite00low000000
7,4'-dihydroxy-3'-methoxyisoflavone
0
7-hydroxyisoflavones;
methoxyisoflavone		antiplasmodial drug;
metabolite		00low000000
sappanchalcone
0
catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite		00low000000
methyl brevifolincarboxylate
0
cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent		00low000000
3-deoxysappanchalcone
0
chalcones;
monomethoxybenzene;
phenols		metabolite00low000000
nostocarboline
0
alkaloid;
beta-carbolines;
organic cation;
organochlorine compound		antimalarial;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
ergosterol-5,8-peroxide
0
3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug		00low000000
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
0
hydroxycinnamic acidmetabolite00low000000
macluraxanthone b
0
phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite		00low000000
flavokawain b
0
chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
alternariol
0
benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin		00low000000
cis-3-hexenyl acetate
0
acetate ester;
olefinic compound		metabolite00low000000
pipercallosidine
0
alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite		00low000000
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide
0
hydroxycinnamic acidmetabolite00low000000
7-hydroxyisoflavone
0
7-hydroxyisoflavonesEC 1.14.14.14 (aromatase) inhibitor;
metabolite		00low000000
flazin
0
harmala alkaloidmetabolite00low000000
11-hydroxynoracronycine
0
acridinesmetabolite00low000000
jaceosidin
0
dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
5,7,3'-trihydroxy-3,4'-dimethoxyflavone
0
dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
salutaridine
0
morphinane alkaloidanti-HBV agent;
metabolite		00low000000
cytochalasin e
0
cytochalasan alkaloidmetabolite00low000000
artocarpin lectin
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
fumarates
0
butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite		00low000000
bleomycin
0
bleomycinantineoplastic agent;
metabolite		00low000000
1,7-dihydroxy-4-methoxyxanthone
0
aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite		00low000000
demethoxycurcumin
0
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
bergamottin
0
furanocoumarinmetabolite00low000000
alanyl-alanyl-alanine
0
tripeptidemetabolite00low000000
24-ethyl-4-cholesten-3-one
0
C29-steroid;
steroid		metabolite00low000000
myricetin 3-o-glucuronide
0
monosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone		metabolite00low000000
phenylalanylalanine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
alpinumisoflavone
0
isoflavanonesmetabolite00low000000
alpha-aspartylalanine
0
dipeptidemetabolite00low000000
alanyltyrosine
0
dipeptidemetabolite00low000000
arglabin
0
epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite		00low000000
ap 10
0
diterpene lactonemetabolite00low000000
quercetin 7-rhamnoside
0
alpha-L-rhamnoside;
flavonols;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		metabolite00low000000
albonoursin
0
2,5-diketopiperazinesmetabolite00low000000
oroidin
0
pyrroles;
secondary carboxamide		metabolite00low000000
monorden
0
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		00low000000
apratoxin a
0
1,3-thiazoles;
apratoxin		antineoplastic agent;
metabolite		00low000000
(-)-catechin-3-O-gallate
0
flavans;
gallate ester;
polyphenol		metabolite00low000000
aspartyllysine
0
dipeptidemetabolite00low000000
arginyllysine
0
dipeptidemetabolite00low000000
hygromycin a
0
hydroxycinnamic acidmetabolite00low000000
latrunculin b
0
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		00low000000
falcarindiol
0
organic molecular entitymetabolite00low000000
dehydroergosterol
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		biomarker;
metabolite		00low000000
n-oleoylglycine
0
fatty amide;
N-acylglycine 18:1		metabolite00low000000
rhizoxin
0
1,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
metabolite		00low000000
manoalide
0
butenolide;
lactol;
sesterterpenoid		EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite		00low000000
concanamycin a
0
carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite		00low000000
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid
0
enoate ester;
methyl ester;
monocarboxylic acid amide		metabolite00low000000
thunberginol f
0
catechols;
gamma-lactone;
isobenzofuranone		metabolite;
plant metabolite		00low000000
pyracrenic acid
0
triterpenoidmetabolite00low000000
eicosa-11,14-dienoic acid, (z,z)-isomer
0
icosadienoic acidmetabolite00low000000
yuanhuadine
0
diterpenoidmetabolite00low000000
tiglylglycine
0
N-acylglycinemetabolite00low000000
rhodiocyanoside a
0
aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite		00low000000
(2E,4E)-N-isobutyl-2,4-dodecadienamide
0
fatty amidemetabolite00low000000
mycothiazole
0
thiazolesmetabolite00low000000
13-oxo-9,11-octadecadienoic acid
0
13-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite		00low000000
linderalactone
0
butenolidemetabolite00low000000
pros-methylimidazoleacetic acid
0
imidazolyl carboxylic acidmetabolite00low000000
cellobionic acid
0
carbohydrate acid;
disaccharide		metabolite00low000000
pseudopteroxazole
0
tetralinsmetabolite00low000000
sophoraflavanone a
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
panduratin a
0
diarylheptanoidmetabolite00low000000
stigmasterol 3-o-beta-d-glucopyranoside
0
beta-D-glucoside;
monosaccharide derivative;
phytosterols;
steroid saponin		metabolite00low000000
17-hydroxyjolkinolide b
0
diterpene lactonemetabolite00low000000
sq-23377
30
cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite		1980201826.6low05131110
corosolic acid
0
triterpenoidmetabolite00low000000
cyclo(prolyl-valyl)
0
piperazinonemetabolite00low000000
phenylalanylglycine
0
dipeptidemetabolite00low000000
leucyl-phenylalanine
0
dipeptidemetabolite00low000000
glutamylalanine
0
dipeptidemetabolite00low000000
glutaminyl-glycine
0
dipeptidemetabolite00low000000
methionylglycine
0
dipeptidemetabolite00low000000
valylleucine
0
dipeptidemetabolite00low000000
phenylalanyl-valine
0
dipeptidemetabolite00low000000
cyclo(glycyltryptophyl)
0
indolesmetabolite00low000000
alanylglycine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
valyltyrosine
0
dipeptidemetabolite00low000000
alpha-glutamyltryptophan
0
dipeptidemetabolite00low000000
lysylglutamic acid
0
dipeptidemetabolite00low000000
methionylglutamic acid
0
dipeptidemetabolite00low000000
seryl-histidine
0
dipeptidemetabolite00low000000
arginyl-glutamine
0
dipeptidemetabolite00low000000
phenylalanylproline
0
dipeptidemetabolite00low000000
lysylglycine
0
dipeptidemetabolite00low000000
glycylhistidine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
kopsinine
0
indole alkaloidmetabolite00low000000
cyclo(leucyl-phenylalanyl)
0
2,5-diketopiperazinesmetabolite00low000000
prolylisoleucine
0
dipeptidemetabolite00low000000
phenylalanyl-valine
0
dipeptidemetabolite00low000000
isoleucyl-tyrosine
0
dipeptidemetabolite00low000000
prolyl-serine
0
dipeptidemetabolite00low000000
grayanotoxin i
0
acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid		antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin		00low000000
19-norandrosterone
0
17-oxo steroidmetabolite00low000000
s-allylcysteine
0
L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine		antineoplastic agent;
metabolite		00low000000
oleandrigenin
0
14beta-hydroxy steroid;
3beta-hydroxy steroid;
steroid ester		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite		00low000000
valyl-prolyl-proline
0
tripeptidemetabolite00low000000
prolylvaline
0
dipeptidemetabolite00low000000
palbinone
0
16-oxo steroidmetabolite00low000000
pseurotin
0
azaspiro compound;
lactam;
oxaspiro compound		metabolite00low000000
gambogic acid
0
pyranoxanthonesmetabolite00low000000
xenovulene a
0
cyclic ether;
enone;
organic heterotetracyclic compound;
sesquiterpenoid		GABA antagonist;
metabolite		00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
LL-Z1640-1
0
macrolide;
resorcinols		metabolite00low000000
9-methoxycanthin-6-one
0
aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite		00low000000
n-acetylcarnosine
0
dipeptidemetabolite00low000000
cholest-5-en-3-one
0
3-oxo-Delta(5)-steroid;
cholestanoid		metabolite00low000000
kaempferol 3-O-beta-L-glucopyranoside
0
beta-L-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
rubraxanthone
0
aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
ubiquinol
0
polyprenylhydroquinone;
ubiquinol		biomarker;
metabolite		00low000000
landomycin a
0
oligosaccharidemetabolite00low000000
ancistroealaine a
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug		00low000000
cerberin
0
acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite		00low000000
actein
0
triterpenoidmetabolite00low000000
araloside a
0
triterpenoid saponinmetabolite00low000000
ageladine a
0
alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite		00low000000
corynoxine b
0
indolizinesmetabolite00low000000
kaempferol 7-o-glucoside
0
beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger		00low000000
delphinidin 3-sambubioside
0
anthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite		00low000000
nodosin
0
delta-lactonemetabolite00low000000
protylonolide
0
diol;
enone;
macrolide		metabolite00low000000
arisugacin
0
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite		00low000000
nymphaeol c
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger		00low000000
thonningianin a
0
tanninmetabolite00low000000
cephalostatin i
0
oxo steroidmetabolite00low000000
papyriflavonol a
0
3'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone		EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite		00low000000
lactonamycin
0
gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite		00low000000
myrsinoic acid b
0
1-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite		00low000000
betulone
0
triterpenoidmetabolite00low000000
eckstolonol
0
organic heteropentacyclic compound;
oxacycle;
phlorotannin		metabolite;
radical scavenger		00low000000
manassantin b
0
benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
gitaloxin
0
cardenolide glycosidemetabolite00low000000
paeonilide
0
benzoate estermetabolite00low000000
dihydroxanthohumol
0
aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
corynoxine
0
indolizinesmetabolite00low000000
7-phloroeckol
0
aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite		00low000000
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside
0
beta-D-glucoside;
dimethoxybenzene;
lignan;
monosaccharide derivative;
polyphenol;
primary alcohol;
tetralins		antibacterial agent;
antifungal agent;
metabolite		00low000000
Sphaeropsidin C
0
tricyclic diterpenoidmetabolite00low000000
kelampayoside a
0
glycosidemetabolite00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
2,3-dihydro-3beta-methoxy withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite		00low000000
nigranoic acid
0
dicarboxylic acid;
tetracyclic triterpenoid		antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite		00low000000
esculeoside a
0
azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin		antineoplastic agent;
metabolite		00low000000
aerothionin
0
isoxazolesmetabolite00low000000
artemisic acid
0
carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite00low000000
26-deoxyactein
0
triterpenoidmetabolite00low000000
5-formylcytosine
0
aminopyrimidine;
heteroarenecarbaldehyde;
nucleobase analogue;
pyrimidone		metabolite00low000000
migrastatin
0
ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
Lyngbic acid
0
long-chain fatty acidmetabolite00low000000
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one
0
polyphenol;
xanthones		anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite		00low000000
bielschowskysin
0
acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite		00low000000
procyanidin b1
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite		00low000000
cyclo(tyrosyl-tyrosyl)
0
cyclo(tyrosyl-tyrosyl)metabolite00low000000
spiculoic acid a
0
carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes		antineoplastic agent;
metabolite		00low000000
myrocin a
0
tertiary alcoholmetabolite00low000000
3'-o-methylepicatechin
0
catechinmetabolite00low000000
episilvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
protopanaxatriol
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
sapogenin;
tetracyclic triterpenoid		metabolite00low000000
laurinterol
0
organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite		00low000000
Pseudopterosin G-J aglycone
0
diterpenoidmetabolite00low000000
ceratamine a
0
alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite		00low000000
liphagal
0
aldehyde;
cyclic ether;
meroterpenoid;
organic heterotetracyclic compound;
polyphenol		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
metabolite		00low000000
pulsatilla saponin d
0
triterpenoidmetabolite00low000000
diversonol
0
phenols;
tertiary alcohol		antibacterial agent;
metabolite		00low000000
neotuberostemonine
0
alkaloidmetabolite00low000000
drymaritin
0
enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound		anti-HIV agent;
metabolite		00low000000
lyoniresinol
0
dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		antineoplastic agent;
metabolite		00low000000
silvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
ginsenoside ro
0
triterpenoid saponinmetabolite00low000000
diosgenin glucoside
0
hexacyclic triterpenoid;
monosaccharide derivative;
spiroketal;
sterol 3-beta-D-glucoside		metabolite00low000000
pyripyropene a
0
organic heterotetracyclic compound;
sesquiterpenoid		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
metabolite		00low000000
3-epioleanolic acid
0
triterpenoidmetabolite00low000000
leucylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
R-(-)-actinodaphnine
0
aporphine alkaloidmetabolite00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
methylamphotericin b
0
macrolide;
methyl ester;
monosaccharide derivative		antifungal agent;
antiinfective agent;
metabolite		00low000000
2'-methoxykurarinone
0
4'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone		antineoplastic agent;
metabolite		00low000000
verproside
0
glycosidemetabolite00low000000
verminoside
0
hydroxycinnamic acidmetabolite00low000000
minecoside
0
hydroxycinnamic acidmetabolite00low000000
(R)-(+)-6',7'-dihydroxybergamottin
0
furanocoumarinmetabolite00low000000
lapidilectine b
0
indolyl carboxylic acidmetabolite00low000000
batzelladine a
0
alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite		00low000000
alloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
longipinene
0
alpha-longipinenemetabolite00low000000
parkeol
0
3beta-hydroxy-4,4-dimethylsteroid;
3beta-sterol;
tetracyclic triterpenoid		metabolite00low000000
rutundic acid
0
triterpenoidmetabolite00low000000
a-factor (streptomyces)
0
butan-4-olide;
primary alcohol		metabolite00low000000
taraxasteryl acetate
0
triterpenoidmetabolite00low000000
chikusetsu saponin iva
0
triterpenoid saponinmetabolite00low000000
xestoaminol c
0
amino alcohol;
sphingoid		metabolite00low000000
malyngamide A
0
dicarboximidemetabolite00low000000
simalikalactone D
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
friedelane
0
triterpenemetabolite00low000000
shamixanthone
0
cyclic ketone;
phenols;
pyranoxanthene		metabolite00low000000
17,18-epoxy-5,8,11,14-eicosatetraenoic acid
0
EpETEmetabolite00low000000
chaetominine
0
indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite00low000000
schweinfurthin g
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite		00low000000
salmon calcitonin
0
heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite		00low000000
complestatin
0
cyclic ether;
heterodetic cyclic peptide;
indoles;
organic heterobicyclic compound;
organochlorine compound;
peptide antibiotic;
polyphenol		anti-HIV-1 agent;
antimicrobial agent;
HIV-1 integrase inhibitor;
metabolite		00low000000
neuroprotectin a
0
cyclic ether;
heterodetic cyclic peptide;
indoles;
organochlorine compound;
polyphenol		HIV-1 integrase inhibitor;
metabolite		00low000000
alx-0600
0
polypeptideantioxidant;
glucagon-like peptide-2 receptor agonist;
metabolite;
protective agent		00low000000
schweinfurthin f
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		metabolite00low000000
antrocamphin a
0
methoxybenzenesanti-inflammatory agent;
metabolite		00low000000
respirantin
0
benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
streptobiosamine
0
amino disaccharidemetabolite00low000000
interiotherin b
0
aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite		00low000000
succinyladenosine
0
adenosines;
amino dicarboxylic acid;
L-aspartic acid derivative		metabolite00low000000
6-tuliposide a
0
6-O-acyl-D-glucose;
homoallylic alcohol		allergen;
metabolite		00low000000
glycochenodeoxycholate-3-sulfate
0
7alpha-hydroxy steroid;
bile acid glycine conjugate;
steroid sulfate		metabolite00low000000
wewakazole
0
cyclic peptidemetabolite00low000000
spongia-13(16),14-dien-19-oic acid
0
cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite		00low000000
Icariside E4
0
benzofuransmetabolite00low000000
lucidenic acid n
0
cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
dihydroagarofuran
0
bridged compound;
cyclic ether;
eudesmane sesquiterpenoid;
organic heterotricyclic compound		metabolite00low000000
23-epi-26-deoxyactein
0
triterpenoidmetabolite00low000000
23-hydroxybetulinic acid
0
triterpenoidmetabolite00low000000
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene
0
diterpenoidmetabolite00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
2-acetamidoglucal
0
acetamides;
glycal derivative		metabolite00low000000
diorcinol
0
aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite		00low000000
caribenol a
0
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite		00low000000
halisulfate 1
0
organic molecular entitymetabolite00low000000
6-O-feruloylcatalpol
0
hydroxycinnamic acidmetabolite00low000000
grassypeptolide
0
cyclodepsipeptide;
macrocycle		antineoplastic agent;
metabolite		00low000000
essramycin
0
triazolopyrimidinesmetabolite00low000000
ainsliadimer a
0
sesquiterpene lactone;
spiro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
salvileucalin b
0
bridged compound;
diterpenoid;
furans;
gamma-lactone		antineoplastic agent;
metabolite		00low000000
ciliatamide a
0
caprolactams;
lipopeptide		antileishmanial agent;
metabolite		00low000000
etnangien
0
hydroxy monocarboxylic acid;
macrolide antibiotic		antibacterial agent;
metabolite		00low000000
latrunculol a
0
macrolidemetabolite00low000000
N-trans-sinapoyltyramine
0
hydroxycinnamic acidmetabolite00low000000
lycojapodine a
0
alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
epi-maslinic acid
0
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite		00low000000
eoxin c4
0
eoxin;
leukotriene		metabolite00low000000
brartemicin
0
benzoate ester;
glycosyl glycoside derivative;
resorcinols		antimicrobial agent;
metabolite		00low000000
Majusculamide AB
0
amino acid amidemetabolite00low000000
7,8-dihydroxyflavanone
0
dihydroxyflavanoneantineoplastic agent;
metabolite		00low000000
antcin a
0
ergostanoidmetabolite00low000000
integric acid
0
carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid		HIV-1 integrase inhibitor;
metabolite		00low000000
vanilloloside
0
glycosidemetabolite00low000000
2,3-dihydro-3beta-O-sulfate withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
steroid sulfate;
withanolide		antineoplastic agent;
metabolite;
plant metabolite		00low000000
dicranin
0
acetylenic fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
trienoic fatty acid		antibacterial agent;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
metabolite		00low000000
leachianone a
0
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antimalarial;
antineoplastic agent;
metabolite		00low000000
hordatine a
0
aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite		00low000000
englerin a
0
cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite		00low000000
monanchocidin
0
organic molecular entitymetabolite00low000000
eurycomanone
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite		00low000000
sphaeropsidin a
0
gamma-lactonemetabolite00low000000
gardenoside
0
beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite00low000000
landomycin d
0
anthraquinonemetabolite00low000000
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite		00low000000
antcin k
0
bile acidmetabolite00low000000
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist		00low000000
shizukaol B
0
triterpenoidmetabolite00low000000
shizukaol f
0
triterpenoidmetabolite00low000000
calicheamicin gamma(1)i
0
calicheamicin;
enediyne antibiotic;
organoiodine compound		antineoplastic agent;
metabolite		00low000000
staphyloxanthin
0
apo carotenoid triterpenoid;
D-aldohexose derivative;
fatty acid ester;
triol;
xanthophyll		antioxidant;
biological pigment;
metabolite;
virulence factor		00low000000
sm 1 peptide
0
acetate ester;
ergot alkaloid		metabolite00low000000
mycocyclosin
0
2,5-diketopiperazines;
organic heterotetracyclic compound;
polyphenol		metabolite00low000000
callipeltin a
0
cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite		00low000000
vinylamycin
0
cyclodepsipeptide;
macrocycle;
primary alcohol		antibacterial agent;
antimicrobial agent;
metabolite		00low000000
promegestone
0
terpene lactonemetabolite00low000000
lancifodilactone g
0
cyclic ether;
diol;
enol;
gamma-lactone;
oxaspiro compound;
triterpenoid		anti-HIV agent;
metabolite		00low000000
rediocide a
0
diterpenoid;
epoxide;
ortho ester;
terpene lactone		insecticide;
metabolite		00low000000
lasiokaurin
0
kaurane diterpenoidmetabolite00low000000
longikaurin a
0
kaurane diterpenoidmetabolite00low000000
ponicidin
0
dioxanesmetabolite00low000000
(Z)-6,6',7,3'a-Diligustilide
0
butenolidemetabolite00low000000
suvanine
0
organic molecular entitymetabolite00low000000
shizukaol d
0
triterpenoidmetabolite00low000000
thailandepsin a
0
cyclodepsipeptidemetabolite00low000000
nordidemnin b
0
didemninmetabolite00low000000
4-formylaminooxyvinylglycine
0
non-proteinogenic alpha-amino acidmetabolite00low000000
platycoside e
0
triterpenoid saponinmetabolite00low000000
leuconoxine
0
alkaloidmetabolite00low000000
epidermin
0
macrocycle;
type A lantibiotic		antibacterial agent;
metabolite		00low000000
surfactin A
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant		00low000000
myriaporone 3
0
beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
avenacoside b
0
beta-D-glucoside;
hexacyclic triterpenoid;
spiroketal;
steroid saponin;
tetrasaccharide derivative		metabolite00low000000
3-methylglutarylcarnitine
0
O-methylglutarylcarnitinemetabolite00low000000
pivaloylcarnitine
0
C5-acylcarnitinemetabolite00low000000
levoleucovorin
0
5-formyltetrahydrofolic acidantineoplastic agent;
metabolite		00low000000
7,8-dihydroneopterin
0
dihydropterin;
neopterins		Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
guanosine monophosphate
1
guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite		1975197549.0low010000
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine
0
methyl ketone;
pyrimidodiazepine		metabolite00low000000
dyspropterin
0
biopterins;
tetrahydropterin		human metabolite;
metabolite;
mouse metabolite		00low000000
2'-o-methylguanosine
0
methylguanosinemetabolite00low000000
allopurinol riboside
0
nucleoside analoguemetabolite00low000000
norclozapine
0
dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist		00low000000
7-methylguanosine
0
methylguanosine;
organic cation		metabolite00low000000
3'-o-methylguanosine
0
methylguanosinemetabolite00low000000
primapterin
0
biopterinsmetabolite00low000000
7-methylinosine
0
inosines;
organic cation		metabolite00low000000
marineosin a
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
marineosin b
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
4-phenyl-3-furoxancarbonitrile
0
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
aspirin
9
benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent		1979200434.2low052200
azelastine
0
monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor		00low000000
cilostazol
0
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
dilazep
0
benzoate ester;
diazepane;
diester;
methoxybenzenes		cardioprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
dipyridamole
15
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		1973199144.4low0141000
milrinone
0
bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		00low000000
procainamide
0
benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker		00low000000
sevoflurane
0
ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor		00low000000
fenofibrate
0
benzochromenone;
delta-lactone;
naphtho-alpha-pyrone		platelet aggregation inhibitor;
Sir2 inhibitor		00low000000
ticlopidine
2
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		1985199434.5low011000
troglitazone
1
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		2012201212.0low000010
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
0
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
2-hydroxyacetanilide
0
acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite		00low000000
tetramethylpyrazine
0
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
diallyl trisulfide
0
organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent		00low000000
glaucine
0
aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite		00low000000
acadesine
0
1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor		00low000000
1,2-benzisothiazoline-3-one
0
organic heterobicyclic compound;
organonitrogen heterocyclic compound		disinfectant;
drug allergen;
environmental contaminant;
platelet aggregation inhibitor;
sensitiser;
xenobiotic		00low000000
clonixin
0
aminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent		00low000000
colforsin
53
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		1985201330.4low01531520
azelastine hydrochloride
0
hydrochlorideanti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor		00low000000
carmoxirole
0
indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine		antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor		00low000000
clopidogrel
0
methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
droxicam
0
organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug		00low000000
miroprofen
0
imidazopyridine;
monocarboxylic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		00low000000
galgravin
0
aryltetrahydrofuran;
dimethoxybenzene;
lignan;
ring assembly		bone density conservation agent;
neuroprotective agent;
plant metabolite;
platelet aggregation inhibitor		00low000000
s-nitrosoglutathione
0
glutathione derivative;
nitrosothio compound		bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule		00low000000
plavix
0
azaheterocycle sulfate salt;
organoammonium sulfate salt		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
actinodaphine
0
aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor		00low000000
taiwanin c
0
benzodioxoles;
furonaphthodioxole;
lignan		antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor		00low000000
eptifibatide
0
homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor		00low000000
8-prenylnaringenin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		plant metabolite;
platelet aggregation inhibitor		00low000000
lysine clonixinate
0
organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent		00low000000
vitexin
0
C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		00low000000
alprostadil
19
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		1978200137.3low0144100
sciadopitysin
0
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		bone density conservation agent;
platelet aggregation inhibitor		00low000000
iloprost
0
carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent		00low000000
n-cinnamoyltyramine
0
cinnamamides;
phenols;
secondary carboxamide		allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor		00low000000
neobavaisoflavone
0
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		00low000000
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside
0
beta-D-glucoside;
resorcinols;
stilbenoid		anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor		00low000000
bay 11-7082
0
nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		00low000000
beraprost
0
enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent		00low000000
u 62840
0
carbotricyclic compound;
carboxylic acid		antihypertensive agent;
cardiovascular drug;
human blood serum metabolite;
platelet aggregation inhibitor;
vasodilator agent;
vitamin K antagonist		00low000000
s-nitrosocysteine
0
L-cysteine derivative;
nitrosothio compound		hematologic agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
cangrelor
0
adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound		P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
ticagrelor
0
aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor		00low000000
selexipag
0
aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound		orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent		00low000000
mre 269
0
aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent		00low000000
vorapaxar
0
carbamate ester;
lactone;
naphthofuran;
organofluorine compound;
pyridines		cardiovascular drug;
platelet aggregation inhibitor;
protease-activated receptor-1 antagonist		00low000000
edoxaban
0
chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor		00low000000
beraprost sodium
0
organic sodium saltanti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent		00low000000
lfm a13
0
aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor		00low000000
ML355
0
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor		00low000000
bl 4162a
0
imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor		00low000000
3-nitropropionic acid
0
C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin		00low000000
patulin
0
furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite		00low000000
gliotoxin
0
dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor		00low000000
ergotamine
0
peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent		00low000000
ochratoxin b
0
isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite		00low000000
ochratoxin c
0
alpha-amino acid ester;
isochromanes;
phenylalanine derivative		Aspergillus metabolite;
mycotoxin;
Penicillium metabolite		00low000000
deoxynivalenol
0
cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol		mycotoxin00low000000
terreic acid
0
arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin		00low000000
sporidesmin
0
aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator		00low000000
terphenyllin
0
dimethoxybenzene;
para-terphenyl;
phenols		Aspergillus metabolite;
mycotoxin		00low000000
paxilline
8
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		1994200325.5low007100
fumitremorgin b
0
indole alkaloid;
organic heteropentacyclic compound		mycotoxin00low000000
fumitremorgin a
0
aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		mycotoxin00low000000
botrydial
0
dialdehydemycotoxin00low000000
tryptoquivaline
0
aromatic ether;
indole alkaloid;
organic heteropentacyclic compound		breast cancer resistance protein inhibitor;
mycotoxin		00low000000
ochratoxin a
0
isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent		00low000000
mycophenolic acid
1
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		201520159.0low000010
helvolic acid
0
3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin		00low000000
beauvericin
0
cyclodepsipeptideantibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor		00low000000
t-2 toxin
0
acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin		00low000000
alternariol monomethyl ether
0
aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin		00low000000
3-acetyldeoxynivalenol
0
trichotheceneepitope;
mycotoxin		00low000000
ascladiol
0
butenolide;
primary allylic alcohol		mycotoxin00low000000
ustiloxin b
0
aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin		00low000000
demethoxyfumitremorgin c
0
indole alkaloid;
organic heteropentacyclic compound		mycotoxin00low000000
15-acetyldeoxynivalenol
0
trichotheceneepitope;
mycotoxin		00low000000
verruculogen
0
aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		00low000000
violaceol II
0
aromatic ether;
catechols;
resorcinols		mycotoxin00low000000
ck-0944666
0
benzamides;
indoles;
organofluorine compound		actin polymerisation inhibitor00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
zaluzanin C
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
dehydrocostus lactone
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		00low000000
salvinorin a
0
organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen		00low000000
confertin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
limonin
0
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
aromaticin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
aglafoline
0
methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor		00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
cleomiscosin a
0
aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite		00low000000
eugeniin
0
beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
reynosin
0
organic heterotricyclic compound;
sesquiterpene lactone		metabolite00low000000
irilone
0
hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite		00low000000
methyl brevifolincarboxylate
0
cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent		00low000000
pseurotin
0
azaspiro compound;
lactam;
oxaspiro compound		metabolite00low000000
episilvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
silvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
batzelladine a
0
alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite		00low000000
chaetominine
0
indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite00low000000
schweinfurthin g
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite		00low000000
schweinfurthin f
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		metabolite00low000000
dihydroagarofuran
0
bridged compound;
cyclic ether;
eudesmane sesquiterpenoid;
organic heterotricyclic compound		metabolite00low000000
lycojapodine a
0
alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
callipeltin a
0
cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite		00low000000
cilostazol
0
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
colforsin
53
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		1985201330.4low01531520
droxicam
0
organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug		00low000000
beraprost
0
enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent		00low000000
vorapaxar
0
carbamate ester;
lactone;
naphthofuran;
organofluorine compound;
pyridines		cardiovascular drug;
platelet aggregation inhibitor;
protease-activated receptor-1 antagonist		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acid
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		201620168.0low000010
4-hydroxybenzaldehyde
1
hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite		2008200816.0low000100
9-xylosyladenine
1
purine nucleoside201620168.0low000010
quinacrine
1
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		2008200816.0low000100
chlordecone
1
cyclic ketone;
organochlorine compound		insecticide;
persistent organic pollutant		2008200816.0low000100
coumarin
1
coumarinsfluorescent dye;
human metabolite;
plant metabolite		201620168.0low000010
salicylic acid
1
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		201620168.0low000010
gallic acid
1
trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite		201820186.0low000010
4-aminophenol
1
aminophenolallergen;
metabolite		2012201212.0low000010
malic acid
1
2-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite		201620168.0low000010
phosphonoacetic acid
1
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		201620168.0low000010
aminocaproic acid
1
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite		2008200816.0low000100
5,6-dimethylbenzimidazole
1
dimethylbenzimidazoleEscherichia coli metabolite;
human metabolite		2008200816.0low000100
hexachlorocyclohexane
1
chlorocyclohexane2008200816.0low000100
histamine
1
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		201620168.0low000010
indoleacetic acid
2
indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite		201220189.0low000020
melatonin
2
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		201220189.0low000020
n-acetylserotonin
1
acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist		201820186.0low000010
naringenin
2
4'-hydroxyflavanones;
trihydroxyflavanone		201620187.0low000020
niacinamide
1
pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor		201620168.0low000010
niacin
1
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		201620168.0low000010
parathion
1
C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite		2008200816.0low000100
pentachlorophenol
1
aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite2008200816.0low000100
phenethylamine
1
alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		201820186.0low000010
pyrazinamide
2
monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug		2008201612.0low000110
pyrazinoic acid
1
pyrazinecarboxylic acidantitubercular agent;
drug metabolite		201620168.0low000010
tryptamine
1
aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines		human metabolite;
mouse metabolite;
plant metabolite		201820186.0low000010
epibatidine
1
alkaloid2012201212.0low000010
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
1
catechin201820186.0medium000010
1,10-phenanthroline
1
phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor		201620168.0low000010
1,3-dipropyl-8-cyclopentylxanthine
1
oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		201620168.0low000010
2,2'-dipyridyl
1
bipyridinechelator;
ferroptosis inhibitor		201620168.0low000010
amitrole
1
aromatic amine;
triazoles		carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide		2008200816.0low000100
ro 5-4864
1
201620168.0low000010
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		201620168.0low000010
4-phenyl-3-furoxancarbonitrile
1
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2007200717.0low000100
phenytoin
2
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		2008201612.0low000110
5,8,11,14-eicosatetraynoic acid
1
long-chain fatty acid201620168.0low000010
5-fluoroindole-2-carboxylic acid
1
indolyl carboxylic acid201620168.0low000010
hydroxyindoleacetic acid
1
indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite		201820186.0low000010
5-methoxytryptamine
1
aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist		201820186.0low000010
7,8-dihydroxyflavone
1
dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist		201820186.0low000010
4',7-dihydroxyflavanone
1
4'-hydroxyflavanones;
dihydroxyflavanone;
polyphenol		Brassica napus metabolite;
fungal xenobiotic metabolite		201820186.0medium000010
etofylline
1
oxopurine201620168.0low000010
7-nitroindazole
1
201620168.0low000010
aa 861
1
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		201620168.0low000010
acebutolol
1
aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent		2008200816.0low000100
acetaminophen
1
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2008200816.0low000100
acetarsol
1
acetamides;
anilide		201620168.0low000010
acetazolamide
2
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2008201612.0low000110
acetohexamide
1
acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2008200816.0low000100
albuterol
1
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2008200816.0low000100
altretamine
2
triamino-1,3,5-triazine2008201612.0low000110
1-(4-methanesulfonamidophenoxy)-3-(n-methyl-3,4-dichlorophenylethylamino)-2-propanol
1
sulfonamide2007200717.0medium000100
amantadine
1
adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic		2008200816.0low000100
ametantrone
1
2008200816.0low000100
aminoglutethimide
1
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2008200816.0low000100
theophylline
2
dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent		2008201612.0low000110
2-aminothiazole
1
1,3-thiazoles;
primary amino compound		2008200816.0low000100
amiodarone
1
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug2007200717.0low000100
amlodipine
1
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent		2008200816.0low000100
amoxapine
1
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		201620168.0low000010
aniracetam
1
N-acylpyrrolidine;
pyrrolidin-2-ones		201620168.0low000010
anisindione
1
aromatic ketone;
beta-diketone		anticoagulant;
vitamin K antagonist		201620168.0low000010
aristolochic acid i
1
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		2012201212.0low000010
aspirin
1
benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent		2008200816.0low000100
astemizole
1
benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist		201620168.0low000010
atenolol
2
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2008201612.0low000110
azathioprine
1
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		2008200816.0low000100
azelaic acid
1
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		201620168.0low000010
azinphosmethyl
1
benzotriazines;
organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor		2008200816.0low000100
2,2-bis(4-glycidyloxyphenyl)propane
1
diarylmethane2007200717.0low000100
bay-k-8644
2
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		2007201612.5low000110
bendroflumethiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
benzbromarone
1
1-benzofurans;
aromatic ketone		uricosuric drug201620168.0low000010
benzothiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
bepridil
1
pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
5-methoxypsoralen
1
5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite		2012201212.0low000010
betaxolol
1
propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2008200816.0low000100
bay h 4502
1
biphenyls;
imidazoles		201620168.0low000010
bisacodyl
1
diarylmethane201620168.0low000010
bisindolylmaleimide i
1
2007200717.0low000100
bisoprolol
1
secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2008200816.0low000100
brimonidine
1
imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent		201620168.0low000010
bromhexine
1
organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic2008200816.0low000100
bufexamac
1
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
bumetanide
2
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2008201612.0low000110
bupivacaine
1
aromatic amide;
piperidinecarboxamide;
tertiary amino compound		2008200816.0low000100
busulfan
1
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		2008200816.0low000100
butacaine
1
benzoate ester201620168.0low000010
butamben
1
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic201620168.0low000010
caffeine
1
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		2008200816.0low000100
verapamil
1
aromatic ether;
nitrile;
polyether;
tertiary amino compound		2007200717.0low000100
carbamazepine
1
dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic		201620168.0low000010
carbazilquinone
1
organic molecular entity2008200816.0low000100
carisoprodol
1
carbamate estermuscle relaxant201620168.0low000010
carmofur
1
organohalogen compound;
pyrimidines		2008200816.0low000100
carmustine
2
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		1996200822.0low001100
carteolol
1
quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2008200816.0low000100
celiprolol
1
aromatic ketone2008200816.0low000100
chloral hydrate
1
aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic		2008200816.0low000100
chlorambucil
3
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		1990201619.3low001110
chloroquine
4
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		2001200820.0low000400
chlorothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2008200816.0low000100
chlorpropamide
2
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2008201612.0low000110
chlorthalidone
2
isoindoles;
monochlorobenzenes;
sulfonamide		2008201612.0low000110
chlorzoxazone
1
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative		201620168.0low000010
cilostazol
1
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		201620168.0low000010
cimetidine
2
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2008201612.0low000110
cinoxacin
1
cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent		201620168.0low000010
clenbuterol
1
amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		2008200816.0low000100
clioquinol
1
monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator		2008200816.0low000100
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide
1
sulfonamide201620168.0low000010
cycloleucine
1
non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor2008200816.0low000100
cypermethrin
1
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide		2007200717.0low000100
dapsone
2
substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug		2008201612.0low000110
debrisoquin
1
carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent		2008200816.0low000100
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone
1
1,4-benzoquinonescofactor2012201212.0low000010
deferiprone
1
4-pyridonesiron chelator;
protective agent		201620168.0low000010
diazoxide
2
benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent		2008201612.0low000110
dibucaine
1
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic201620168.0low000010
dicamba
1
dichlorobenzene;
methoxybenzoic acid		agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic		2008200816.0low000100
dichlorophen
1
bridged diphenyl fungicide;
diarylmethane		201620168.0low000010
dichlorphenamide
1
dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug		2008200816.0low000100
dicyclomine
1
carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic		2008200816.0low000100
diethylcarbamazine
1
N-carbamoylpiperazine;
N-methylpiperazine		2008200816.0low000100
diflunisal
2
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2008201612.0low000110
3,3'-diindolylmethane
1
indolesantineoplastic agent;
P450 inhibitor		2012201212.0low000010
dimercaprol
1
dithiol;
primary alcohol		chelator2008200816.0low000100
dinitolmide
1
dinitrotoluene2008200816.0low000100
dipyridamole
3
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007201613.7low000210
dipyrone
1
amino sulfonic acid;
pyrazoles		anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug		2008200816.0medium000100
disopyramide
1
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2008200816.0low000100
disulfiram
2
organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor		2008201612.0low000110
valproic acid
1
branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent		2008200816.0low000100
domperidone
2
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2008201612.0low000110
droperidol
1
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		201620168.0low000010
dipropizine
1
piperazines201620168.0low000010
dyphylline
1
oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent		201620168.0low000010
ebselen
1
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		201620168.0low000010
ellipticine
2
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		2012201610.0low000020
embelin
1
dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite		2012201212.0low000010
emodin
1
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
epirizole
1
aromatic ether201620168.0low000010
ethacrynic acid
1
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		201620168.0low000010
myambutol
1
amino alcohol201620168.0medium000010
ethinamate
1
carbamate ester;
terminal acetylenic compound		sedative2008200816.0low000100
ethosuximide
1
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2008200816.0low000100
ethoxzolamide
1
aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		201620168.0low000010
etodolac
1
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
felbamate
1
carbamate esteranticonvulsant;
neuroprotective agent		201620168.0low000010
4-biphenylylacetic acid
1
biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug201620168.0low000010
felodipine
2
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2008201612.0low000110
fenbufen
1
4-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug201620168.0low000010
fenofibrate
1
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		201620168.0low000010
berotek
1
resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent		2008200816.0low000100
flecainide
1
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug2008200816.0low000100
flucytosine
2
aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug2008201612.0low000110
flufenamic acid
1
aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
fluphenazine
1
N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2008200816.0low000100
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		201620168.0low000010
flumequine
1
3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic		201620168.0low000010
fluorouracil
4
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		1990201620.2low001210
flurbiprofen
1
fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
fluspirilene
1
diarylmethane2007200717.0low000100
flutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		2008200816.0low000100
fpl 64176
1
carboxylic ester;
pyrroles		calcium channel agonist2007200717.0low000100
furosemide
1
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2008200816.0low000100
gemfibrozil
2
aromatic etherantilipemic drug2008201612.0low000110
glipizide
1
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		201620168.0low000010
glutethimide
1
piperidines2008200816.0low000100
glyburide
2
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		2008201612.0low000110
gossypol
1
2012201212.0low000010
fluorometholone
1
201620168.0medium000010
guanethidine
1
azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent		2008200816.0low000100
1-(5-isoquinolinesulfonyl)-2-methylpiperazine
1
isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor201620168.0low000010
n-(2-aminoethyl)-5-isoquinolinesulfonamide
1
2007200717.0low000100
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		201620168.0low000010
halothane
1
haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic2008200816.0low000100
harmaline
2
harmala alkaloidoneirogen201620187.0low000020
hexachlorophene
1
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug		201620168.0low000010
hexamethylene bisacetamide
1
acetamides201620168.0low000010
hycanthone
1
thioxanthenesmutagen;
schistosomicide drug		201620168.0low000010
hydralazine
1
azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent		2008200816.0low000100
hydrochlorothiazide
2
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2008201612.0low000110
hydroflumethiazide
1
benzothiadiazine;
thiazide		antihypertensive agent;
diuretic		201620168.0low000010
hydroxyurea
2
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		1990200825.0low001100
hypericin
1
2012201212.0low000010
ibuprofen
2
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		2008201612.0low000110
phenelzine
1
primary amine2008200816.0low000100
lidocaine
3
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		1990201619.3low001110
amrinone
2
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor2008201612.0low000110
indapamide
2
indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic		2008201612.0low000110
indole-3-carbinol
1
indolyl alcoholantineoplastic agent;
plant metabolite		2012201212.0low000010
indomethacin
1
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic		201620168.0low000010
indoprofen
1
gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
ipriflavone
1
aromatic ether;
isoflavones		bone density conservation agent201620168.0low000010
iproniazid
1
carbohydrazide;
pyridines		2008200816.0low000100
isoniazid
2
carbohydrazideantitubercular agent;
drug allergen		2008201612.0low000110
isoproterenol
1
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		2008200816.0low000100
itraconazole
1
piperazines201620168.0low000010
nsc 664704
1
indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector		2012201212.0low000010
ketoprofen
1
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		201620168.0low000010
khellin
2
furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent		2012201610.0low000020
kinetin
1
6-aminopurines;
furans		cytokinin;
geroprotector		2012201212.0low000010
labetalol
1
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound		2008200816.0low000100
lamotrigine
1
1,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic		201620168.0low000010
lansoprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		201620168.0low000010
beta-lapachone
1
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		2012201212.0low000010
lavendustin a
1
aromatic amine2012201212.0low000010
lavendustin b
1
2012201212.0low000010
leflunomide
1
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor		201620168.0low000010
lomustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2008200816.0low000100
loperamide
1
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		2007200717.0low000100
loratadine
1
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		201620168.0low000010
ly 171883
1
acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist		201620168.0low000010
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
1
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		2007200717.0low000100
edaravone
1
pyrazoloneantioxidant;
radical scavenger		201620168.0low000010
mechlorethamine
2
nitrogen mustard;
organochlorine compound		alkylating agent1990200825.0low001100
meclofenamate sodium anhydrous
1
organic sodium salt201620168.0low000010
mefenamic acid
1
aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		201620168.0low000010
vitamin k 3
2
1,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical		2012201610.0low000020
mephenytoin
1
imidazolidine-2,4-dioneanticonvulsant2008200816.0low000100
mepivacaine
1
piperidinecarboxamidedrug allergen;
local anaesthetic		2008200816.0low000100
meprobamate
1
organic molecular entity2008200816.0low000100
methazolamide
1
sulfonamide;
thiadiazoles		201620168.0low000010
methocarbamol
1
aromatic ether;
carbamate ester;
secondary alcohol		201620168.0low000010
methoxsalen
1
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		2012201212.0low000010
methoxyflurane
1
ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic		2008200816.0low000100
methyclothiazide
1
benzothiadiazine2008200816.0low000100
nocodazole
1
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		2009200915.0low000100
methyl salicylate
1
benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite		2008200816.0low000100
methylphenidate
1
beta-amino acid ester;
methyl ester;
piperidines		2008200816.0low000100
metoclopramide
1
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic		2008200816.0low000100
metronidazole
2
C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic		2008201612.0low000110
mexiletine
1
aromatic ether;
primary amino compound		anti-arrhythmia drug2008200816.0low000100
minoxidil
2
dialkylarylamine;
tertiary amino compound		2008201612.0low000110
mitotane
1
diarylmethane1996199628.0low001000
mitoxantrone
2
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		1996200822.0low001100
ml 9
1
naphthalenes;
sulfonic acid derivative		2007200717.0low000100
moclobemide
2
benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic		2008201612.0low000110
myristicin
1
organic molecular entitymetabolite2012201212.0low000010
acecainide
1
acetamides;
benzamides		anti-arrhythmia drug201620168.0low000010
clorgyline
1
aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2008200816.0low000100
nabumetone
1
methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		201620168.0low000010
nalidixic acid
4
1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor		1996201616.0low001120
nevirapine
1
cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor		201620168.0low000010
nialamide
1
organonitrogen compound;
organooxygen compound		201620168.0low000010
nicardipine
1
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound		2007200717.0low000100
nifedipine
2
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2008201612.0low000110
niflumic acid
1
aromatic carboxylic acid;
pyridines		201620168.0low000010
nimesulide
1
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		201620168.0low000010
nimodipine
2
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent		2008201612.0low000110
nitrendipine
2
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		2008201612.0low000110
nitroglycerin
1
nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic		2008200816.0low000100
norfloxacin
1
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic		201620168.0low000010
cm 7116
1
benzodiazepine201620168.0low000010
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
1
isoquinolines2012201212.0medium000010
nylidrin
1
alkylbenzene2008200816.0low000100
octopamine
1
phenylethanolamines;
tyramines		neurotransmitter201820186.0low000010
ofloxacin
1
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		201620168.0low000010
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		201620168.0low000010
oxprenolol
1
aromatic ether2008200816.0low000100
aminosalicylic acid
1
aminobenzoic acid;
phenols		antitubercular agent201620168.0low000010
4-dichlorobenzene
1
dichlorobenzeneinsecticide2008200816.0low000100
patulin
1
furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite		2012201212.0low000010
pentamidine
3
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		2003200819.0low000300
pentoxifylline
1
oxopurine201620168.0low000010
perphenazine
2
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2008201612.0low000110
phenacemide
1
acetamides2008200816.0low000100
phenacetin
1
acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug		2008200816.0low000100
phenazopyridine
1
diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic		2008200816.0low000100
phenindione
1
aromatic ketone;
beta-diketone		anticoagulant201620168.0low000010
phenobarbital
1
barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative		2008200816.0low000100
phenolphthalein
1
phenols201620168.0low000010
phentermine
1
primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent		2008200816.0low000100
4-phenylbutyric acid
1
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		201620168.0low000010
phenylbutazone
1
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		201620168.0low000010
phloretin
2
dihydrochalconesantineoplastic agent;
plant metabolite		201220179.5low000020
pinacidil
1
pyridines201620168.0low000010
pipemidic acid
1
amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		201620168.0low000010
pipobroman
1
N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent		2008200816.0low000100
piracetam
1
organonitrogen compound;
organooxygen compound		201620168.0low000010
pirenperone
1
aromatic ketone201620168.0low000010
polythiazide
1
benzothiadiazine2008200816.0low000100
praziquantel
1
isoquinolines201620168.0low000010
prilocaine
1
amino acid amide;
monocarboxylic acid amide		anticonvulsant;
local anaesthetic		2008200816.0low000100
primaquine
1
aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial2008200816.0low000100
primidone
2
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic		2008201612.0low000110
probenecid
2
benzoic acids;
sulfonamide		uricosuric drug2008201612.0low000110
probucol
2
dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug		2008201612.0low000110
procainamide
1
benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker		2008200816.0low000100
procaine
2
benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug		1990200825.0low001100
procarbazine
1
benzamides;
hydrazines		antineoplastic agent2008200816.0low000100
prochlorperazine
1
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic		201620168.0low000010
propafenone
1
aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug2007200717.0low000100
propranolol
1
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		1990199034.0low001000
proxyphylline
1
oxopurine201620168.0low000010
pyrimethamine
1
aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		201620168.0low000010
ranitidine
1
aralkylamine2008200816.0low000100
resorcinol
1
benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser		2008200816.0low000100
pf 5901
1
quinolines201620168.0low000010
riluzole
1
benzothiazoles201620168.0low000010
ritanserin
1
organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		201620168.0low000010
ro 31-8220
1
imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor2007200717.0low000100
rolipram
1
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		201620168.0low000010
ronidazole
1
C-nitro compound;
carbamate ester;
imidazoles		antiparasitic agent;
antiprotozoal drug		201620168.0low000010
salicylamide
1
phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic		201620168.0low000010
sanguinarine
1
alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent		2012201212.0low000010
sb 202190
1
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2007200717.0low000100
dpi 201-106
1
diarylmethane2007200717.0low000100
semustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent		2008200816.0low000100
sulfadiazine
1
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic		2008200816.0low000100
spiperone
1
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist		201620168.0low000010
aldactazide
1
steroid lactone201620168.0medium000010
streptonigrin
3
pyridines;
quinolone		antimicrobial agent;
antineoplastic agent		2008201612.0low000120
sulfabenzamide
1
benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug		201620168.0low000010
sulfacetamide
2
N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		2008201612.0low000110
sulfadimethoxine
1
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic		201620168.0low000010
sulfaguanidine
1
sulfonamide antibioticantiinfective agent2008200816.0low000100
sulfamerazine
1
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen		201620168.0low000010
sulfamethazine
2
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic		2008201612.0low000110
sulfamethizole
1
sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		201620168.0low000010
sulfamethoxazole
2
isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic		2008201612.0low000110
sulfamethoxypyridazine
2
pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		2008201612.0low000110
sulfanilamide
1
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2008200816.0low000100
sulfapyridine
1
pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic		2008200816.0low000100
sulfasalazine
1
2008200816.0low000100
sulfathiazole
1
1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic		2008200816.0low000100
sulfisoxazole
1
isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen		2008200816.0low000100
sulfoxone
1
sulfonamide2008200816.0low000100
tegafur
2
organohalogen compound;
pyrimidines		2008201612.0low000110
terazosin
1
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		201620168.0low000010
terbutaline
1
phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent		2008200816.0low000100
terfenadine
1
diarylmethane201620168.0low000010
tetracaine
2
benzoate ester;
tertiary amino compound		local anaesthetic1990200825.0low001100
tetrahydropapaverine
1
aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound		2012201212.0low000010
theobromine
1
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2012201212.0low000010
thiabendazole
2
1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug		2008201612.0low000110
2,2'-thiodiethanol
1
aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent		2008200816.0low000100
thiotepa
2
aziridines1990200825.0low001100
tinidazole
1
imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug		201620168.0low000010
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
1
trihydroxybenzoic acid2007200717.0low000100
tolazamide
2
N-sulfonylureahypoglycemic agent;
potassium channel blocker		2008201612.0low000110
tolbutamide
2
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2008201612.0low000110
tolnaftate
1
monothiocarbamic esterantifungal drug201620168.0low000010
trapidil
1
triazolopyrimidines201620168.0low000010
triamterene
1
pteridinesdiuretic;
sodium channel blocker		2008200816.0low000100
trichlormethiazide
2
benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic		2008201612.0low000110
2,2',2''-trichlorotriethylamine
1
2008200816.0low000100
trifluoperazine
1
N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug		2007200717.0low000100
trimethadione
1
oxazolidinoneanticonvulsant;
geroprotector		2008200816.0low000100
trimethoprim
2
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2008201612.0low000110
trimetrexate
2
1990200825.0low001100
trioxsalen
1
psoralensdermatologic drug;
photosensitizing agent		2012201212.0low000010
tyramine
2
monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter		201620187.0low000020
urethane
1
carbamate esterfungal metabolite;
mutagen		2008200816.0low000100
vesamicol
2
piperidines2008201612.0low000110
xylazine
1
1,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative		201620168.0low000010
zopiclone
1
monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative		201620168.0low000010
hydrocortisone acetate
1
cortisol ester;
tertiary alpha-hydroxy ketone		201620168.0low000010
mitomycin
3
mitomycinalkylating agent;
antineoplastic agent		1990201224.7low002010
oxyphenonium bromide
1
201620168.0low000010
corticosterone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
reserpine
2
alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic		2008201214.0low000110
phentolamine
1
imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent		201620168.0low000010
floxuridine
2
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		2008201612.0low000110
triethylenemelamine
1
1,3,5-triazinesalkylating agent;
insect sterilant		2008200816.0low000100
neostigmine methylsulfate
1
arylammonium sulfate saltEC 3.1.1.8 (cholinesterase) inhibitor201620168.0low000010
prednisolone acetate
1
corticosteroid hormone201620168.0low000010
allobarbital
1
barbiturates2008200816.0low000100
penicillamine
1
non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen		2008200816.0low000100
trichlorfon
1
organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide		201620168.0low000010
estrone
1
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		201620168.0low000010
paramethasone
1
fluorinated steroid2008200816.0low000100
androsterone
1
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone		201620168.0low000010
promazine hydrochloride
1
hydrochloride201620168.0low000010
azauridine
2
N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite		2008201612.0low000110
penicillin g
1
penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope		2008200816.0low000100
idoxuridine
1
organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor		2008200816.0low000100
pilocarpine hydrochloride
2
hydrochloride2012201610.0medium000020
dimethylphenylpiperazinium iodide
1
N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist201620168.0low000010
cantharidin
2
cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide		2007201214.5low000110
desoxycorticosterone acetate
1
corticosteroid hormone201620168.0low000010
chloramphenicol
1
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		2008200816.0low000100
benzyltrimethylammonium chloride
1
201620168.0medium000010
vincristine
3
acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		1990200826.0low002100
physostigmine
2
carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic		2008201214.0low000110
ethinyl estradiol
1
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen201620168.0low000010
dromostanolone
1
17beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent		2008200816.0low000100
promethazine hydrochloride
1
hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative		201620168.0low000010
cephalothin
1
azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent		2008200816.0low000100
uridine
1
uridinesdrug metabolite;
fundamental metabolite;
human metabolite		201620168.0low000010
kanamycin a
1
kanamycinsbacterial metabolite2012201212.0low000010
bromodeoxyuridine
2
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		1990200825.0low001100
thiamine
1
organic chloride salt;
vitamin B1		2008200816.0medium000100
levodopa
1
amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug		2008200816.0low000100
tolazoline hydrochloride
1
benzenes201620168.0low000010
acetylcholine chloride
1
quaternary ammonium salt201620168.0low000010
veratramine
1
piperidine alkaloid2012201212.0low000010
phlorhizin
2
aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite		201220179.5low000020
methoxamine hydrochloride
1
dimethoxybenzene201620168.0low000010
papaverine hydrochloride
2
2012201610.0low000020
methicillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
n-methyltryptamine
1
tryptamine alkaloid;
tryptamines		metabolite201820186.0low000010
niridazole
1
1,3-thiazoles;
C-nitro compound		2008200816.0low000100
cloxacillin
1
penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug		2008200816.0low000100
bretylium tosylate
1
organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		201620168.0low000010
zoxazolamine
1
benzoxazole2008200816.0low000100
methacholine chloride
1
quaternary ammonium salt201620168.0low000010
aniline
1
anilines;
primary arylamine		2008200816.0low000100
androstenedione
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		201620168.0low000010
desoxycorticosterone
2
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		1990201621.0low001010
colchicine
4
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		1990201222.5low002110
yohimbine hydrochloride
1
2012201212.0low000010
uracil mustard
1
aminouracil;
nitrogen mustard		2008200816.0low000100
oxacillin
1
penicillinantibacterial agent;
antibacterial drug		2008200816.0low000100
cycloheximide
3
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		1996201218.7low001110
fluocinolone acetonide
2
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		2008201612.0low000110
gliotoxin
1
dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor		2012201212.0low000010
norethynodrel
1
oxo steroid201620168.0low000010
triaziquone
1
1,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent		2008200816.0low000100
17-alpha-hydroxyprogesterone
1
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		201620168.0low000010
chlorpromazine hydrochloride
1
hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug		201620168.0low000010
tubercidin
1
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite		2012201212.0low000010
ampicillin
2
beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug2008201612.0low000110
mannitol
1
mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent		2008200816.0low000100
cytarabine hydrochloride
1
201620168.0low000010
cytarabine
2
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		1990200825.0low001100
trifluridine
2
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		2008201612.0low000110
4-hydroxypropiophenone
1
acetophenones201620168.0low000010
medroxyprogesterone acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive		201620168.0low000010
veratridine
1
steroidsodium channel modulator2012201212.0low000010
sulfobromophthalein sodium
1
organic sodium saltdye2008200816.0low000100
isopropamide iodide
1
diarylmethane201620168.0low000010
mestranol
1
17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen		201620168.0low000010
lidocaine hydrochloride
1
hydrochlorideanti-arrhythmia drug;
local anaesthetic		201620168.0low000010
dalapon
1
carboxylic acid;
organohalogen compound		2008200816.0low000100
triamcinolone acetonide
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		201620168.0low000010
gibberellic acid
1
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite		2012201212.0low000010
methylpentynol
1
ynone2008200816.0low000100
dehydrocholic acid
1
12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug201620168.0low000010
visnagin
1
aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent		2012201212.0low000010
methylprednisolone
2
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		2008201612.0low000110
rotenone
1
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		2012201212.0low000010
skimmianine
1
alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2012201212.0low000010
9,10-phenanthrenequinone
1
phenanthrenes201620168.0low000010
syrosingopine
1
yohimban alkaloid2012201212.0low000010
acriflavine chloride
1
organic chloride saltantibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator		1990199034.0low001000
penicillin v
1
penicillin allergen;
penicillin		2008200816.0low000100
isosorbide dinitrate
1
glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent		2008200816.0low000100
gramine
2
aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist		201220189.0low000020
pseudoephedrine
1
phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic		2008200816.0low000100
proflavine
1
aminoacridinesantibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator		1990199034.0low001000
phenothiazine
1
phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger		201620168.0low000010
mecoprop
1
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		201620168.0low000010
fenoprop
1
monocarboxylic acidphenoxy herbicide2008200816.0low000100
2-methyl-4-chlorophenoxyacetic acid
2
chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin		2008201612.0low000110
arsanilic acid
1
organoarsonic acid201620168.0low000010
3-aminobenzoic acid
1
aminobenzoic acid201620168.0low000010
dicloran
1
aromatic fungicide;
dichlorobenzene;
nitroaniline		antifungal agrochemical2008200816.0low000100
phenylhydrazine
1
phenylhydrazinesxenobiotic2008200816.0low000100
dyrene
1
monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines		antifungal agrochemical2008200816.0low000100
pyridostigmine bromide
1
pyridinium salt201620168.0low000010
acrolein
1
enalherbicide;
human xenobiotic metabolite;
toxin		2008200816.0low000100
thiodipropionic acid
1
dicarboxylic acid201620168.0low000010
tetraethylenepentamine
1
polyazaalkanecopper chelator2008200816.0low000100
ergotamine
1
peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent		2008200816.0low000100
methylergonovine
1
ergoline alkaloid2012201212.0low000010
imipramine hydrochloride
1
hydrochlorideantidepressant201620168.0low000010
neostigmine bromide
1
bromide salt201620168.0low000010
edrophonium chloride
1
chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor		201620168.0low000010
maltol
1
4-pyranonesmetabolite201620168.0low000010
chloranil
1
1,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite		2008200816.0low000100
2,2'-methylenebis(4-methyl-6-tert-butylphenol)
1
diarylmethane2012201212.0low000010
cinchophen
1
quinolines201620168.0low000010
indolebutyric acid
1
indol-3-yl carboxylic acidauxin;
plant hormone;
plant metabolite		2012201212.0low000010
amiben
1
chlorobenzoic acid2008200816.0low000100
methapyrilene hydrochloride
1
hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		201620168.0low000010
phenazopyridine hydrochloride
1
hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic		201620168.0low000010
tetrracaine hydrochloride
1
benzoate ester201620168.0low000010
shikimic acid
1
alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
protocatechualdehyde
1
dihydroxybenzaldehyde201620168.0low000010
monuron
1
3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes		environmental contaminant;
herbicide;
xenobiotic		2008200816.0low000100
iminodiacetic acid
1
amino dicarboxylic acid;
glycine derivative;
non-proteinogenic alpha-amino acid		chelator2008200816.0low000100
20-alpha-dihydroprogesterone
1
20-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite		201620168.0low000010
yohimbine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist		201820186.0low000010
2-chloroadenosine
1
purine nucleoside201620168.0low000010
diphenhydramine hydrochloride
1
hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative		201620168.0low000010
quinestrol
1
17-hydroxy steroid;
terminal acetylenic compound		xenoestrogen201620168.0low000010
tripelennamine hydrochloride
1
201620168.0medium000010
phenetidine
1
aromatic ether;
primary amino compound;
substituted aniline		drug metabolite2008200816.0low000100
diazooxonorleucine
1
amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid		analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist		2008200816.0low000100
propantheline bromide
1
xanthenes201620168.0low000010
chlormadinone acetate
1
corticosteroid hormone201620168.0low000010
methylpentynol carbamate
1
2008200816.0low000100
mechlorethamine n-oxide
1
nitrogen mustard2008200816.0medium000100
ethamivan
1
methoxybenzenes;
phenols		201620168.0low000010
pargyline hydrochloride
1
201620168.0low000010
monocrotaline
1
pyrrolizidine alkaloid2012201212.0low000010
azacitidine
2
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent1990200825.0low001100
linuron
1
dichlorobenzene;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		2008200816.0low000100
carbutamide
1
benzenes;
sulfonamide		2008200816.0low000100
orphenadrine hydrochloride
1
hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		201620168.0low000010
fluocinonide
1
organic molecular entity201620168.0low000010
methyl-4-tyramine
1
tyraminesmouse metabolite201820186.0low000010
betamethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent		2008200816.0low000100
fluorometholone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug201620168.0low000010
xanthinol niacinate
1
201620168.0low000010
hydantoins
1
imidazolidine-2,4-dione2008200816.0low000100
jervine
1
piperidines2012201212.0low000010
glycyrrhetinic acid
2
cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite		2012201610.0low000020
boldine
1
aporphine alkaloid2012201212.0low000010
indirubin
2
2007201214.5low000110
plumbagin
2
hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite		2008201214.0low000110
cepharanthine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		2012201212.0low000010
aloe emodin
1
aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite		2012201212.0low000010
emetine
3
isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor		1990200823.7low001200
osthol
1
botanical anti-fungal agent;
coumarins		metabolite2012201212.0low000010
cytisine
1
alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite		2012201212.0low000010
bicuculline
1
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		2012201212.0low000010
kainic acid
1
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		2012201212.0low000010
thymoquinone
1
1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite		2012201212.0low000010
pamaquine
1
aminoquinoline2008200816.0low000100
mustard gas
1
ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant		2008200816.0low000100
oleanolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite2012201212.0low000010
podophyllotoxin
3
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		1990201618.0low001020
hesperidin
2
3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen2008201214.0low000110
medroxyprogesterone
2
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive		2008201612.0low000110
dihydrotestosterone
1
17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		1990199034.0low001000
tetrahydrozoline hydrochloride
1
hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		201620168.0low000010
1,2-naphthoquinone
1
1,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent		201620168.0low000010
azomycin
1
C-nitro compound;
imidazoles		antitubercular agent2012201212.0low000010
apronalide
1
N-acylurea2008200816.0low000100
4,6-dinitro-o-cresol
1
dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene		dinitrophenol insecticide;
fungicide;
herbicide		2008200816.0low000100
amitriptyline hydrochloride
1
organic tricyclic compound201620168.0low000010
naphazoline hydrochloride
1
organic molecular entity201620168.0low000010
4,4'-bipyridyl
1
bipyridine201620168.0low000010
doxylamine succinate
1
organic molecular entity201620168.0low000010
monoacetyldapsone
1
acetamides;
anilide;
secondary carboxamide;
sulfone		201620168.0low000010
metahexamide
1
benzenes;
sulfonamide		2008200816.0low000100
formestane
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		201620168.0low000010
chlorotrianisene
1
chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen		201620168.0low000010
aminacrine
1
201620168.0medium000010
isoxsuprine hydrochloride
1
alkylbenzene201620168.0low000010
n-methylphenethylamine
1
201820186.0low000010
bethanechol chloride
1
carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist201620168.0low000010
megestrol acetate
2
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		2008201612.0low000110
toyocamycin
1
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		2008200816.0low000100
2-hydroxyacetanilide
1
acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite		201620168.0low000010
acetylcysteine
1
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		201620168.0low000010
Berberine chloride (TN)
1
organic molecular entity2012201212.0low000010
clopamide
1
sulfonamide201620168.0low000010
erythromycin
2
cyclic ketone;
erythromycin		1990200825.0low001100
hadacidin
1
aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent		2008200816.0low000100
phosmet
1
organic thiophosphate;
organothiophosphate insecticide;
phthalimides		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		201620168.0low000010
carbophenothion
1
organic sulfide2008200816.0low000100
levonorgestrel
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive		201620168.0low000010
porfiromycin
1
2008200816.0low000100
vinblastine
3
1990200826.0low002100
malononitrile dimer
1
201620168.0low000010
diphenyl disulfide
1
benzenes201620168.0low000010
deoxyuridine
1
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2008200816.0low000100
testolactone
1
3-oxo-Delta(1),Delta(4)-steroid;
seco-androstane		2008200816.0low000100
cyproheptadine hydrochloride (anhydrous)
1
hydrochloride201620168.0low000010
estradiol valerate
1
steroid ester201620168.0low000010
ethambutol
1
ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic		2008200816.0low000100
pyrithioxin
1
methylpyridines2008200816.0low000100
tetramethylpyrazine
1
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		201620168.0low000010
2,2'-dipyridylamine
1
201620168.0low000010
ethidium bromide
1
organic bromide saltgeroprotector;
intercalator;
trypanocidal drug		1990199034.0low001000
nsc 65346
1
nucleoside analogueprotein kinase inhibitor2008200816.0low000100
pregnenolone carbonitrile
1
aliphatic nitrile201620168.0low000010
guanazole
2
aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor		1990200825.0low001100
flurandrenolone
1
21-hydroxy steroid201620168.0low000010
vincamine
1
alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent		2012201212.0low000010
diethylcarbamazine citrate
1
piperazinecarboxamide201620168.0low000010
meturedepa
1
phosphoramide2008200816.0low000100
ioxynil
1
iodophenol;
nitrile		environmental contaminant;
herbicide;
xenobiotic		2008200816.0low000100
bromoxynil
1
dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic		2008200816.0low000100
azacyclonol
1
diarylmethane201620168.0low000010
5 alpha-androstane-3 alpha,17 beta-diol
1
androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite		201620168.0low000010
guaiacoxyacetic acid
1
201620168.0medium000010
picloram
1
aminopyridine;
chloropyridine;
organochlorine pesticide;
pyridinemonocarboxylic acid		herbicide;
synthetic auxin		2008200816.0low000100
ethoglucid
1
epoxide2008200816.0low000100
methylene diphosphonate
1
1,1-bis(phosphonic acid)bone density conservation agent;
chelator		201620168.0low000010
amiloride hydrochloride, anhydrous
1
hydrochloridediuretic;
sodium channel blocker		201620168.0low000010
pimozide
2
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		2007201612.5low000110
flumethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug201620168.0low000010
azaribine
2
acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug		2008201612.0low000110
hydrocortisone hemisuccinate
1
dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone		201620168.0low000010
muscarine
1
2012201212.0medium000010
1,3,5-triglycidyl-s-triazinetrione
1
2008200816.0medium000100
antazoline hydrochloride
1
201620168.0low000010
acetophenazine
1
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines		phenothiazine antipsychotic drug2008200816.0low000100
mebeverine hydrochloride
1
201620168.0low000010
stavudine
1
dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		201620168.0low000010
doxifluridine
1
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		2008200816.0low000100
dicloxacillin
1
dichlorobenzene;
penicillin		antibacterial drug2008200816.0low000100
improsan
1
organosulfonic ester2008200816.0low000100
clidinium bromide
1
201620168.0low000010
ecdysone
1
14alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid		prohormone2012201212.0low000010
diloxanide furoate
1
carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide		antiamoebic agent;
prodrug		201620168.0low000010
streptomycin
1
antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor		2008200816.0low000100
piperacetazine
1
phenothiazines2008200816.0low000100
nitroxoline
1
C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent		201620168.0low000010
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
1
1990199034.0low001000
cladribine
1
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		201620168.0low000010
beclomethasone
2
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug		2008201612.0low000110
tabersonine
1
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite		201820186.0low000010
carbenicillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
floxacillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
pentaquine
1
2008200816.0low000100
alverine citrate
1
citrate salt;
organoammonium salt		antispasmodic drug;
cholinergic antagonist		201620168.0low000010
cyclogyl
1
201620168.0low000010
metoclopramide hydrochloride
1
201620168.0low000010
isoetharine mesylate
1
201620168.0low000010
n-deacetyl-n-formylcolchicine
1
cyclic ketone2012201212.0medium000010
zalcitabine
1
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2008200816.0low000100
6-nitroindazole
1
201620168.0low000010
camptothecin
1
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		2012201212.0low000010
isopentenyladenosine
1
N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite		2008200816.0low000100
metoprine
1
1990199034.0low001000
ancitabine
1
diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug		2008200816.0low000100
phenacid
1
2008200816.0low000100
hydrocortisone-17-butyrate
1
butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen		201620168.0low000010
xipamide
1
benzamides2008200816.0low000100
selegiline
1
selegiline;
terminal acetylenic compound		geroprotector2008200816.0low000100
benserazide hydrochloride
1
hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		201620168.0low000010
cephalexin
1
beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
isosorbide-5-mononitrate
1
glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent		2008200816.0low000100
pentamethylmelamine
2
2008201612.0low000110
eedq
1
201620168.0low000010
tetradecanoylphorbol acetate
1
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator		2012201212.0low000010
ornidazole
1
C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope		201620168.0low000010
calusterone
1
3-hydroxy steroidandrogen2008200816.0medium000100
danazol
1
17beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector		2008200816.0low000100
tetridamin
1
201620168.0low000010
metergoline
1
carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist		201620168.0low000010
lisuride
1
monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist		2008200816.0low000100
etoprine
2
1990200825.0low001100
daunorubicin
3
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite		1990200826.0low002100
razoxane
1
N-alkylpiperazine2008200816.0low000100
capobenic acid
1
benzamides201620168.0low000010
cephapirin
1
cephalosporinantibacterial drug2008200816.0low000100
fludarabine phosphate
1
nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug		2008200816.0low000100
2-bromoergocryptine mesylate
1
methanesulfonate saltantiparkinson drug2012201212.0medium000010
bromocriptine
1
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		2008200816.0low000100
zingerone
1
methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent		2012201212.0low000010
triamcinolone
1
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		2008200816.0low000100
thymolphthalein
1
terpene lactone201620168.0low000010
azetepa
1
phosphoramide2008200816.0medium000100
clobetasol propionate
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug201620168.0low000010
cefazolin
1
beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug2008200816.0low000100
frentizole
1
201620168.0low000010
ripazepam
1
benzenes2008200816.0medium000100
amoxicillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
timolol
1
timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2008200816.0low000100
eterobarb
1
barbiturates201620168.0low000010
nigericin
1
polycyclic etherantibacterial agent;
antimicrobial agent;
bacterial metabolite;
potassium ionophore		2007200717.0low000100
oxcarbazepine
1
cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen		201620168.0low000010
prednimustine
1
corticosteroid hormone2008200816.0low000100
moricizine hydrochloride
1
hydrochlorideanti-arrhythmia drug201620168.0low000010
amygdalin
1
cyanogenic glycoside;
disaccharide derivative;
gentiobioside		plant metabolite2008200816.0medium000100
amineptin
1
amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor		2008200816.0low000100
zidovudine
2
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2008201612.0low000110
tobramycin
1
amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin		2008200816.0low000100
proroxan hydrochloride
1
201620168.0medium000010
paclitaxel
3
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		1996201218.7low001110
etomidate
1
imidazoles201620168.0low000010
buspirone hydrochloride
1
hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		201620168.0low000010
etoposide
5
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		1990201221.4low002210
propafenone hydrochloride
1
hydrochlorideanti-arrhythmia drug201620168.0low000010
dobutamine
1
catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent		2008200816.0low000100
ticarcillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
etidocaine
1
amino acid amidelocal anaesthetic2008200816.0low000100
phorbol 12,13-dibutyrate
1
butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone		2012201212.0low000010
cephradine
2
beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug2008201214.0low000110
methyldopa
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent		2008200816.0low000100
tocainide
1
monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker		2008200816.0low000100
bezafibrate
1
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		201620168.0low000010
sq-11725
2
2008201612.0low000110
nimustine
1
aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2008200816.0low000100
picobenzide
1
201620168.0low000010
quisqualic acid
1
non-proteinogenic alpha-amino acid2012201212.0low000010
flecainide acetate
1
acetate saltanti-arrhythmia drug201620168.0low000010
nicardipine hydrochloride
1
dihydropyridinegeroprotector201620168.0low000010
triadimenol
1
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		201620168.0low000010
butibufen
1
monoterpenoid2008200816.0low000100
spiromustine
1
2008200816.0low000100
diaziquone
1
1,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent		2008200816.0low000100
idarubicin
1
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative		2008200816.0low000100
cefonicid
1
cephalosporinantibacterial drug2008200816.0low000100
piperacillin
1
penicillin allergen;
penicillin		antibacterial drug2008200816.0low000100
triciribine phosphate
1
2008200816.0low000100
captopril
2
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2008201612.0low000110
terazosin hydrochloride anhydrous
1
201620168.0low000010
bw-755c
1
2008200816.0low000100
pergolide mesylate
1
methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector		201620168.0low000010
colforsin
1
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		2012201212.0low000010
cerm-1978
1
hydrochloride201620168.0low000010
cefaclor anhydrous
1
cephalosporinantibacterial drug;
drug allergen		2008200816.0low000100
alfentanil
1
monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug		2008200816.0low000100
swainsonine
1
indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite		2012201212.0low000010
dazoxiben hydrochloride
1
201620168.0medium000010
lovastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		201620168.0low000010
piritrexim
2
1990200825.0low001100
castanospermine
2
indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite		2007201214.5low000110
caracemide
1
2008200816.0low000100
bambuterol
1
carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent		2008200816.0low000100
quinapril
1
dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		2008200816.0low000100
mifepristone
1
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		201620168.0low000010
cilazapril, anhydrous
1
dicarboxylic acid monoester;
ethyl ester;
pyridazinodiazepine		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		2008200816.0low000100
niguldipine
1
diarylmethane2007200717.0low000100
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone
1
1,4-benzoquinones2008200816.0low000100
tobramycin sulfate
1
201620168.0medium000010
benzylaminopurine
1
6-aminopurinescytokinin;
plant metabolite		201620168.0low000010
morzid
1
morpholines2008200816.0medium000100
daunorubicin hydrochloride
1
anthracycline2012201212.0low000010
fluoxetine hydrochloride
1
hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine		201620168.0low000010
diltiazem hydrochloride
1
hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent		201620168.0low000010
trazodone hydrochloride
1
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		201620168.0low000010
verapamil hydrochloride
1
201620168.0low000010
doxazosin mesylate
1
methanesulfonate saltgeroprotector201620168.0low000010
febrifugine
1
quinazolines2008200816.0low000100
amantadine hydrochloride
1
hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist		201620168.0low000010
mevastatin
1
2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite		2012201212.0low000010
ursolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite		2012201212.0low000010
norharman
2
beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite		2012201610.0low000020
betulinic acid
2
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite		201220189.0low000020
thymine arabinoside
1
N-glycosyl compound2008200816.0low000100
epigallocatechin gallate
1
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		2012201212.0low000010
psicofuranine
1
psicose derivative;
purine nucleoside		2008200816.0low000100
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
1
gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger		201820186.0low000010
desipramine hydrochloride
1
hydrochloridedrug allergen201620168.0low000010
ticlopidine hydrochloride
1
hydrochloride201620168.0low000010
dopamine hydrochloride
1
catecholamine201620168.0low000010
baccatin iii
1
acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite2012201212.0low000010
triciribine
1
nucleoside analogueEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2008200816.0low000100
taleranol
1
macrolide2012201212.0low000010
narasin
1
diterpene glycoside2012201212.0medium000010
sulconazole, mononitrate, (+-)-isomer
1
conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt		201620168.0low000010
5-chloro-2'-deoxyuridine
1
2008200816.0low000100
acetylcholine bromide
1
bromide salt;
quaternary ammonium salt		201620168.0medium000010
quassin
1
triterpenoid2012201212.0low000010
tomatidine
1
3beta-hydroxy steroid;
azaspiro compound;
oxaspiro compound		2012201212.0low000010
bendamustine
1
benzimidazoles2008200816.0low000100
aloxistatin
3
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		2007201612.3low000120
trofosfamide
1
ifosfamides2008200816.0low000100
rutecarpine
1
beta-carbolines2012201212.0low000010
4-aminobenzoic acid-n-xyloside
1
2008200816.0low000100
tryptamide
1
201620168.0low000010
fotrin
1
2008200816.0low000100
sufosfamide
1
2008200816.0medium000100
trihexyphenidyl hydrochloride
1
aralkylamine201620168.0low000010
oxyphencyclimine hydrochloride
1
pyrimidines201620168.0low000010
thioridazine hydrochloride
1
hydrochloridefirst generation antipsychotic;
geroprotector		201620168.0low000010
diphenylpyraline hydrochloride
1
hydrochloridecholinergic antagonist;
H1-receptor antagonist		201620168.0low000010
bergenin
1
trihydroxybenzoic acidmetabolite2012201212.0low000010
procainamide hydrochloride
1
hydrochlorideanti-arrhythmia drug201620168.0low000010
siquil
1
hydrochlorideanticoronaviral agent201620168.0low000010
mepivacaine hydrochloride
1
hydrochloride;
piperidinecarboxamide		local anaesthetic201620168.0low000010
oxymetazoline hydrochloride
1
hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		201620168.0low000010
propatyl nitrate
1
nitrate ester2008200816.0medium000100
dexfenfluramine
1
fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor		2008200816.0low000100
diphenidol hydrochloride
1
diarylmethane201620168.0medium000010
alprenolol hydrochloride
1
hydrochloride201620168.0low000010
edoxudin
1
pyrimidine 2'-deoxyribonucleoside201620168.0low000010
2-methoxyestradiol
1
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		201620168.0low000010
6-ketoestradiol
1
201620168.0low000010
17 beta-estradiol hemisuccinate
1
201620168.0medium000010
amizyl
1
201620168.0medium000010
salicylhydroxamic acid
1
hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug		201620168.0low000010
sulfamidochrysoidine
1
2008200816.0low000100
1,7-phenanthroline
1
phenanthroline201620168.0low000010
3-fluoro-4-hydroxyphenylacetic acid
1
201620168.0medium000010
pinocembrin
1
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		2012201212.0low000010
dyclonine hydrochloride
1
hydrochloridetopical anaesthetic201620168.0low000010
clomipramine hydrochloride
1
hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug		201620168.0low000010
prazosin hydrochloride
1
hydrochloride201620168.0low000010
mianserin hydrochloride
1
hydrochloridegeroprotector201620168.0low000010
miconazole nitrate
1
201620168.0low000010
ibopamine
1
benzoate ester;
phenols		2008200816.0low000100
econazole nitrate
1
201620168.0low000010
pumitepa
1
2008200816.0low000100
elmustine
1
2008200816.0low000100
forphenicinol
1
2008200816.0low000100
2,4-dimethoxybenzaldehyde
1
201620168.0medium000010
isoscopoletin
1
aromatic ether;
hydroxycoumarin		plant metabolite2012201212.0low000010
dipropylacetamide
1
fatty amidegeroprotector;
metabolite;
teratogenic agent		2008200816.0low000100
enrofloxacin
1
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		201620168.0low000010
vinburnine
1
alkaloid2012201212.0low000010
clobetasone butyrate
1
organic molecular entity201620168.0low000010
loxapine succinate
1
succinate saltgeroprotector201620168.0low000010
guanfacine hydrochloride
1
acetamidesgeroprotector201620168.0low000010
labetalol hydrochloride
1
salicylamides201620168.0low000010
diflorasone diacetate
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
acecainide hydrochloride
1
201620168.0low000010
loperamide hydrochloride
1
hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		201620168.0low000010
maprotiline hydrochloride
1
anthracenes201620168.0low000010
hydroxyzine dihydrochloride
1
201620168.0medium000010
inproquone
1
2008200816.0low000100
betamipron
1
organonitrogen compound;
organooxygen compound		201620168.0low000010
secnidazole
1
C-nitro compound;
imidazoles;
secondary alcohol		epitope201620168.0low000010
epicatechin
1
catechin;
polyphenol		antioxidant2012201212.0low000010
gallocatechol
1
catechin;
flavan-3,3',4',5,5',7-hexol		antioxidant;
food component;
plant metabolite		202120213.0low000001
hesperetin
1
3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite		2012201212.0low000010
magnolol
1
biphenyls2012201212.0low000010
honokiol
1
biphenyls2012201212.0low000010
chelerythrine chloride
2
2007201214.5medium000110
betulin
1
diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite		2012201212.0low000010
tetrahydroalstonine
1
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid		plant metabolite2012201212.0medium000010
hernandezine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		2012201212.0low000010
picropodophyllin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
neplanocin a
1
2008200816.0low000100
tetrandrine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		2012201212.0low000010
dehydrocostus lactone
1
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		2012201212.0low000010
pyrrolidine dithiocarbamic acid
1
2004200420.0medium000100
calpeptin
1
amino acid amide2007200717.0low000100
madecassic acid
1
monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite		2012201212.0low000010
ergocornine
1
ergot alkaloid201620168.0low000010
panaxadiol
1
triterpenoid saponin2012201212.0low000010
tryptanthrine
1
alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		2012201212.0low000010
homoeriodictyol
1
3'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite		2012201212.0low000010
maslinic acid
1
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		201820186.0low000010
pramoxine hydrochloride
1
aromatic ether201620168.0low000010
4-hydroxyindole
1
hydroxyindoles;
phenols		2012201212.0low000010
butyrylcholine chloride
1
201620168.0medium000010
1-ethoxysilatrane
1
2008200816.0low000100
1-benzylimidazole
1
201620168.0low000010
chloropyramine hydrochloride
1
201620168.0low000010
6-aminoindazole
1
indazoles201620168.0medium000010
eriocitrin
1
3'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone		antioxidant2012201212.0low000010
5-aminoindazole
1
201620168.0low000010
7,8-dihydromethysticin
1
2-pyranones;
aromatic ether		2012201212.0low000010
tretazicar
1
2008200816.0low000100
nicotine
1
3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic		2012201212.0low000010
nsc-172755
1
2008200816.0low000100
cinchonine
1
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite2012201212.0low000010
phentolamine mesylate
1
201620168.0low000010
aucubin
1
organic molecular entitymetabolite2012201212.0low000010
lupinine
1
quinolizidine alkaloid2012201212.0low000010
matrine
1
alkaloid2012201212.0low000010
streptovitacin a
1
2008200816.0low000100
friedelin
1
cyclic terpene ketone;
pentacyclic triterpenoid		anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite		2012201212.0low000010
oxybutynin hydrochloride
1
hydrochloride201620168.0low000010
catalpol
1
organic molecular entitymetabolite2012201212.0low000010
quinine hydrochloride
1
2012201212.0medium000010
2-methylhippuric acid
1
N-acylglycinemetabolite201620168.0low000010
sarsasapogenin
1
sapogenin2012201212.0low000010
prilocaine hydrochloride
1
hydrochloridelocal anaesthetic201620168.0low000010
meclizine hydrochloride
1
201620168.0medium000010
cb 10375
1
2008200816.0low000100
11-hydroxyprogesterone, (11alpha)-isomer
1
11alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid		201620168.0low000010
corynanthine
1
yohimban alkaloid2012201212.0low000010
prunin protein, prunus
1
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite		2012201212.0low000010
malic acid, (r)-isomer
1
malic acid201620168.0medium000010
21-deoxycortisol
1
11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite		201620168.0low000010
estrone 3-methyl ether
1
201620168.0low000010
e-250
1
201620168.0medium000010
rac-glycerol 1-monodecanoate
1
rac-1-monoacylglycerol201620168.0low000010
nipecotic acid amide
1
piperidinecarboxamide201620168.0low000010
podocarpic acid
1
abietane diterpenoid2012201212.0low000010
carbenicillin indanyl
1
penicillin2008200816.0low000100
levcromakalim
1
1-benzopyran201620168.0low000010
tachistin
1
201620168.0low000010
cortisol octanoate
1
corticosteroid hormone201620168.0medium000010
harmol hydrochloride
1
2012201212.0medium000010
5-Methoxyflavone
1
ether;
flavonoids		2012201212.0medium000010
cb 1837
1
2008200816.0medium000100
hexaphosphamide
1
2008200816.0low000100
dipin
1
2008200816.0low000100
phosphazine
1
2008200816.0low000100
10-hydroxycamptothecin
1
pyranoindolizinoquinoline2012201212.0low000010
armepavine
1
201620168.0medium000010
diiodobenzotepa
1
2008200816.0medium000100
quindoline
1
201820186.0low000010
icig 1163
1
2008200816.0medium000100
bimolane
1
2008200816.0low000100
corydaline
1
isoquinoline alkaloid;
isoquinolines		2012201212.0low000010
demissidine
1
alkaloid;
organic heteropolycyclic compound;
steroid		2012201212.0medium000010
thiodipin
1
2008200816.0medium000100
n(6)-phenyladenosine
1
purine nucleoside201620168.0low000010
fluoxydine
1
2008200816.0low000100
cinchonidine
1
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite2012201212.0low000010
imiphos
1
2008200816.0medium000100
mizoribine
1
imidazolesanticoronaviral agent201620168.0low000010
alphaxalone
1
corticosteroid hormone201620168.0low000010
bicuculline methiodide
1
201620168.0low000010
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole
1
ether;
imidazoles;
monomethoxybenzene		TRP channel blocker2007200717.0low000100
propidium iodide
1
organic iodide salt2012201212.0low000010
paxilline
1
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		2007200717.0low000100
beta-carboline-3-carboxylic acid ethyl ester
1
beta-carbolines201620168.0low000010
aldophosphamide
1
nitrogen mustard2008200816.0low000100
perindopril
1
alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2008200816.0low000100
tryptoline
3
beta-carbolines201220188.7low000030
deguelin
1
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		2012201212.0low000010
gamma-fagarine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		201620168.0low000010
betaxolol hydrochloride
1
hydrochlorideantihypertensive agent;
beta-adrenergic antagonist		201620168.0low000010
catechin
1
hydrategeroprotector2012201212.0medium000010
daidzin
1
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite2012201212.0low000010
Zearalanone
1
macrolide;
resorcinols		201620168.0low000010
cafestol
1
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite		2012201212.0low000010
parthenolide
1
germacranolide2012201212.0low000010
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione
1
2008200816.0low000100
homoorientin
1
flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger		2012201212.0low000010
oxymatrine
1
alkaloid;
tertiary amine oxide		2008200816.0low000100
pumiliotoxin c
1
201820186.0low000010
butethamate citrate
1
201620168.0medium000010
asiatic acid
1
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		2012201212.0low000010
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol
1
piperidines201620168.0low000010
1,1,2-trichloroethanol
1
2008200816.0low000100
gallopamil hydrochloride
1
201620168.0low000010
histamine dihydrochloride
1
201620168.0medium000010
angustmycin a
1
6-aminopurines2012201212.0low000010
razadyne
1
2012201212.0low000010
24-hydroxycholesterol
1
24-hydroxycholesterolbiomarker;
human blood serum metabolite;
mouse metabolite		2007200717.0medium000100
diazaquinomycin a
1
quinolone201820186.0medium000010
phytosphingosine
1
amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
tetradecanoylphorbol acetate
1
2012201212.0low000010
celastrol
1
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		2012201212.0low000010
4'-demethylepipodophyllotoxin
1
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent2012201212.0low000010
1,3-dimethylbenzimidazoline-2-thione
1
201620168.0medium000010
gefitinib
1
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		202120213.0low000001
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
2
leucine derivative2012201610.0low000020
e 64
1
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		2012201212.0low000010
fraxinellone
1
2-benzofurans201820186.0low000010
glabridin
1
hydroxyisoflavansantiplasmodial drug201820186.0low000010
desloratadine
1
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist		201620168.0low000010
iremycin
1
2008200816.0medium000100
methotrexate
2
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		1990200825.0low001100
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine
1
2008200816.0low000100
hainanensine
1
2008200816.0medium000100
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene
1
monoterpenoid;
organobromine compound;
organochlorine compound		algal metabolite;
antineoplastic agent;
marine metabolite		201820186.0medium000010
ilomastat
1
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent		2007200717.0low000100
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer
1
201620168.0low000010
ritrosulfan
1
2008200816.0low000100
sinensetin
1
pentamethoxyflavoneplant metabolite2012201212.0low000010
harmalol hydrochloride
1
2012201212.0medium000010
dichloro-1,2-diaminocyclohexane platinum complex
1
201620168.0medium000010
1,4-di(2'-thienyl)-1,4-butadione
1
201620168.0medium000010
damvar
1
2008200816.0medium000100
hyoscyamine
1
tropane alkaloid2012201212.0low000010
idazoxan hydrochloride
1
201620168.0low000010
schizandrin a
1
2012201212.0low000010
pseudonicotine
1
3-(1-methylpyrrolidin-2-yl)pyridine201820186.0low000010
methyl 5-aminolevulinate hydrochloride
1
hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		201620168.0medium000010
schizandrin b
1
aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin		anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite		2012201212.0medium000010
antazoline phosphate
1
201620168.0medium000010
cryptotanshinone
1
abietane diterpenoidanticoronaviral agent2012201212.0low000010
isosakuranetin
1
(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite2012201212.0low000010
benzo-tepa
1
2008200816.0medium000100
tevenel
1
sulfonamide2008200816.0medium000100
deferrioxamine e
1
cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle		antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore		201820186.0low000010
isovitexin
1
C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		2012201212.0low000010
tac 278
1
2008200816.0low000100
sclareol
1
labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite		2012201212.0low000010
tanshinone ii a
2
abietane diterpenoid2007201214.5low000110
4'-hydroxyflavanone
1
4'-hydroxyflavanones;
monohydroxyflavanone		201820186.0low000010
pridinol mesylate
1
201620168.0medium000010
leucodin
1
sesquiterpene lactone2012201212.0low000010
aminopterin
1
dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen		2008200816.0low000100
17 alpha-hydroxyprogesterone caproate
1
corticosteroid hormone201620168.0low000010
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid
1
2008200816.0low000100
atropine
2
2008201612.0low000110
limonin
1
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		2012201212.0low000010
cucurbitacin r
1
23,24-dihydrocucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		1994199430.0medium001000
deflazacort
1
corticosteroid hormone2008200816.0low000100
hexestrol diphosphate
1
2008200816.0medium000100
carbocysteine
1
L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic2008200816.0low000100
maduramicin
1
2012201212.0low000010
5-fluorotryptamine monohydrochloride
1
201620168.0medium000010
chelidonine
1
alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid		2012201212.0low000010
piribedil mesylate
1
201620168.0medium000010
troleandomycin
1
acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic		2012201212.0low000010
serc
1
201620168.0medium000010
procyclidine hydrochloride
1
hydrochloride201620168.0low000010
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
1
macrolide201620168.0medium000010
demecolcine
2
alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent		1990200825.0low001100
santonin
1
botanical anti-fungal agent;
santonin		plant metabolite2012201212.0low000010
sitosterol, (3beta)-isomer
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor		2012201212.0low000010
cortisone
1
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
equilin
1
17-oxo steroid;
3-hydroxy steroid		201620168.0low000010
adrenosterone
1
11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite		201620168.0low000010
gossypol acetic acid
1
201620168.0low000010
epinastine
1
corticosteroid hormone201620168.0low000010
benzatropine methanesulfonate
1
201620168.0medium000010
4',6-dihydroxy-5,7-dimethoxyflavone
1
dihydroxyflavone;
dimethoxyflavone		201620168.0medium000010
2-hydroxyestradiol
1
17beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug		201620168.0low000010
medrysone
1
corticosteroid hormone201620168.0low000010
artisone acetate
1
corticosteroid hormone201620168.0medium000010
vincristine sulfate
1
organic sulfate saltantineoplastic agent;
geroprotector		2012201212.0low000010
anisomycin
2
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor		2004201216.0low000110
chondocurine (1beta)-(+-)-isomer
1
aromatic ether201620168.0low000010
nsc-89199
1
carbamate ester;
organochlorine compound;
steroid phosphate		2008200816.0medium000100
estramustine
1
17beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent		2008200816.0low000100
lupeol
1
pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory drug;
plant metabolite		201820186.0low000010
acetylstrophanthidin
1
acetate esteranti-arrhythmia drug2012201212.0low000010
phenethicillin
1
penicillin allergen;
penicillin		2008200816.0low000100
Harringtonine
1
alkaloid2012201212.0low000010
indicine-n-oxide
1
2008200816.0low000100
acivicin
1
isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite		2012201212.0low000010
ketopinic acid
1
2012201212.0medium000010
4-methoxyxanthone
1
201620168.0low000010
wortmannin
1
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		2012201212.0low000010
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
1
amine201620168.0medium000010
pentabromopseudilin
1
pyrrolesmetabolite202120213.0low000001
gitoxigenin
1
14beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid		2012201212.0low000010
graveoline
1
quinolines2012201212.0low000010
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en
1
2012201212.0low000010
trimethoprim, sulfamethoxazole drug combination
1
2008200816.0low000100
sampangine
1
alkaloid;
organic heterotetracyclic compound		antifungal agent;
plant metabolite		2001200123.0low000100
crinine
1
alkaloid201820186.0low000010
naringenin
1
(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite		2012201212.0low000010
oxytocin
1
heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent		2008200816.0low000100
ouabain
2
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite		2012201610.0low000020
puromycin
2
puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor		1990201223.0low001010
taxifolin
1
taxifolinmetabolite2012201212.0low000010
mandelic acid, (s)-isomer
1
(2S)-2-hydroxy monocarboxylic acid;
mandelic acid		201620168.0medium000010
tosylphenylalanyl chloromethyl ketone
1
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		201620168.0low000010
pentostatin
1
coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor		2008200816.0low000100
mimosine
1
4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite		2012201212.0low000010
cortodoxone
1
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
eriodictyol
1
3'-hydroxyflavanones;
tetrahydroxyflavanone		2012201212.0low000010
arbutin
1
beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite		2012201212.0low000010
strychnine
1
monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide		201820186.0low000010
quinidine
1
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker		2012201212.0low000010
conessine
1
steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite		2012201212.0low000010
griseofulvin
1
1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite		2012201212.0low000010
monensin
1
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		2007200717.0low000100
cefoxitin
1
beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
digitoxin
2
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2008201214.0low000110
hyperforin
1
2012201212.0low000010
netilmicin
1
2008200816.0low000100
acebutolol hydrochloride
1
hydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent		201620168.0low000010
amiodarone hydrochloride
1
aromatic ketone201620168.0low000010
dicyclomine hydrochloride
1
hydrochlorideantispasmodic drug;
muscarinic antagonist		201620168.0low000010
nortriptyline hydrochloride
1
organic tricyclic compoundgeroprotector201620168.0low000010
bacampicillin
1
penicillanic acid esterprodrug2008200816.0low000100
deltaline
1
acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound		2012201212.0medium000010
ingenol
1
cyclic terpene ketone;
tetracyclic diterpenoid		2012201212.0low000010
angustibalin
1
sesquiterpene lactone2008200816.0medium000100
cephaelin
1
pyridoisoquinoline2003200321.0low000100
micheliolide
1
sesquiterpene lactone201820186.0low000010
picrotin
1
diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite2012201212.0low000010
picrotoxinin
1
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist		2012201212.0low000010
naringin
1
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite		2012201212.0low000010
isonaringin
1
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite		2012201212.0low000010
ochratoxin a
1
isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent		2012201212.0low000010
gingerol
1
beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite		2012201212.0low000010
securinine
1
indolizines2012201212.0low000010
Dubinidine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2012201212.0low000010
cyclopamine
2
piperidinesglioma-associated oncogene inhibitor2007201214.5low000110
acetylleucyl-leucyl-norleucinal
1
aldehyde;
tripeptide		cysteine protease inhibitor2007200717.0low000100
pancracine
1
isoquinoline alkaloid fundamental parent;
isoquinoline alkaloid		201820186.0low000010
difluprednate
1
butyrate ester;
corticosteroid hormone		201620168.0low000010
doxorubicin hydrochloride
1
anthracycline2012201212.0low000010
metrizamide
1
amino sugar2008200816.0low000100
dironyl
1
organic molecular entity201620168.0low000010
vinpocetine
2
alkaloidgeroprotector2012201610.0low000020
amcinonide
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug201620168.0low000010
flumethasone pivalate
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
dihydroergocristine monomesylate
2
methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent		2012201610.0medium000020
trichostatin a
1
antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		2007200717.0low000100
tretinoin
2
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		2012201610.0low000020
resveratrol
2
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		2012201610.0low000020
retinol
1
retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite		2008200816.0low000100
ferulic acid
2
ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite		201220189.0low000020
thapsigargin
2
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2007201214.5low000110
mycophenolic acid
2
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		2008201214.0low000110
clindamycin
1
2008200816.0low000100
fosfomycin
1
epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor		2008200816.0low000100
formycin
1
formycinantineoplastic agent2008200816.0low000100
adenosine-5'-(n-ethylcarboxamide)
1
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		201620168.0low000010
histidyl-proline diketopiperazine
1
dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine		anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite		201620168.0medium000010
alitretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist		2012201212.0low000010
L-cycloserine
1
4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor		2012201212.0low000010
afimoxifene
1
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		201620168.0low000010
teniposide
3
aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		1990200826.0medium002100
12-deoxyphorbol 13-acetate
1
phorbol estermetabolite2012201212.0low000010
ketoconazole
1
cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine201620168.0low000010
cefamandole
1
cephalosporin;
semisynthetic derivative		antibacterial drug2008200816.0low000100
dactinomycin
3
actinomycinmutagen1990201224.7low002010
tiazofurin
1
1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug		2008200816.0low000100
aphidicolin
3
tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite		2007201612.3low000120
azaserine
2
carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite		2008201612.0low000110
melphalan
3
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		1990200826.0low002100
(+)-usnic acid
1
usnic acid2012201212.0low000010
beta, beta-dimethylacrylshikonin, (+)-isomer
1
hydroxy-1,4-naphthoquinone2012201212.0medium000010
shikonin
1
hydroxy-1,4-naphthoquinone2012201212.0low000010
maltitol
1
alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent		201620168.0low000010
dipyrone
1
organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug		2008200816.0low000100
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
1
alkylbenzene2008200816.0medium000100
aceglatone
1
organic molecular entity2008200816.0medium000100
carbenoxolone
1
2008200816.0low000100
rhapontin
1
rhaponticinangiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite		2012201212.0low000010
chalcone
1
chalconeEC 3.2.1.1 (alpha-amylase) inhibitor201620168.0low000010
piperine
2
benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite		201220189.0low000020
thermospine
1
201620168.0medium000010
trichodermamide b
1
201820186.0medium000010
dibenzylidene acetone
1
201620168.0low000010
rauwolscine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylate2012201212.0low000010
gw9662
1
benzamides2007200717.0low000100
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone
1
cycloheptafuran201620168.0medium000010
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester
1
2-methoxyethyl ester;
benzofurans		201620168.0medium000010
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid
1
indolyl carboxylic acid201620168.0medium000010
haplamine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		201620168.0low000010
amygdalin
2
amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite		2008201214.0medium000110
mitobronitol
1
alcohol;
organobromine compound		2008200816.0low000100
hydrastine, (r-(r*,s*))-isomer
1
isoquinolines2012201212.0low000010
leuprolide
1
oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist		2008200816.0low000100
octotropine methylbromide
2
2008201612.0low000110
diethylstilbestrol dipropionate
1
201620168.0low000010
fludarabine
1
purine nucleoside2008200816.0low000100
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol
1
alkylbenzene201620168.0low000010
glycerylphosphorylcholine
1
phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite		201620168.0medium000010
n-methylscopolamine nitrate
1
201620168.0medium000010
propylthiouracil
2
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist		2008201612.0low000110
phenytoin sodium
1
201620168.0medium000010
nsc 4347
1
201620168.0low000010
ipratropium bromide anhydrous
1
201620168.0low000010
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide
1
benzamides201620168.0medium000010
methamilane methiodide
1
201620168.0medium000010
physostigmine salicylate
1
azaheterocycle salicylate salt;
salicylates		201620168.0low000010
pilocarpine nitrate
1
201620168.0low000010
n(6)-cyclopentyladenosine
1
201620168.0low000010
methylatropine nitrate
2
2008201612.0medium000110
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid
1
coumarins201620168.0medium000010
prothionamide
1
pyridines201620168.0low000010
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
1
benzoxazine201620168.0medium000010
dienestrol
1
201620168.0low000010
mercaptopurine
2
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		1990200825.0low001100
methylthiouracil
1
pyrimidone201620168.0low000010
vasicine
1
2012201212.0low000010
3,3',4,5'-tetrahydroxystilbene
1
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		2012201212.0low000010
thioinosine
1
2008200816.0low000100
4-methoxy-N-(3-pyridinylmethyl)benzamide
1
benzamides201620168.0medium000010
caffeic acid
2
caffeic acidgeroprotector;
mouse metabolite		2012201610.0low000020
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester
1
coumarins201620168.0medium000010
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide
1
phthalimides201620168.0medium000010
urocanic acid
1
urocanic acidhuman metabolite201620168.0low000010
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
1
stilbenoid201620168.0medium000010
cotinine
1
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		2012201212.0low000010
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
1
oxadiazole;
ring assembly		201620168.0medium000010
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid
1
psoralens201620168.0medium000010
heliotrine
1
pyrrolizines2012201212.0low000010
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
1
pyrimidotriazine201620168.0medium000010
sclareolide
1
naphthofuran2012201212.0low000010
flunarizine
1
diarylmethane2007200717.0low000100
thiothixene
1
N-methylpiperazineanticoronaviral agent201620168.0low000010
curcumin
1
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		201620168.0low000010
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one
1
pyridochromene201620168.0medium000010
hypocrellin b
1
2012201212.0low000010
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
1
chromones201620168.0medium000010
2',4',6'-Trihydroxydihydrochalcone
1
chalcones201720177.0medium000010
thiouracil
1
nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite		2008200816.0low000100
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid
1
coumarins201620168.0medium000010
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one
1
coumarins201620168.0medium000010
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone
1
quinolines201620168.0medium000010
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one
1
coumarins201620168.0medium000010
methimazole
1
1,3-dihydroimidazole-2-thionesantithyroid drug2008200816.0low000100
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide
1
aromatic amide;
furans		201620168.0medium000010
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
1
quinolines201620168.0medium000010
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide
1
quinolines201620168.0medium000010
cinnarizine
1
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		201620168.0low000010
capsaicin
1
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker		2012201212.0low000010
aurapten
1
coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary		2012201212.0low000010
chlorogenic acid
1
cinnamate ester;
tannin		food component;
plant metabolite		2012201212.0low000010
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone
1
stilbenoid201620168.0medium000010
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
1
benzothiazoles201620168.0medium000010
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
1
dimethoxybenzene201620168.0medium000010
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester
1
flavones;
tert-butyl ester		201620168.0medium000010
thioguanine anhydrous
1
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		2008200816.0low000100
ethylenethiourea
1
imidazolidines201620168.0low000010
tacrine hydrochloride
1
201620168.0low000010
p-aminosalicylic acid monosodium salt
1
organic molecular entity201620168.0low000010
digoxin
2
cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope		2008201612.0low000110
6-thioguanosine
1
purine nucleoside2008200816.0low000100
mecysteine hydrochloride
1
alpha-amino acid ester201620168.0medium000010
streptozocin
2
1996200822.0medium001100
fumonisin b2
1
diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent		2012201212.0low000010
tamoxifen
2
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		1990200725.5low001100
ethionamide
2
pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug		2008201612.0low000110
2-(2-furanyl)-4-thiazolidinecarboxylic acid
1
organonitrogen compound;
organooxygen compound		201620168.0medium000010
dihydrosamidine
1
201620168.0medium000010
N-(2-methoxycyclohexyl)-3,4-dimethylaniline
1
methylbenzene201620168.0medium000010
eskazine
1
201620168.0low000010
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione
1
methylbenzene201620168.0medium000010
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester
1
isopropyl ester;
piperazines		201620168.0medium000010
zeranol
1
macrolide201620168.0low000010
lincomycin
2
carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite		2008201214.0low000110
valinomycin
2
cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore		1990201223.0low001010
thiocarlide
1
thioureas2008200816.0low000100
helvolic acid
1
3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin		201820186.0low000010
4-diphenylacetoxy-n-methylpiperidine methiodide
1
iodide salt;
quaternary ammonium salt		cholinergic antagonist;
muscarinic antagonist		1990199034.0low001000
mannomustine
1
amino alcohol2008200816.0low000100
monooctanoin
1
1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol		201620168.0low000010
gestodene
1
steroidestrogen2008200816.0low000100
glucametacin
1
2008200816.0low000100
orlistat
1
beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor		2012201212.0low000010
quinine
1
cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic		2007200717.0low000100
mitragynine
1
monoterpenoid indole alkaloid201820186.0low000010
12-deoxyphorbolphenylacetate-20-acetate
1
2012201212.0low000010
brassinin
1
dithiocarbamic ester;
indole phytoalexin		2012201212.0low000010
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea
1
2008200816.0medium000100
chaetomellic acid a
1
2012201212.0low000010
paynantheine
1
201820186.0medium000010
hirsutine
1
2012201212.0low000010
3-deoxyvasicine, hydrochloride
1
2012201212.0medium000010
pentachloropseudilin
1
202120213.0low000001
emetine dihydrochloride
1
hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor		2012201212.0low000010
chimonanthine
1
chimonanthine201820186.0low000010
trimethoprim
1
201620168.0medium000010
salinomycin
1
polyketide;
spiroketal		animal growth promotant;
potassium ionophore		2012201212.0low000010
silybin
1
2012201212.0low000010
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid
1
peptide201620168.0medium000010
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide
1
dimethoxybenzene201620168.0medium000010
3-acetyl-6-methyl-1H-quinolin-4-one
1
quinolines201620168.0medium000010
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone
1
aryl sulfide201620168.0medium000010
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
1
imidazolidines201620168.0medium000010
Anthraniloyllycoctonine
1
diterpene alkaloid201620168.0medium000010
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
1
aromatic amide201620168.0medium000010
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1
harmala alkaloid201620168.0medium000010
3-deoxyisoochracinic acid
1
201820186.0medium000010
diclofenac sodium
1
organic sodium salt201620168.0low000010
5,6-dehydrokawain
1
2-pyranones;
aromatic ether		2012201212.0low000010
9,10-dihydrolysergol
1
2012201212.0low000010
geranylgeranic acid
1
alpha,beta-unsaturated monocarboxylic acid;
diterpenoid;
methyl-branched fatty acid;
trienoic fatty acid		2012201212.0low000010
quercetin
2
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		201220217.5low000011
dinoprostone
1
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		2012201212.0low000010
dinoprost
1
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		2012201212.0low000010
biochanin a
2
4'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2012201610.0low000020
formononetin
1
4'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant metabolite		2012201212.0low000010
prostaglandin b1
2
prostaglandins Bhuman metabolite2012201610.0low000020
sterigmatocystin
1
sterigmatocystinsmetabolite2012201212.0low000010
vitexin
1
C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		2012201212.0low000010
acacetin
1
dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite		2012201212.0low000010
apigenin
1
trihydroxyflavoneantineoplastic agent;
metabolite		2012201212.0low000010
luteolin
1
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		2012201212.0low000010
quercitrin
1
alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite		2012201212.0low000010
scopoletin
1
hydroxycoumarinplant growth regulator;
plant metabolite		2012201212.0low000010
hymecromone
2
hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor		2008201214.0low000110
luteolin-7-glucoside
1
beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite		201820186.0low000010
alprostadil
2
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		2008201214.0low000110
quercetin 3-o-glucopyranoside
1
beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite		2012201212.0low000010
rutin
2
disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite		201220189.0low000020
kaempferol
2
7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite		201220217.5low000011
senecionine
1
lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite2012201212.0low000010
prostaglandin f1
1
prostaglandins Falphahuman metabolite201620168.0low000010
harmine
1
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite		201820186.0low000010
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
amphotericin b
5
antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite		2001201218.4low000410
pulmicort
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen		201620168.0low000010
timolol maleate
1
maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		201620168.0low000010
brompheniramine maleate
1
maleate saltanti-allergic agent201620168.0low000010
butein
1
chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor		2012201212.0low000010
sulfuretin
1
1-benzofurans2012201212.0low000010
cucurbitacin d
1
cucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		1994199430.0low001000
nsc 106399
1
cucurbitacin;
tertiary alpha-hydroxy ketone		1994199430.0low001000
cucurbitacin i
1
cucurbitacin;
tertiary alpha-hydroxy ketone		antineoplastic agent;
plant metabolite		1994199430.0low001000
genistin
1
7-hydroxyisoflavones 7-O-beta-D-glucoside2012201212.0low000010
chartreusin
1
benzochromenone;
glycoside		2012201212.0low000010
methysticin
1
2-pyranones;
aromatic ether		2012201212.0medium000010
yangonin
1
2-pyranones;
aromatic ether		2012201212.0low000010
zearalenone
2
macrolide;
resorcinols		fungal metabolite;
mycoestrogen		2012201610.0low000020
baicalein
2
trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger		201220189.0low000020
chrysin
1
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		2012201212.0low000010
datiscetin
1
7-hydroxyflavonol;
tetrahydroxyflavone		2012201212.0low000010
diosmetin
1
3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent		2012201212.0low000010
diosmin
1
dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant		2012201212.0low000010
fisetin
2
3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite		201220189.0low000020
galangin
1
7-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite		2012201212.0low000010
3-methylquercetin
1
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite		2012201212.0low000010
morin
1
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent		2012201212.0low000010
myricetin
1
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		2012201212.0low000010
rhamnetin
1
monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite		2012201212.0low000010
robinetin
1
7-hydroxyflavonol;
pentahydroxyflavone		plant metabolite2012201212.0low000010
tamarixetin
1
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite		2012201212.0low000010
wogonin
2
dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite		201220189.0low000020
coumestrol
1
coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite		2012201212.0low000010
daidzein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		2012201212.0low000010
cynarine
1
alkyl caffeate ester;
quinic acid		plant metabolite2008200816.0low000100
caffeic acid phenethyl ester
2
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		2007201214.5low000110
rosmarinic acid
1
rosmarinic acidgeroprotector;
plant metabolite		2012201212.0low000010
wedelolactone
1
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		2012201212.0low000010
maytansine
1
alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator		1990199034.0low001000
rottlerin
1
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		2012201212.0low000010
ellagic acid
1
catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent		2012201212.0low000010
7-hydroxyflavone
1
hydroxyflavonoid2012201212.0low000010
estriol 17-glucuronide
1
steroid saponin201620168.0medium000010
prostaglandin a1
1
prostaglandins A2012201212.0low000010
curacin a
1
thiazoles1996199628.0low001000
cerulenin
1
epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor		2012201212.0low000010
rhoifolin
1
dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite2012201212.0low000010
vitexin rhamnoside
1
C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone		plant metabolite2012201212.0medium000010
tranilast
1
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent		201620168.0low000010
7432 s
1
cephalosporin;
dicarboxylic acid		antibacterial drug2008200816.0low000100
domoic acid
1
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin		2012201212.0low000010
4-hydroxyestradiol
1
4-hydroxy steroidmetabolite201620168.0low000010
menatetrenone
1
menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent		201620168.0low000010
isotretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2012201212.0low000010
xylometazoline hydrochloride
1
201620168.0low000010
ketotifen fumarate
1
organoammonium saltanti-asthmatic drug;
H1-receptor antagonist		201620168.0low000010
dinoprost tromethamine
1
organic molecular entity201620168.0low000010
hydrocortisone valerate
1
cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester		201620168.0low000010
prostaglandin f2 methyl ester
1
prostanoid201620168.0low000010
2-bromoergocryptine mesylate
1
201620168.0medium000010
codeine
1
morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic		2008200816.0low000100
cyclosporine
3
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		2007201215.0low000210
perhexiline maleate
1
201620168.0low000010
phenoxybenzamine hydrochloride
1
organic molecular entity201620168.0low000010
phenylephrine hydrochloride
1
hydrochloride201620168.0low000010
natamycin
1
antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug		2012201212.0low000010
mepyramine maleate
1
201620168.0low000010
dihydrocodeine
1
morphinane alkaloid2008200816.0low000100
ethisterone
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin		201620168.0low000010
ly 163892
1
carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent		2008200816.0low000100
nalmefene
1
morphinane alkaloid201620168.0low000010
naloxone
1
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2008200816.0low000100
sirolimus
2
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		2007201214.5low000110
6alpha-hydroxy-17beta-estradiol
1
6alpha-hydroxy steroid201620168.0medium000010
brefeldin a
2
macrolide antibioticPenicillium metabolite2009201213.5low000110
blebbistatin
1
blebbistatin;
tertiary alpha-hydroxy ketone		202120213.0low000001
geldanamycin
1
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor		2007200717.0low000100
morphine
1
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic		2008200816.0low000100
pactamycin
1
2008200816.0low000100
anthramycin
1
2008200816.0low000100
desoximetasone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
lacidipine
1
cinnamate ester;
tert-butyl ester		2008200816.0low000100
u-44619
1
201620168.0low000010
vinorelbine
2
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent		2008201214.0low000110
bisdemethoxycurcumin
1
beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite		2012201212.0low000010
kaempferol 3-o-rhamnoside
1
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		anti-inflammatory agent;
antibacterial agent;
plant metabolite		201820186.0low000010
irisquinone
1
2008200816.0medium000100
andrographolide
1
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		2012201212.0low000010
isorhamnetin 3-o-glucoside
1
beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite2012201212.0low000010
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
1
dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor		201820186.0low000010
furazolidone
1
201620168.0low000010
tyrphostin ag 555
1
201620168.0low000010
nifuroxazide
1
benzoic acids201620168.0low000010
mitoguazone
1
guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor		2008200816.0low000100
6,7-dihydroxyflavone
1
2012201212.0low000010
molsidomine
1
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		201620168.0low000010
rg 13022
1
201620168.0low000010
flavokawain a
1
chalcones2012201212.0low000010
flavokawain b
1
chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		2012201212.0low000010
styrylquinoline
1
2-styrylquinoline201620168.0low000010
cefixime
1
cephalosporinantibacterial drug;
drug allergen		2008200816.0low000100
ramipril
1
azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug		2008200816.0low000100
kavain
2
racemateglycine receptor antagonist2012201610.0medium000020
abscisic acid, (+,-)-isomer
1
abscisic acidsabscisic acid receptor agonist2012201212.0medium000010
veratrine
1
alkaloid2012201212.0low000010
radicinin
1
aromatic ketone201820186.0low000010
enalapril maleate
1
maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		201620168.0low000010
enalapril
1
dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug		2008200816.0low000100
trimebutine maleate salt
1
trihydroxybenzoic acid201620168.0low000010
vinblastine sulfate
2
2012201610.0low000020
vincristine sulfate
1
201620168.0medium000010
calycanthine
1
aminal;
calycanthaceous alkaloid;
organonitrogen heterocyclic compound		201820186.0low000010
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one
1
isoflavones201620168.0medium000010
nitrofurazone
1
2008200816.0low000100
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid
1
peptide201620168.0medium000010
catharanthine
1
alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		2012201212.0low000010
cytochalasin e
1
cytochalasan alkaloidmetabolite2012201212.0low000010
cytochalasin d
2
2007201214.5high000110
n-methylscopolamine bromide
1
201620168.0low000010
sinomenine
1
morphinane alkaloid2012201212.0low000010
ecdysterone
1
14alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite		2012201212.0low000010
bleomycin
2
bleomycinantineoplastic agent;
metabolite		1990201223.0low001010
bakuchiol
1
2012201212.0low000010
zerumbone
1
cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite		2012201212.0low000010
solanesol
1
nonaprenol;
primary alcohol		plant metabolite2012201212.0low000010
cefuroxime
1
3-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen2008200816.0low000100
ceftriaxone
1
1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor		2008200816.0low000100
ceftazidime
1
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor		2008200816.0low000100
xanthoepocin
1
201820186.0medium000010
naltrexone hydrochloride
1
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		201620168.0low000010
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
1
yohimban alkaloid2012201212.0medium000010
guanabenz acetate
1
dichlorobenzenegeroprotector201620168.0low000010
nylidrin hydrochloride
1
alkylbenzene201620168.0low000010
triprolidine hydrochloride anhydrous
1
hydrochlorideH1-receptor antagonist201620168.0low000010
phentolamine
1
201620168.0low000010
fendiline hydrochloride
1
201620168.0low000010
tiapridex
1
benzamides201620168.0low000010
nab-365
1
hydrochloridebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		201620168.0medium000010
n-caproylsphingosine
1
N-acylsphingosine2012201212.0low000010
dithiazanine iodide
1
benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome		201620168.0medium000010
monorden
1
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
ginkgolide b
1
2012201212.0low000010
ceftiofur
1
2008200816.0medium000100
sinequan
1
dibenzooxazepine201620168.0low000010
homatropine hydrobromide, (endo-(+-)-isomer)
1
2012201212.0low000010
hydrocotarnine hydrobromide
1
2012201212.0low000010
salsolinol hydrobromide
1
2012201212.0medium000010
buflomedil hydrochloride
1
aromatic ketone201620168.0low000010
moxisylyte hydrochloride
1
monoterpenoid201620168.0low000010
lasalocid sodium
1
benzoates;
organic sodium salt		coccidiostat;
ionophore		2012201212.0low000010
cilastatin
1
carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic		2008200816.0low000100
sclerotiorin
1
azaphilone2012201212.0low000010
latrunculin b
1
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		2007200717.0low000100
bafilomycin a1
1
cyclic hemiketal;
macrolide antibiotic;
oxanes		apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin		2007200717.0low000100
himbacine
1
gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid		muscarinic antagonist2012201212.0low000010
ebelactone b
1
2012201212.0low000010
sibiromycin
1
aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite		2008200816.0low000100
3-o-methylbutein
1
chalcones2012201212.0medium000010
thermozymocidin
1
alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent		2012201212.0low000010
herboxidiene
1
201820186.0low000010
marein
1
flavonoids;
glycoside		2012201212.0low000010
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
1
germacranolide201820186.0medium000010
dirithromycin
1
macrolide antibioticprodrug201620168.0low000010
2',4',6'-trihydroxychalcone
1
chalconesantifungal agent;
plant metabolite		201720177.0low000010
panduratin a
1
diarylheptanoidmetabolite201820186.0low000010
tanespimycin
1
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		2007200717.0low000100
ceftizoxime
1
cephalosporinantibacterial drug2008200816.0low000100
1-methyl-d-lysergic acid butanolamide
1
ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent		2008200816.0low000100
fluphenazine
1
201620168.0medium000010
homochlorocyclizine monohydrochloride
1
201620168.0medium000010
butoxamine hydrochloride
1
201620168.0medium000010
scopolamine hydrobromide
1
201620168.0low000010
protriptyline hydrochloride
1
hydrochlorideantidepressant201620168.0low000010
emetine hydrochloride
1
201620168.0medium000010
nitrofurantoin
1
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent		2008200816.0low000100
ca 074 methyl ester
1
2007200717.0low000100
hydroxyachillin
1
gamma-lactone2012201212.0medium000010
epinephrine bitartrate
1
201620168.0low000010
bicuculline methobromide
1
201620168.0low000010
6 beta-hydroxycortisol
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe		201620168.0low000010
butylscopolammonium bromide
3
2008201612.0low000120
androst-16-en-3-one
1
3-oxo steroid;
androstanoid		mammalian metabolite;
pheromone		201620168.0low000010
butaclamol hydrochloride
1
201620168.0low000010
dihydroouabain
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent		201620168.0medium000010
LSM-6455
1
peptide ergot alkaloid201620168.0medium000010
estradiol 17-acetate
1
steroid ester201620168.0low000010
fumagillin
2
antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor		2008201214.0low000110
artesunate
1
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		2012201212.0low000010
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
1
oligopeptide201820186.0low000010
anisodamine
1
2012201212.0medium000010
13-epi-sclareol
1
201820186.0low000010
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
1
pyrrolidines201620168.0medium000010
bufalin
1
14beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug		2012201212.0low000010
alpha-solanine
1
glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite		2012201212.0medium000010
thioacetazone
1
2008200816.0low000100
apigenin-7-o-rutinoside
1
2012201212.0medium000010
gambogic acid
1
pyranoxanthonesmetabolite2012201212.0low000010
3-morpholino-sydnonimine monohydrochloride
1
201620168.0low000010
treosulfan
1
methanesulfonate ester2008200816.0low000100
dapagliflozin
1
aromatic ether;
C-glycosyl compound;
monochlorobenzenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor		201720177.0low000010
gentamicin sulfate
1
2008200816.0low000100
bn 52020
1
2012201212.0low000010
nkp 608
1
2008200816.0medium000100
ganu
1
2008200816.0low000100
carmine
1
C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye		2012201212.0low000010
akuammicine
1
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite201820186.0low000010
bavachinin
1
flavanones2012201212.0low000010
hermitamide b
1
201820186.0medium000010
trans-delta-tocotrienoloic acid
1
tocotrienol201820186.0low000010
cefotaxime sodium
1
organic sodium salt201620168.0low000010
nodulisporic acid a
1
201820186.0low000010
grayanotoxin iii
2
2007201214.5low000110
metamelfalan
1
2008200816.0medium000100
Dihydrotanshinone I
1
abietane diterpenoidanticoronaviral agent2012201212.0low000010
vindesine
2
1990200825.0medium001100
scopadulcic acid b
1
201820186.0low000010
gliocladin c
1
201820186.0low000010
zincophorin
1
pyransbacterial metabolite;
ionophore		201820186.0low000010
streptazolin
1
201820186.0low000010
chatancin
1
201820186.0medium000010
diflucortolone
1
21-hydroxy steroid2008200816.0low000100
calcimycin
1
benzoxazole2012201212.0low000010
cinobufagin
1
steroid lactone2012201212.0low000010
morelloflavone
1
biflavonoid;
hydroxyflavanone;
hydroxyflavone		plant metabolite201820186.0low000010
cinnamosmolide
1
201820186.0medium000010
atropine sulfate
1
2012201212.0low000010
cannogenin thevetoside
1
cardenolide glycoside2012201212.0low000010
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose
1
2008200816.0medium000100
ro 6-4563
1
monoterpenoid2008200816.0medium000100
eriodictyol 7-O-beta-D-glucopyranoside
1
beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger		2012201212.0medium000010
15-deoxygoyazensolide
1
201820186.0medium000010
hypocrellin a
1
2012201212.0low000010
simalikalactone D
1
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite		2004200420.0medium000100
mitragynine
1
201820186.0medium000010
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
1
pyrazoles;
ring assembly		201620168.0medium000010
dihydrorobinetin
1
2012201212.0medium000010
flucloronide
1
21-hydroxy steroid2008200816.0medium000100
spongia-13(16),14-dien-19-oic acid
1
cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite		201820186.0medium000010
roquefortine
1
pyrroloindole201820186.0medium000010
3-(3,4-dihydroxyphenyl)lactate
1
hydroxy monocarboxylic acid anion201820186.0medium000010
nothofagin
1
201720177.0low000010
bucladesine
1
3',5'-cyclic purine nucleotide201620168.0low000010
ampicillin sodium
1
organic sodium salt201620168.0low000010
penicillin g potassium
1
organic potassium salt201620168.0low000010
piperacillin sodium
1
organic sodium salt201620168.0low000010
monensin
1
2012201212.0medium000010
cefoxitin sodium
1
organic molecular entity201620168.0low000010
nafcillin sodium
1
organic sodium salt201620168.0low000010
cefamandole nafate
1
organic sodium saltantibacterial drug201620168.0low000010
sodium diatrizoate
1
organic sodium salt;
organoiodine compound		radioopaque medium201620168.0low000010
estrone sulfate, potassium salt
1
201620168.0medium000010
cefazolin sodium
1
organic sodium salt201620168.0low000010
naproxen sodium
1
organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
marinopyrrole a
1
aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite		201820186.0low000010
colletoic acid
1
201820186.0medium000010
hainanolide
1
2008200816.0low000100
golgicide a
1
diastereoisomeric mixturecis-Golgi ArfGEF GBF inhibitor2009200915.0low000100
ipomoeassin f
1
201820186.0low000010
gliocladic acid
1
p-menthane monoterpenoid2008200816.0medium000100
6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-9-(2-methylpropyl)-9h-xanthene-1,3-dione
1
xanthenes201820186.0medium000010
7-hydroxymitragynine
1
alkaloid201820186.0low000010
dorrigocin b
1
201820186.0medium000010
dorrigocin a
1
201820186.0low000010
cleistanthin
1
cleistanthins;
xylose derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic		2008200816.0low000100
nimorazole
1
2008200816.0low000100
tatanan a
1
201820186.0medium000010
ascorbic acid
1
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		2008200816.0low000100
novobiocin
3
carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent		1990200826.0low002100
tetracycline
1
2008200816.0low000100
chlortetracycline
1
2008200816.0low000100
oxytetracycline, anhydrous
2
2008201612.0low000110
minocycline
2
2008201214.0low000110
dicumarol
1
hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist		2012201212.0low000010
piroxicam
1
benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		201620168.0low000010
acenocoumarol
1
C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor		201620168.0low000010
bactobolin
1
amino acid amide2008200816.0low000100
mobic
1
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		201620168.0low000010
mobiflex
2
heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2008201612.0low000110
demeclocycline
1
2008200816.0low000100
citrinin
1
2012201212.0low000010
demeclocycline hydrochloride
1
201620168.0low000010
vulpinic acid
1
butenolide2012201212.0low000010
ilicicolin h
1
aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone		antimicrobial agent;
mitochondrial respiratory-chain inhibitor		201820186.0low000010
ajmaline
1
2012201212.0medium000010
tatanan b
1
201820186.0medium000010
gracilioether f
1
201820186.0medium000010
cryptocaryol a
1
2-pyranones;
pentol		plant metabolite201820186.0medium000010
tetrahydroamentoflavone
1
201820186.0medium000010
acyclovir
2
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2008201612.0low000110
inosine
1
inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201620168.0low000010
rifampin
3
cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor		2001201217.0low000210
clozapine
2
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic		2007201612.5low000110
dacarbazine
1
dacarbazine2008200816.0low000100
ganciclovir
2
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		2008201612.0low000110
kf38789
1
201620168.0low000010
allopurinol
2
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2008201612.0low000110
azaguanine
1
nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor		2008200816.0low000100
alanosine
1
2008200816.0low000100
pralidoxime iodide
1
organic iodide salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator		201620168.0medium000010
7-deazaguanosine
1
2008200816.0low000100
pyrazofurin
1
C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor		2008200816.0low000100
nataxazole
1
201820186.0medium000010
n(10)-methylfolate
1
folic acids2008200816.0low000100
5-methyltetrahydrohomofolic acid
1
2008200816.0low000100
pralidoxime chloride
1
organic chloride salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator		201620168.0low000010
alpha-cyclopiazonic acid
2
alpha-cyclopiazonic acids2007201214.5medium000110
ninopterin
1
2008200816.0medium000100
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
chloroacetaldehyde
2
organochlorine compound2003200520.0low000200
2-keto-4-methylvalerate
3
2-oxo monocarboxylic acid;
branched-chain keto acid		algal metabolite;
human metabolite		1984200233.3low020100
gamma-aminobutyric acid
4
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		1976199938.0low031000
ethylene glycol
4
ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin		2002200918.0low000400
acetaldehyde
3
aldehydecarcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent		2003200818.7low000300
acetone
3
ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent		1974201233.7low020010
adenine
25
6-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1975201823.9low0551230
ammonium hydroxide
3
azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant		1977198046.0low030000
quinacrine
8
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		1980201032.4low042200
benzene
1
aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent		2009200915.0low000100
benzyl alcohol
1
benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent		1990199034.0low001000
bromide
1
halide anion;
monoatomic bromine		1977197747.0low010000
1-butanol
6
alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent		1990201023.3low002400
cadaverine
9
alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite		1982200131.9low035100
carbamates
7
amino-acid anion1976200037.6low043000
carbon monoxide
1
carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent		1987198737.0low010000
carnitine
1
amino-acid betainehuman metabolite;
mouse metabolite		2002200222.0low000100
methane
1
alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas		201520159.0low000010
choline
12
cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite		1973199541.6low0102000
citric acid, anhydrous
1
tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite		1988198836.0low010000
chlorine
23
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		1976201431.3low0615020
hydrochloric acid
1
chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite1982198242.0low010000
coumarin
1
coumarinsfluorescent dye;
human metabolite;
plant metabolite		2009200915.0low000100
gallic acid
17
trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite		1980199238.9low0152000
octanoic acid
1
medium-chain fatty acid;
straight-chain saturated fatty acid		antibacterial agent;
Escherichia coli metabolite;
human metabolite		1984198440.0low010000
phosphonoacetic acid
3
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		1979198740.7low030000
3,4-dihydroxyphenylacetic acid
1
catechols;
dihydroxyphenylacetic acid		human metabolite1992199232.0low001000
creatine
1
glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical		1989198935.0low010000
cytosine
2
aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1975197748.0low020000
lactic acid
15
2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite		1988201622.5low034440
diacetyl
8
alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite		1980200525.8low014300
dimethyl sulfoxide
120
sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger		1972201243.4low010310520
ethanolamine
1
ethanolamines;
primary alcohol;
primary amine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		1991199133.0low001000
formaldehyde
6
aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1975199541.5low051000
glycine
6
alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical		1974199740.0low042000
glyceraldehyde
4
aldotriosefundamental metabolite1976198445.5low040000
glycerol
8
alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent		1974200936.8low051200
hydrogen carbonate
5
carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1976201436.0low031010
histamine
20
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		1973201440.1low0163010
hydrogen
2
elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite		1986198837.0low020000
hydroquinone
3
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		1992200029.0low003000
imidazole
1
imidazole1995199529.0low001000
iodine
4
diatomic iodinenutrient1972198647.2low040000
pyruvaldehyde
1
2-oxo aldehyde;
propanals		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
methanol
1
alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite		2008200816.0low000100
phytic acid
1
inositol phosphate2005200519.0low000100
inositol
13
cyclitol;
hexol		1975201631.8low038110
melatonin
5
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		1975201521.0low011030
naphthalene
1
naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component		2006200618.0low000100
nickel
5
metal allergen;
nickel group element atom		epitope;
micronutrient		1981200831.2low022100
niacinamide
5
pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor		1992200925.8low003200
niacin
1
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2002200222.0low000100
nitrates
2
monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		1997199826.5low002000
nitrites
2
monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite1996200324.5low001100
nitrous oxide
3
gas molecular entity;
nitrogen oxide		analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent		1976197946.7low030000
4-aminobenzoic acid
1
aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite		1977197747.0low010000
4-nitrophenol
1
4-nitrophenolshuman xenobiotic metabolite;
mouse metabolite		201520159.0low000010
phenanthrene
1
ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite		2014201410.0low000010
phosphorylcholine
2
phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite		1993200027.5low002000
putrescine
1
alkane-alpha,omega-diamineantioxidant;
fundamental metabolite		1981198143.0low010000
pyruvic acid
1
2-oxo monocarboxylic acidcofactor;
fundamental metabolite		1997199727.0low001000
sarcosine
2
N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines		Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite		1988198836.0low020000
spermidine
2
polyazaalkane;
triamine		autophagy inducer;
fundamental metabolite;
geroprotector		1980198143.5low020000
spermine
6
polyazaalkane;
tetramine		antioxidant;
fundamental metabolite;
immunosuppressive agent		1974198145.5low060000
taurine
8
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		1976201234.4low034010
toluene
1
methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent		1977197747.0low010000
uracil
1
pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		1975197549.0low010000
uric acid
12
uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite		1973199939.6low075000
urea
9
isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1974201337.1low053010
gallopamil
4
benzenes;
organic amino compound		1985198638.5low040000
1,2-dimethylhydrazine
1
hydrazinesalkylating agent;
carcinogenic agent		1984198440.0low010000
1,2-dioctanoylglycerol
2
1988199234.0low011000
1-anilino-8-naphthalenesulfonate
3
aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe1975198943.3low030000
1-methylimidazole
1
imidazoles1984198440.0low010000
edelfosine
1
glycerophosphocholine1987198737.0low010000
2,2'-dipyridyl
2
bipyridinechelator;
ferroptosis inhibitor		1985201026.5low010100
2,4-dinitrophenol
19
dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor		1981200835.2low0135100
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine
1
imidazopyridine;
primary amino compound		carcinogenic agent;
mutagen		2002200222.0low000100
mercaptoethanol
7
alkanethiol;
primary alcohol		geroprotector1974200240.6low051100
2-aminoethoxydiphenyl borate
1
organoboron compound;
primary amino compound		calcium channel blocker;
IP3 receptor antagonist;
potassium channel opener		2006200618.0low000100
n-methyl-3,4-methylenedioxyamphetamine
1
amphetamines;
benzodioxoles		neurotoxin2008200816.0low000100
3-aminobenzamide
1
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor1995199529.0low001000
3-methylcholanthrene
4
ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent		1974199045.5low031000
p-chloromercuribenzoic acid
3
chlorine molecular entity;
mercuribenzoic acid		1984200034.3low021000
phenytoin
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		1976197648.0low010000
5,8,11,14-eicosatetraynoic acid
8
long-chain fatty acid1979199640.5low071000
ethylisopropylamiloride
3
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		2001201416.3low000210
8-phenyltheophylline
2
1985199335.0low011000
oxyquinoline
2
monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator		2004201017.0low000200
aa 861
1
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		1991199133.0low001000
aceclidine
1
quinuclidines1996199628.0low001000
acetaminophen
1
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		1990199034.0low001000
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		1983198341.0low010000
alachlor
1
aromatic amide;
monocarboxylic acid amide;
organochlorine compound		environmental contaminant;
herbicide;
xenobiotic		1999199925.0low001000
albendazole
1
aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator		1989198935.0low010000
albuterol
3
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		1994201023.7low002100
alpha-cyano-4-hydroxycinnamate
3
1995200923.7low002100
alprenolol
1
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		1990199034.0low001000
aluminum fluoride
1
aluminium coordination entity1998199826.0low001000
amantadine
6
adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic		1974199138.8low042000
amfenac
1
amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		1982198242.0low010000
diatrizoic acid
1
acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic		2000200024.0low001000
amifostine anhydrous
1
diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent		201520159.0low000010
aminoglutethimide
7
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		1977200739.4low051100
pimagedine
1
guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor		1995199529.0low001000
theophylline
63
dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent		1972200845.0low0556200
amiodarone
1
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug1982198242.0low010000
amobarbital
1
barbiturates1983198341.0low010000
amsacrine
1
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2004200420.0low000100
anthralin
1
anthracenesantipsoriatic1978197846.0low010000
arecoline
1
enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist		2007200717.0low000100
aristolochic acid i
1
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		2003200321.0low000100
aspirin
9
benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent		1979200434.2low052200
atenolol
1
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		1998199826.0low001000
azelastine
1
monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor		1990199034.0low001000
bay-k-8644
1
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		1988198836.0low010000
benzo(a)pyrene
7
ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite		1984201421.9low012310
bisindolylmaleimide i
2
2000200223.0low001100
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		1992199232.0low001000
caffeine
18
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		1974201735.3low0112230
verapamil
24
aromatic ether;
nitrile;
polyether;
tertiary amino compound		1976200236.5low01211100
calmidazolium
2
imidazolium ionapoptosis inducer;
calmodulin antagonist		1996200623.0low001100
carbonyl cyanide m-chlorophenyl hydrazone
10
hydrazone;
monochlorobenzenes;
nitrile		antibacterial agent;
geroprotector;
ionophore		1981200733.0low045100
cgp 12177
1
aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist1990199034.0low001000
chelerythrine
2
benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		1993200624.5low001100
chloral hydrate
2
aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic		1992199331.5low002000
chlorambucil
1
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		1996199628.0low001000
chloroquine
47
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		1973200836.1low02915300
chlorpromazine
23
organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug		1972202137.7low0182201
chlorpropham
1
benzenes;
carbamate ester;
monochlorobenzenes		herbicide;
plant growth retardant		2003200321.0low000100
cimetidine
1
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		1994199430.0low001000
ciprofloxacin
2
aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic		1991199929.0low002000
clofibrate
2
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		2006200618.0low000200
cycloleucine
1
non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor1977197747.0low010000
cytochalasin c
6
1981201529.3high040020
dantrolene
4
hydrazone;
imidazolidine-2,4-dione		muscle relaxant;
neuroprotective agent;
ryanodine receptor antagonist		1983199732.0low013000
dapi
2
indolesfluorochrome1999200820.5low001100
deferiprone
1
4-pyridonesiron chelator;
protective agent		2011201113.0low000010
deferoxamine
6
acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore		1991201122.7low003210
desipramine
1
dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor		1974197450.0low010000
amphetamine
1
primary amine2008200816.0low000100
eflornithine
1
alpha-amino acid;
fluoroamino acid		trypanocidal drug1995199529.0low001000
r 59022
4
diarylmethane1987199433.0low013000
diazepam
4
1,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic		1983201031.0low021100
diazoxide
3
benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent		1984200824.3low010200
dibucaine
5
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic1975198245.0low050000
dichlobanil
1
dichlorobenzene;
nitrile		agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic		2009200915.0low000100
diethylcarbamazine
2
N-carbamoylpiperazine;
N-methylpiperazine		1973198545.0low020000
pentetic acid
4
pentacarboxylic acidcopper chelator1973199139.2low022000
dihydrocytochalasin b
79
1978202030.2high031321060
diphenyleneiodonium
1
organic cation2007200717.0low000100
dipyridamole
15
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		1973199144.4low0141000
n(6),n(6)-dimethyladenine
12
tertiary amine2002201816.8low0001020
econazole
2
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes		1993199629.5low002000
9-(2-hydroxy-3-nonyl)adenine
3
1983200330.0low011100
erythrosine
21
1973201335.4low0136110
ethacrynic acid
4
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		1975200131.0low012100
ether
1
ether;
volatile organic compound		inhalation anaesthetic;
non-polar solvent;
refrigerant		1974197450.0low010000
etidronate
1
1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator		2005200519.0low000100
carbonyl cyanide p-trifluoromethoxyphenylhydrazone
9
aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore		1990201222.7low004320
fluphenazine
1
N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug		1974197450.0low010000
fluorouracil
11
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		1974201030.5low051500
furosemide
5
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		1984199833.4low023000
gentamicin
6
1981201627.2low013110
gliclazide
1
N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger		1975197549.0low010000
glutaral
19
dialdehydecross-linking reagent;
disinfectant;
fixative		1975200239.2low0134200
glyburide
6
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		1985200830.5low031200
gossypol
2
1996200921.5low001100
guaifenesin
3
methoxybenzenes1981198342.0low030000
1-(5-isoquinolinesulfonyl)-2-methylpiperazine
17
isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor1987200031.6low0512000
ha 1004
2
isoquinolines1988199731.5low011000
fasudil
1
isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent		1990199034.0low001000
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		1983198341.0low010000
halothane
1
haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic1978197846.0low010000
harmaline
1
harmala alkaloidoneirogen1981198143.0low010000
miltefosine
2
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		1993200027.5low002000
ethidium
4
phenanthridinesfluorochrome;
intercalator		1974201139.2low030010
hydroxyurea
15
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		1973201137.0low093210
ibuprofen
4
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		1984199238.0low031000
lidocaine
10
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		1973201240.5low090010
imipramine
2
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		1983198440.5low020000
indomethacin
31
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic		1973200638.4low0227200
iodoacetamide
8
1980200037.5low062000
1-methyl-3-isobutylxanthine
11
3-isobutyl-1-methylxanthine1982200732.8low046100
2-propanol
5
secondary alcohol;
secondary fatty alcohol		protic solvent1977199539.2low032000
isoproterenol
43
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		1973200239.2low03111100
staurosporine aglycone
3
1991199830.3low003000
ketamine
1
cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic		1985198539.0low010000
kinetin
3
6-aminopurines;
furans		cytokinin;
geroprotector		1983200329.3low011100
loratadine
1
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		2010201014.0low000100
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
7
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		1999201221.1low001510
6-anilino-5,8-quinolinedione
1
aminoquinoline;
aromatic amine;
p-quinones;
quinolone		antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor		2005200519.0low000100
mazindol
1
organic molecular entity1994199430.0low001000
mebendazole
3
aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator		1987200131.7low020100
metformin
2
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		1987199234.5low011000
nocodazole
119
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		1981201226.6low019583660
methyl methanesulfonate
5
methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen		1987200626.6low012200
metronidazole
3
C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic		1982199533.7low012000
miconazole
2
dichlorobenzene;
ether;
imidazoles		1990199631.0low002000
minoxidil
1
dialkylarylamine;
tertiary amino compound		2001200123.0low000100
ml 7
3
N-sulfonyldiazepane;
organoiodine compound		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor2001200520.7low000300
molsidomine
2
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		1996199727.5low002000
monodansylcadaverine
9
aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent		1982200131.9low035100
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
1
naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide		2004200420.0low000100
ethylmaleimide
45
maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor		1973201940.2low0367110
n-formylmethionylphenylalanine
3
peptide1980198442.3low030000
nafamostat
1
benzoic acids;
guanidines		1986198638.0low010000
activins
1
1999199925.0low001000
nicardipine
1
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound		1989198935.0low010000
nifedipine
3
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		1991200725.3low002100
niflumic acid
1
aromatic carboxylic acid;
pyridines		1997199727.0low001000
nimesulide
1
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		1995199529.0low001000
nisoldipine
2
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester		1996199827.0low002000
nitrendipine
1
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		1987198737.0low010000
olomoucine
1
2,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor2003200321.0low000100
oxazepam
1
1,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic		2002200222.0low000100
oxotremorine
1
N-alkylpyrrolidine1985198539.0low010000
oxymetazoline
1
carboxamidine;
imidazolines;
phenols		alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		1996199628.0low001000
quinone
2
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite		1999200920.0low001100
papaverine
11
benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent		1974199043.8low0101000
pd 98059
3
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2000200223.0low001200
pentamidine
1
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		1996199628.0low001000
pentobarbital
1
barbituratesGABAA receptor agonist1981198143.0low010000
pentoxifylline
1
oxopurine1998199826.0low001000
perphenazine
1
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		1973197351.0low010000
phenolphthalein
1
phenols2010201014.0low000100
phenolsulfonphthalein
1
2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator		1995199529.0low001000
phenoxybenzamine
1
aromatic amine1974197450.0low010000
oxophenylarsine
7
arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor		1985201425.6low022210
phenylbutazone
5
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		1973198744.0low050000
phenylmethylsulfonyl fluoride
6
acyl fluorideserine proteinase inhibitor1985200727.0low013200
phloretin
117
dihydrochalconesantineoplastic agent;
plant metabolite		1973202133.4medium063351171
potassium chloride
18
inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer1974200937.8low0125100
potassium iodide
3
potassium saltexpectorant;
radical scavenger		1974199443.0low021000
praziquantel
1
isoquinolines1983198341.0low010000
primaquine
1
aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial1978197846.0low010000
probenecid
5
benzoic acids;
sulfonamide		uricosuric drug1984201229.6low013010
procaine
8
benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug		1975198842.6low080000
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		1991199133.0low001000
propidium
3
phenanthridines;
quaternary ammonium ion		fluorochrome;
intercalator		1997200922.7low002100
propranolol
16
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		1974199836.1low088000
propyl gallate
1
trihydroxybenzoic acid201520159.0low000010
pyrimethamine
1
aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		1993199331.0low001000
resorcinol
1
benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser		201520159.0low000010
ro 31-8220
2
imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor1999200024.5low002000
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone
1
methoxybenzenes1983198341.0low010000
rolipram
2
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		1991201023.5low001100
safrole
1
benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite		2009200915.0low000100
sibutramine
1
organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor		2001200123.0low000100
linsidomine
2
morpholines1996199727.5low002000
sodium fluoride
15
fluoride saltmutagen1977200039.6low0132000
iodoacetic acid
8
haloacetic acid;
organoiodine compound		alkylating agent1981201233.5low052010
risedronic acid
1
pyridines2005200519.0low000100
sulfobromophthalein
1
2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye1990199034.0low001000
suramin
2
naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug		1999200323.0low001100
terbutaline
1
phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent		1995199529.0low001000
tetracaine
13
benzoate ester;
tertiary amino compound		local anaesthetic1973199142.7low0121000
tetraethylammonium
1
quaternary ammonium ion1991199133.0low001000
theobromine
1
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		1999199925.0low001000
thiabendazole
2
1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug		1993200624.5low001100
ticlopidine
2
monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		1985199434.5low011000
tiopronin
1
N-acyl-amino acid1988198836.0low010000
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
17
trihydroxybenzoic acid1980199238.9low0152000
tolbutamide
6
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		1973200142.2low041100
tranexamic acid
1
amino acid2003200321.0low000100
trifluoperazine
36
N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug		1980200537.8low0296100
troglitazone
1
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		2012201212.0low000010
tyramine
2
monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter		1973197848.5low020000
urethane
2
carbamate esterfungal metabolite;
mutagen		2006200618.0low000200
w 7
15
1980199934.4low087000
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine
1
1999199925.0low001000
mitomycin
26
mitomycinalkylating agent;
antineoplastic agent		1984201524.8low0510740
corticosterone
8
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		1975199341.2low071000
prednisolone
4
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic		1973197748.8low040000
estriol
1
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite		1980198044.0low010000
reserpine
1
alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic		1974197450.0low010000
sorbitol
4
glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent		1975199341.0low031000
alloxan
4
pyrimidonehyperglycemic agent;
metabolite		1975197947.0low040000
thymidine
51
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		1972200144.9low0463200
floxuridine
3
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		1975197947.0low030000
triethylenemelamine
2
1,3,5-triazinesalkylating agent;
insect sterilant		1989199034.5low011000
hydroxyproline
3
4-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite		1979198343.3low030000
thyroxine
8
2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone		1982200033.5low044000
carbachol
17
ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic		1974199940.1low0125000
spironolactone
1
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2008200816.0low000100
aldosterone
5
11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde		human metabolite;
mouse metabolite		1993200824.4low003200
penicillamine
1
non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen		1993199331.0low001000
dehydroepiandrosterone
2
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite		1990200128.5low001100
dichlororibofuranosylbenzimidazole
2
1995200225.5low001100
penicillin g
2
penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope		1981199635.5low011000
idoxuridine
6
organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor		1974198145.5low060000
pilocarpine
5
pilocarpineantiglaucoma drug1974199640.4low041000
triiodothyronine
14
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone		1976200036.1low077000
diethylnitrosamine
3
nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen		1975200139.0low020100
methyldimethylaminoazobenzene
1
1990199034.0low001000
isoflurophate
7
dialkyl phosphate1974198945.1low070000
carbon tetrachloride
2
chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant		1985200031.5low011000
cantharidin
1
cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide		1978197846.0low010000
alanine
3
alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite		1975199541.7low021000
serine
1
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1999199925.0low001000
4-nitroquinoline-1-oxide
1
C-nitro compound;
quinoline N-oxide		carcinogenic agent1975197549.0low010000
chloramphenicol
5
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		1977199837.2low032000
aspartic acid
3
aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter		1984199135.7low012000
glutamine
7
amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1975201531.3low031120
lysine
9
aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		1974198546.7low090000
cyanides
33
pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor1973199145.5low0303000
sucrose
22
glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent		1973201338.0low0135220
tubocurarine
1
bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist		1979197945.0low010000
9,10-dimethyl-1,2-benzanthracene
4
ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent1983198838.8low040000
aminopyrine
2
pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		1985198638.5low020000
puromycin aminonucleoside
3
3'-deoxyribonucleoside;
adenosines		1977198045.3low030000
adenosine diphosphate
33
adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite		1974200037.8low02211000
2,3,4,6-tetrachlorophenol
1
tetrachlorophenolxenobiotic metabolite201520159.0low000010
uridine
22
uridinesdrug metabolite;
fundamental metabolite;
human metabolite		1973199345.5low0211000
bromodeoxyuridine
19
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		1974201235.3low097210
galactose
24
D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite		1973201933.4low0910410
carbostyril
1
monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite1998199826.0low001000
phenylephrine
2
phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent		1974198743.5low020000
levodopa
2
amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug		1981199237.5low011000
edetic acid
65
ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector		1973200841.6low05012300
tyrosine
17
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical		1974201726.5low0211310
cysteamine
1
amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent		1991199133.0low001000
phlorhizin
78
aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite		1973201734.3low04223670
adenosine monophosphate
7
adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical		1976199636.9low052000
methylene blue
1
organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer		2006200618.0low000100
leucine
42
amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1972200244.2low0356100
ethyl methanesulfonate
3
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent		1975199436.7low012000
2-aminoisobutyric acid
1
2,2-dialkylglycine zwitterion;
2,2-dialkylglycine		1985198539.0low010000
androstenedione
4
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		1980199038.5low031000
lactose
6
lactose1975199240.7low042000
methionine
21
aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical		1974200142.5low0191100
1,2-dipalmitoylphosphatidylcholine
1
1987198737.0low010000
phenylalanine
16
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		1975200135.4low077200
colchicine
884
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		1972201940.0medium06751643960
cytidine triphosphate
1
cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite		1980198044.0low010000
strophanthidin
1
14beta-hydroxy steroid;
19-oxo steroid;
3beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolides;
steroid aldehyde		1988198836.0low010000
cycloheximide
192
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		1973202037.6low0125451930
egtazic acid
74
diether;
tertiary amino compound;
tetracarboxylic acid		chelator1975200436.0low03833300
chloroform
1
chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant		2000200024.0low001000
dimethylformamide
2
formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent		1975198643.5low020000
tubercidin
2
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite		1987199533.0low011000
mannitol
25
mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent		1975200829.4low0511900
cytarabine
24
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		1975201534.5low0142710
dithionitrobenzoic acid
4
nitrobenzoic acid;
organic disulfide		indicator1976198940.8low040000
trifluridine
1
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		1980198044.0low010000
ornithine
1
non-proteinogenic L-alpha-amino acid;
ornithine		algal metabolite;
hepatoprotective agent;
mouse metabolite		1999199925.0low001000
dinitrofluorobenzene
6
C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent		1976198445.2low060000
asparagine
3
amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		1977199735.7low012000
valine
1
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1976197648.0low010000
threonine
3
amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		1996199926.3low003000
tryptophan
7
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		1991200329.6low006100
isoleucine
4
aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1974199439.8low022000
n,n'-diphenyl-4-phenylenediamine
1
N-substituted diamine;
secondary amino compound		antioxidant1995199529.0low001000
arginine
13
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		1974200038.8low085000
ethylene
1
alkene;
gas molecular entity		plant hormone;
refrigerant		2009200915.0low000100
acetylene
1
alkyne;
gas molecular entity;
terminal acetylenic compound		1974197450.0low010000
methylamine
5
methylamines;
one-carbon compound;
primary aliphatic amine		mouse metabolite1987200830.8low013100
boranes
1
boranes;
mononuclear parent hydride		2001200123.0low000100
vinyl chloride
1
chloroethenes;
gas molecular entity;
monohaloethene		carcinogenic agent1992199232.0low001000
tert-butylhydroperoxide
1
alkyl hydroperoxideantibacterial agent;
oxidising agent		1990199034.0low001000
triamcinolone acetonide
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		1985198539.0low010000
gibberellic acid
1
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite		1998199826.0low001000
tromethamine
1
primary amino compound;
triol		buffer1977197747.0low010000
acrylamide
3
acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin		1990200027.3low003000
taurocholic acid
4
amino sulfonic acid;
bile acid taurine conjugate		human metabolite1981199532.8low013000
methylprednisolone
4
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		1974198444.8low040000
rotenone
7
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		1974201430.3low031120
skimmianine
1
alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2008200816.0low000100
phthalic anhydride
1
2-benzofurans;
cyclic dicarboxylic anhydride		allergen201520159.0low000010
n-nitrosodiphenylamine
1
phenylhydrazines2001200123.0low000100
phthalide
1
2-benzofurans;
gamma-lactone		2008200816.0low000100
n-vinyl-2-pyrrolidinone
7
pyrrolidin-2-ones1978200237.0low051100
thymol
1
monoterpenoid;
phenols		volatile oil component1980198044.0low010000
1-naphthylphenylamine
1
naphthalenes1981198143.0low010000
aminacrine
3
aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen		1983199137.7low021000
quinoxalines
2
mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene		1996200225.0low001100
2-naphthylamine
1
naphthylaminecarcinogenic agent1993199331.0low001000
xanthenes
3
xanthene1986201525.7low011010
propylparaben
1
benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent		1976197648.0low010000
phosphoribosyl pyrophosphate
3
5-O-phosphono-D-ribofuranosyl diphosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite		1978199537.0low021000
sym-trinitrobenzene
2
trinitrobenzeneexplosive1989199532.0low011000
4-bromophenacyl bromide
2
1988199333.5low011000
styrene
1
styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite		1992199232.0low001000
quinuclidines
1
quinuclidines;
saturated organic heterobicyclic parent		1996199628.0low001000
chlorphenesin
1
glycol;
monochlorobenzenes;
propane-1,2-diols		antibacterial drug;
antifungal drug;
muscle relaxant		1974197450.0low010000
acrolein
1
enalherbicide;
human xenobiotic metabolite;
toxin		2012201212.0low000010
maleic anhydride
1
cyclic dicarboxylic anhydride;
furans		allergen1978197846.0low010000
pyrroles
2
pyrrole;
secondary amine		1999201815.5low001010
thiophenes
2
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent1985199932.0low011000
morpholine
1
morpholines;
saturated organic heteromonocyclic parent		NMR chemical shift reference compound201820186.0low000010
3,3'-iminodipropionitrile
3
1984199433.3low012000
phenformin
1
biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent		1987198737.0low010000
framycetin
1
aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite		1998199826.0low001000
dianisidine
1
biphenyls1990199034.0low001000
2,4-dichlorophenol
1
dichlorophenol201520159.0low000010
alpha-naphthylphthalamic acid
2
carboxylic acid;
dicarboxylic acid monoamide;
N-(1-naphthyl)carboxamide		herbicide1994199728.5low002000
1-naphthylamine
1
naphthylaminehuman xenobiotic metabolite1981198143.0low010000
2-naphthol
1
naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger		1999199925.0low001000
ethyl acrylate
1
enoate ester201520159.0low000010
sodium cyanide
6
cyanide salt;
one-carbon compound;
sodium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor1980199237.7low051000
monomethylarsonic acid
1
arsonic acids;
one-carbon compound;
organoarsonic acid		2006200618.0low000100
pregnenolone
11
20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid		human metabolite;
mouse metabolite		1976199341.1low092000
20-alpha-dihydroprogesterone
4
20-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite		1977198444.0low040000
yohimbine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist		1996199628.0low001000
3-o-methylglucose
115
D-aldohexose derivative1981201633.5low06639730
2-chloroadenosine
5
purine nucleoside1983199236.4low041000
potassium cyanide
14
cyanide salt;
one-carbon compound;
potassium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin		1978200337.1low0112100
methylene dimethanesulfonate
1
1987198737.0low010000
diazooxonorleucine
3
amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid		analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist		1975199541.7low021000
quinazolines
2
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines		201220189.0low000020
acridines
3
acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin1973200034.0low012000
cyclopentane
8
cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent1995199827.9low008000
oxazoles
12
1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		1974201325.6low024510
thiazoles
27
1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		1987201225.4low03111210
pyrazines
1
diazine;
pyrazines		Daphnia magna metabolite1992199232.0low001000
nitroblue tetrazolium
9
organic cation1976199339.0low072000
hydrazine
2
azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor1975198942.0low020000
difluorodinitrobenzene sulfone
1
1984198440.0medium010000
aminophylline
1
mixturebronchodilator agent;
cardiotonic drug		1978197846.0low010000
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent1994199430.0low001000
citrulline
1
amino acid zwitterion;
citrulline		Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite		1996199628.0low001000
prenylamine
1
diarylmethane1985198539.0low010000
perflubron
1
haloalkane;
organobromine compound;
perfluorinated compound		blood substitute;
radioopaque medium		1994199430.0low001000
cyproterone acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin		1997199727.0low001000
lithocholic acid
1
bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite		1993199331.0low001000
2-aminopurine
1
2-aminopurines;
nucleobase analogue		antimetabolite1996199628.0low001000
4-toluenesulfonyl fluoride
1
1993199331.0low001000
limestone
1
calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound		antacid;
fertilizer;
food colouring;
food firming agent		1978197846.0low010000
glycocholic acid
1
bile acid glycine conjugatehuman metabolite1995199529.0low001000
naphthazarin
1
hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite		1995199529.0low001000
fusarium
1
2014201410.0low000010
rhein
1
dihydroxyanthraquinone1993199331.0low001000
emetine
7
isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor		1974199444.0low061000
ninhydrin
1
aromatic ketone;
beta-diketone;
indanones;
ketone hydrate		colour indicator;
human metabolite		1979197945.0low010000
sodium carbonate
1
carbonate salt;
organic sodium salt		1994199430.0low001000
alpha-aminopyridine
1
201720177.0low000010
thiazolidines
36
thiazolidine1988201818.2low01717110
cyanogen bromide
1
1988198836.0low010000
echothiophate iodide
1
iodide salt;
quaternary ammonium salt		antiglaucoma drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic		1984198440.0low010000
podophyllotoxin
14
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		1973199643.4low0131000
luminol
14
1978200036.3low086000
uridine diphosphate n-acetylglucosamine
1
1977197747.0low010000
tropolone
1
alpha-hydroxy ketone;
cyclic ketone;
enol		bacterial metabolite;
fungicide;
toxin		1989198935.0low010000
tricaprylin
1
octanoate ester;
triglyceride		anticonvulsant;
plant metabolite		1988198836.0low010000
dicyclohexylcarbodiimide
2
carbodiimideATP synthase inhibitor;
cross-linking reagent;
peptide coupling reagent		1989199134.0low011000
maleimide
1
dicarboximide;
maleimides		EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor1988198836.0low010000
malondialdehyde
1
dialdehydebiomarker2011201113.0low000010
trinitrobenzenesulfonic acid
1
arenesulfonic acid;
C-nitro compound		epitope;
explosive;
reagent		1988198836.0low010000
eosine yellowish-(ys)
1
organic sodium salt;
organobromine compound		fluorochrome;
histological dye		2001200123.0low000100
lucanthone hydrochloride
1
1983198341.0low010000
gentian violet
1
organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye		2003200321.0low000100
resazurin
1
phenoxazine201520159.0low000010
neutral red
1
hydrochlorideacid-base indicator;
dye;
two-colour indicator		1985198539.0low010000
linamarin
1
beta-D-glucoside2003200321.0low000100
4-chloromercuribenzenesulfonate
8
arenesulfonic acid;
arylmercury compound		1975199837.5low044000
tripalmitin
1
triglyceride1988198836.0low010000
glycylglycine
1
dipeptide zwitterion;
dipeptide		human metabolite1976197648.0low010000
glycerylphosphorylcholine
1
glycerophosphocholine1981198143.0low010000
diepoxybutane
1
epoxidemutagen1998199826.0low001000
2,6-diethylaniline
1
1999199925.0low001000
2-anthramine
2
anthracenamine2010201014.0low000200
acetylcysteine
5
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		1997201419.0low002120
c.i. 42510
1
1995199529.0low001000
benzydamine
1
aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug		1985198539.0low010000
mannoheptulose
6
D-manno-heptulose1976200128.8low012300
nitrosoguanidines
1
1977197747.0low010000
dibutyldichlorotin
1
1995199529.0low001000
methylnitrosourea
2
N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent		1983198838.5low020000
diphenyliodonium
3
1993200923.3low002100
1,2-cyclohexanedione
1
cyclohexanedione1998199826.0low001000
2-hydroxy-5-nitrobenzyl bromide
1
1976197648.0low010000
benzoylarginine nitroanilide
1
2002200222.0low000100
n-nitrosopyrrolidine
1
pyrrolidines2001200123.0low000100
2-cyclohexen-1-one
1
cyclohexenone1986198638.0low010000
deoxyuridine
2
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1974197549.5low020000
testolactone
1
3-oxo-Delta(1),Delta(4)-steroid;
seco-androstane		1975197549.0low010000
zinc oxide
1
zinc molecular entity2014201410.0low000010
arsenic trioxide
1
2006200618.0low000100
vancomycin
1
glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite		1981198143.0low010000
nsc 65346
1
nucleoside analogueprotein kinase inhibitor2002200222.0low000100
d-alpha tocopherol
4
alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite		1980201427.2low012010
stearylamine
1
primary aliphatic aminefilm-forming compound1984198440.0low010000
paraquat
1
organic cationgeroprotector;
herbicide		2006200618.0low000100
2-tert-butylhydroquinone
2
hydroquinonesfood antioxidant1998200224.0low001100
dronabinol
2
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic		1982200829.0low010100
methionine sulfoximine
1
methionine derivative;
non-proteinogenic alpha-amino acid;
sulfoximide		1994199430.0low001000
amiloride
13
aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker		1985201427.4low053320
pimozide
1
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		1986198638.0low010000
fluorescein
3
2-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye		fluorescent dye;
radioopaque medium		1987199631.0low012000
2,4,2',4'-tetrachlorobiphenyl
1
dichlorobenzene;
tetrachlorobiphenyl		1995199529.0low001000
fucose
10
fucopyranose;
L-fucose		Escherichia coli metabolite;
mouse metabolite		1974199441.4low064000
sulfur hexafluoride
1
sulfur coordination entitygreenhouse gas;
NMR chemical shift reference compound;
ultrasound contrast agent		2004200420.0low000100
tetramethylthiourea
1
thioureas2000200024.0low001000
fluorescein-5-isothiocyanate
24
fluorescein isothiocyanate1982201427.0low0610620
2,3-diketogulonic acid
1
2003200321.0low000100
mannose
18
D-aldohexose;
D-mannose;
mannopyranose		metabolite1977201428.1low056610
dithiothreitol
21
1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent		1973199741.8low0174000
ecdysone
3
14alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid		prohormone1973197649.3low030000
streptomycin
2
antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor		1975199638.5low011000
carbonates
1
carbon oxoanion1994199430.0low001000
dideoxyadenosine
1
adenosines;
purine 2',3'-dideoxyribonucleoside		EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor		1992199232.0low001000
buthionine sulfoximine
2
diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		1994200325.5low001100
vidarabine
1
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic		1980198044.0low010000
dimethindene
1
indene2010201014.0low000100
enbucrilate
2
alpha,beta-unsaturated monocarboxylic acid;
nitrile		2000201118.5low001010
3-deazaadenosine
2
1987199533.0low011000
lanthanum
10
f-block element atom;
lanthanoid atom;
scandium group element atom		1973200841.3low081100
manganese
12
elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient		1973200838.3low083100
mercury
13
elemental mercury;
zinc group element atom		neurotoxin1974199741.2low094000
osmium
1
iron group element atom;
platinum group metal atom		1976197648.0low010000
ruthenium
2
iron group element atom;
platinum group metal atom		1973197450.5low020000
silver
2
copper group element atom;
elemental silver		Escherichia coli metabolite1991201421.5low001010
tantalum
1
vanadium group element atom1980198044.0low010000
technetium
2
manganese group element atom1981201426.5low010010
titanium
4
titanium group element atom1996202119.0low002101
cadmium
9
cadmium molecular entity;
zinc group element atom		1986201228.3low025110
cerium
1
f-block element atom;
lanthanoid atom		1982198242.0low010000
gadolinium
7
f-block element atom;
lanthanoid atom		1985200724.3low012400
gold
18
copper group element atom;
elemental gold		1974201834.7low097020
uranium
2
actinoid atom;
f-block element atom;
monoatomic uranium		2004201514.5low000110
vanadium
3
elemental vanadium;
vanadium group element atom		micronutrient1984198440.0low030000
aluminum chloride
2
aluminium coordination entityLewis acid1988199134.5low011000
magnesium sulfate
3
magnesium salt;
metal sulfate;
organic magnesium salt		anaesthetic;
analgesic;
anti-arrhythmia drug;
anticonvulsant;
calcium channel blocker;
cardiovascular drug;
fertilizer;
tocolytic agent		1981200035.3low021000
mercuric chloride
8
mercury coordination entitysensitiser1982199932.5low044000
acetylglucosamine
7
N-acetyl-D-glucosamineepitope1976201434.7low042010
galactosamine
2
D-galactosamine;
primary amino compound		toxin1977198941.0low020000
cesium chloride
2
inorganic caesium salt;
inorganic chloride		phase-transfer catalyst;
vasoconstrictor agent		1999201417.5low001010
hypochlorous acid
3
chlorine oxoacid;
reactive oxygen species		EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite		1989201224.3low011010
camptothecin
2
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		1992199928.5low002000
ferric chloride
1
iron coordination entityastringent;
Lewis acid		1991199133.0low001000
sodium pyrophosphate
1
inorganic sodium saltchelator;
food emulsifier;
food thickening agent		2000200024.0low001000
phosphine
1
mononuclear parent hydride;
phosphanes;
phosphine		carcinogenic agent;
fumigant insecticide		1994199430.0low001000
barium sulfate
1
barium salt;
inorganic barium salt;
metal sulfate		radioopaque medium1996199628.0low001000
calcium phosphate, dibasic, anhydrous
1
calcium phosphate1986198638.0low010000
calcium phosphate, monobasic, anhydrous
1
calcium phosphatefertilizer1986198638.0low010000
tricalcium phosphate
1
calcium phosphate1986198638.0low010000
silver nitrate
1
inorganic nitrate salt;
silver salt		astringent1990199034.0low001000
deuterium
30
dihydrogen1973198845.7low0300000
fluorine
2
diatomic fluorine;
gas molecular entity		NMR chemical shift reference compound1973199739.0low011000
chlorine
2
diatomic chlorine;
gas molecular entity		bleaching agent1974197450.0low020000
deuterium oxide
3
deuterated compound;
water		NMR solvent1978198243.3low030000
calcium pyrophosphate
3
calcium phosphate1977199337.0low012000
galactose
57
1973200838.3low03715500
poloxalene
2
epoxide1979199238.5low011000
hexadimethrine bromide
1
1981198143.0low010000
ozone
2
elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer		1988199433.0low011000
thallium sulfate
1
metal sulfate;
thallium molecular entity		insecticide;
rodenticide		1999199925.0low001000
aluminum sulfate
2
aluminium sulfate1991199929.0low002000
radon
2
monoatomic radon;
noble gas atom;
p-block element atom		2004201514.5low000110
cadmium chloride
5
cadmium coordination entity1993201021.2low002300
4-chloro-7-nitrobenzofurazan
8
benzoxadiazole;
C-nitro compound;
organochlorine compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome		1985202117.0low011321
trolamine salicylate
1
1987198737.0low010000
rhamnose
1
L-rhamnose1993199331.0low001000
carbendazim
3
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent		1995200027.0low003000
coformycin
2
coformycinsEC 3.5.4.4 (adenosine deaminase) inhibitor1983198639.5low020000
chrysotile
1
1989198935.0low010000
ammonium chloride
20
ammonium salt;
inorganic chloride		ferroptosis inhibitor1975201434.8low0126110
titanium dioxide
1
titanium oxidesfood colouring202120213.0low000001
tiletamine hydrochloride
2
1986199832.0low011000
levamisole
1
6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator		1979197945.0low010000
cycasin
1
1998199826.0low001000
cromolyn sodium
3
organic sodium saltanti-asthmatic drug;
drug allergen		1973198047.7low030000
tetradecanoylphorbol acetate
212
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator		1975201733.5low097981430
fluorides
20
halide anion;
monoatomic fluorine		1973201140.1low0154010
benomyl
1
aromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator		1993199331.0low001000
oryzalin
13
aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound		agrochemical;
antimitotic;
herbicide		1992201521.6low005710
iodine
5
halide anion;
monoatomic iodine		human metabolite1975198843.2low050000
daunorubicin
6
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite		1986199733.7low033000
razoxane
1
N-alkylpiperazine1993199331.0low001000
phosphotyrosine
14
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine		Escherichia coli metabolite;
immunogen		1994200425.9low0012200
bromocriptine
1
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		1985198539.0low010000
phenyl acetate
8
benzenes;
phenyl acetates		1973201044.6low070100
ursodeoxycholic acid
1
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		1994199430.0low001000
8-bromo cyclic adenosine monophosphate
8
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound		antidepressant;
protein kinase agonist		1980200134.5low043100
transferrin
4
1974201229.0low020110
alkenes
1
201620168.0low000010
calcium oxalate
2
organic calcium salt1987199334.0low011000
glutamic acid
6
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical		1990200226.5low004200
adenylyl imidodiphosphate
1
adenosine 5'-phosphate1992199232.0low001000
torpedo
2
1985198638.5low020000
sodium azide
33
inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen		1981201432.6low01514310
azides
110
pseudohalide anionmitochondrial respiratory-chain inhibitor1973200340.5low08028200
timolol
1
timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		1980198044.0low010000
nigericin
6
polycyclic etherantibacterial agent;
antimicrobial agent;
bacterial metabolite;
potassium ionophore		1980199735.3low042000
s-adenosylmethionine
1
sulfonium betainehuman metabolite2002200222.0low000100
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2014201410.0low000010
acetylgalactosamine
6
N-acetyl-D-hexosamine;
N-acetylgalactosamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		1979199634.7low033000
3,4,3',4'-tetrachlorobiphenyl
1
dichlorobenzene;
tetrachlorobiphenyl		1995199529.0low001000
paclitaxel
70
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		1981201529.0low020381020
etoposide
4
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		1997201018.8low001300
substance p
3
peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent		1991199731.0low003000
phorbol 12,13-dibutyrate
8
butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone		1985200329.6low032300
diltiazem
4
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent		1989199134.2low022000
ng-nitroarginine methyl ester
4
alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor1997200923.0low003100
deoxynivalenol
1
cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol		mycotoxin2014201410.0low000010
3,3',5,5'-tetramethylbenzidine
1
2005200519.0low000100
diaziquone
1
1,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent		1987198737.0low010000
enkephalin, methionine
1
1983198341.0low010000
nafazatrom
1
1984198440.0low010000
2-methoxy-5-(2',3',4'-trimethoxyphenyl)tropone
1
1989198935.0low010000
piperacillin
1
penicillin allergen;
penicillin		antibacterial drug1991199133.0low001000
bw-755c
2
1983198440.5low020000
colforsin
53
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		1985201330.4low01531520
triclabendazole
1
aromatic ether1995199529.0low001000
2-amino-3-methylimidazo(4,5-f)quinoline
1
imidazoquinolinecarcinogenic agent2002200222.0low000100
simvastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug		201520159.0low000010
mifepristone
3
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		1991200825.7low002100
clentiazem
1
1991199133.0low001000
fura-2
11
1987200831.0low055100
adenosine
33
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		1973201234.6low02010210
gadolinium chloride
2
gadolinium coordination entityTRP channel blocker1997200722.0low001100
vanadates
14
trivalent inorganic anion;
vanadium oxoanion		EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor		1984200130.4low049100
dimethylhydrazines
1
1984198440.0low010000
acridine orange
3
aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye		1990200029.7low003000
octyl glucoside
1
beta-D-glucosideplant metabolite1993199331.0low001000
trazodone hydrochloride
10
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		1975200630.1low033400
tromantadine
1
secondary carboxamide1988198836.0low010000
glucose, (beta-d)-isomer
100
D-glucopyranoseepitope;
mouse metabolite		1973200939.6low07620400
glucose, (beta-d)-isomer
98
D-glucopyranoseepitope;
mouse metabolite		1973200540.1low07620200
acid citrate dextrose
1
1988198836.0low010000
1,5-anhydroglucitol
3
anhydro sugarhuman metabolite1988199432.7low012000
thiazolyl blue
5
organic bromide saltcolorimetric reagent;
dye		1991201222.8low002210
diacetylfluorescein
2
1989199631.5low011000
epsilon-dinitrophenyllysine
1
N(6)-(2,4-dinitrophenyl)lysine1985198539.0low010000
25-hydroxycholesterol
3
25-hydroxy steroid;
oxysterol		human metabolite1984199137.0low021000
10,10'-dimethyl-9,9'-biacridinium
2
1997200025.5low002000
thomsen-friedenreich antigen
1
2000200024.0low001000
2',5'-dideoxyadenosine
1
deoxyribonucleoside1992199232.0low001000
metaperiodate
5
iodine oxoacid1973199641.2low041000
octadecyl rhodamine b chloride
1
1995199529.0low001000
peroxynitric acid
2
nitrogen oxoacid1997199826.5low002000
glutathione disulfide
2
glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite		1992199729.5low002000
4-nitrobenzylthioinosine
15
purine nucleoside1985199834.6low0105000
cephalosporin c
1
cephalosporinfungal metabolite1994199430.0low001000
web 2086
1
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		2013201311.0low000010
methacycline
3
1,2-diglyceride1989199432.3low012000
naphthalimides
1
2009200915.0low000100
bromosuccinimide
2
dicarboximide;
organobromine compound;
pyrrolidinone		reagent1987199035.5low011000
1,7-phenanthroline
2
phenanthroline1976200732.5low010100
triazoles
2
1,2,3-triazole2000201317.5low001010
1,5-difluoro-2,4-dinitrobenzene
1
1984198440.0low010000
delphinidin
2
anthocyanidin chloride1979197945.0low020000
fluorodeoxyglucose f18
3
2-deoxy-2-((18)F)fluoro-D-glucose;
2-deoxy-2-fluoro-aldehydo-D-glucose		1998201419.7low001110
nefiracetam
1
organonitrogen compound;
organooxygen compound		2003200321.0low000100
tyloxapol
2
1982198640.0low020000
masoprocol
7
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		1980200633.4low033100
trichlorosucrose
1
disaccharide derivative;
organochlorine compound		environmental contaminant;
sweetening agent;
xenobiotic		2012201212.0low000010
leupeptin
10
aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor		1984200733.9low072100
3-deazaaristeromycin
1
1987198737.0low010000
tetrandrine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		1993199331.0low001000
tosyllysine chloromethyl ketone
4
sulfonic acid derivative1977198244.2low040000
calpeptin
1
amino acid amide2003200321.0low000100
dehydroleucodine
1
2010201014.0low000100
isoxaben
1
benzamides;
isoxazoles		cellulose synthesis inhibitor;
herbicide		2013201311.0low000010
2-(methylamino)isobutyric acid
2
alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound		human urinary metabolite1987199234.5low011000
n,n'-4-phenylenedimaleimide
2
1980198044.0low020000
ethyl protocatechuate
1
catechols;
ethyl ester		antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite		2010201014.0low000100
ribose-5-phosphate
2
D-ribose 5-phosphate1999200124.0low001100
albendazole sulfoxide
1
sulfoxide1989198935.0low010000
we 201
1
1989198935.0low010000
5-thio-d-glucose
1
2014201410.0low000010
nicotine
4
3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic		1973200826.8low010300
fibrinogen
19
iditolfungal metabolite1973202034.1low088120
4-nitrophenyl beta-d-xyloside
2
C-nitro compound;
xyloside		chromogenic compound1981198541.0low020000
5'-adenylyl (beta,gamma-methylene)diphosphonate
1
nucleoside triphosphate analogue1986198638.0low010000
homocysteine
3
amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite		1995200126.3low002100
alpha,beta-methyleneadenosine 5'-triphosphate
1
nucleoside triphosphate analogue1986198638.0low010000
methylglucoside
11
1984201129.9low045110
8-((4-chlorophenyl)thio)cyclic-3',5'-amp
1
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
aryl sulfide;
organochlorine compound		protein kinase agonist1994199430.0low001000
methionyl-leucyl-phenylalanine
2
oligopeptide1989201522.0low010010
adenosine 5'-methylenediphosphate
1
nucleoside diphosphate analogue1996199628.0low001000
2-nitro-5-thiocyanobenzoic acid
3
1984199037.0low021000
1,3-dipropyl-8-(2-amino-4-chlorophenyl)xanthine
1
1999199925.0low001000
firefly luciferin
2
1,3-thiazolemonocarboxylic acid;
benzothiazoles;
imidothioate		luciferin1987200130.0low010100
ethylidene glucose
7
1982199534.4high034000
6-deoxyglucose
2
quinovose1986199732.5low011000
glucuronic acid
1
D-glucuronic acidalgal metabolite2006200618.0low000100
6-(4-nitrobenzylthio)guanosine
2
1986198837.0low020000
3,7-dimethyl-1-propargylxanthine
1
1999199925.0low001000
carbobenzoxyphenylalanylmethionine
4
1982198640.2high040000
amiprophos methyl
1
1999199925.0low001000
cobalt
1
cobalt group element atom;
metal allergen		micronutrient1975197549.0low010000
p-methoxy-n-methylphenethylamine
7
aromatic ether;
secondary amino compound		metabolite1974199042.1low061000
fulvestrant
1
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		2002200222.0low000100
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid
8
polyamino carboxylic acid;
tetracarboxylic acid		chelator1991200426.8low007100
u 73122
5
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor2001201816.6low000410
arginyl-glycyl-aspartic acid
6
oligopeptide1991200028.0low006000
wr 1065
2
alkanethiol;
diamine		antioxidant;
drug metabolite;
radiation protective agent		1991201421.5low001010
1,4-dihydropyridine
1
1996199628.0low001000
imipenem, anhydrous
1
beta-lactam antibiotic allergen;
carbapenems;
zwitterion		antibacterial drug1991199133.0low001000
quin2
5
1984199137.2low041000
diacetyldichlorofluorescein
1
2006200618.0low000100
fluo-3
1
xanthene dyefluorochrome1994199430.0low001000
paxilline
8
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		1994200325.5low007100
dihydrorhodamine 123
2
1992199729.5low002000
fura-2-am
2
1989199532.0low011000
quin2-acetoxymethyl ester
4
1985199534.8low022000
u 69593
1
monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound		anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist		2001200123.0low000100
cv 3988
1
1988198836.0low010000
prodan
1
2-acyl-6-dimethylaminonaphthalene1993199331.0low001000
cv 6209
1
1997199727.0low001000
inositol-1,3,4,5-tetrakisphosphate
1
inositol phosphate2002200222.0low000100
arginyl-glycyl-aspartyl-serine
1
1991199133.0low001000
nantradol
1
1982198242.0low010000
procyanidin
1
proanthocyanidin2011201113.0low000010
deguelin
1
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		2008200816.0low000100
1,9-dideoxyforskolin
2
acetate ester;
labdane diterpenoid;
organic heterotricyclic compound		plant metabolite1988199234.0low011000
ml 9
4
1989199930.0low013000
2-deoxyglucose-6-phosphate
1
deoxyaldohexose phosphateEscherichia coli metabolite;
Mycoplasma genitalium metabolite		2004200420.0low000100
1-hexadecyl-2-acetyl-glycero-3-phosphocholine
58
2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent		1981202032.8low02625430
deoxyglucose
245
1974202134.8low01357917131
beta-lumicolchicine
7
1980199538.4low052000
3',4'-dichlorobenzamil
1
guanidines;
pyrazines		1990199034.0low001000
valerates
1
short-chain fatty acid anion;
straight-chain saturated fatty acid anion		plant metabolite1975197549.0low010000
thromboxanes
2
1978199239.0low011000
dodecyl-beta-d-maltoside
1
disaccharide derivative;
glycoside		detergent2001200123.0low000100
tephrosin
1
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		2008200816.0low000100
protoberberine
1
202120213.0low000001
icrf 193
1
1996199628.0low001000
dihydro-dids
1
1992199232.0low001000
phenylalanyl-prolyl-arginine-chloromethyl ketone
1
2001200123.0low000100
bn 52063
1
1990199034.0low001000
glycyl-arginyl-glycyl-aspartyl-seryl-proline
4
1989199830.5low013000
caprylates
2
fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite		1984198838.0low020000
n-formylnorleucyl-leucyl-4-phenylalanine
3
1981200434.3low020100
rp 48740
1
1987198737.0low010000
a 63162
1
1993199331.0low001000
egta acetoxymethyl ester
2
1999200422.5low001100
2-n-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine
8
1994200127.8medium007100
phytosphingosine
1
amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite		1992199232.0low001000
hydroxysuccinimidyl-4-azidobenzoate
1
1983198341.0low010000
chaetoglobosins
1
1993199331.0low001000
peroxynitrous acid
1
nitrogen oxoacid2005200519.0low000100
glycyl-prolyl-arginyl-proline
2
1991201322.0low001010
glycyl-arginyl-glycyl-aspartyl-serine
1
1996199628.0low001000
cyclic adp-ribose
1
cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist		201720177.0low000010
f-chemotactic peptide
4
1984199435.0low022000
sodium-binding benzofuran isophthalate
1
1-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid		fluorochrome2008200816.0low000100
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
8
dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule		1976199841.2low062000
tyrosyl-isoleucyl-glycyl-seryl-arginine
1
1993199331.0low001000
e 64
1
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		1985198539.0low010000
desloratadine
1
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist		2010201014.0low000100
glycerophosphoinositol 4,5-bisphosphate
5
1992201822.0low003020
t-butyloxycarbonyl-methionyl-leucyl-phenylalanine
1
1985198539.0low010000
glutathione maleimide
2
1986198837.0high020000
methotrexate
9
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		1982201534.4low062010
perfluoro-n-methyldecahydroisoquinoline
1
organofluorine compoundblood substitute1992199232.0medium001000
n-(6-methoxyquinolyl)acetoethyl ester
1
1992199232.0low001000
s-(bismaleimidoethyl ether)cysteine
1
1990199034.0medium001000
fk 633
1
2013201311.0low000010
omega-n-methylarginine
1
amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		1996199628.0low001000
n-formyl-methionyl-leucyl-phenylalanyl-phenylalanine
1
2001200123.0medium000100
xylose
3
D-xylose1977197946.0low030000
proline
8
amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid		algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1972199541.2low053000
cucurbitaceae
1
1994199430.0low001000
s-2-(3-methylaminopropylamino)ethanethiol
1
1991199133.0medium001000
4-boronophenylalanine
3
1998200124.7low002100
cariporide
1
2008200816.0low000100
1-thioglucose
1
2014201410.0low000010
2-(2-(acetylamino)-4-(n-(2-cyanoethyl)ethylamino)-5-methoxyphenyl)-5-amino-7-bromo-4-chloro-2h-benzotriazole
1
2000200024.0low001000
phorbols
16
diterpene;
terpenoid fundamental parent		1975200241.2low0150100
xamoterol
1
morpholines1990199034.0low001000
naproxen
1
methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		1978197846.0low010000
hydroxyl radical
4
oxygen hydride;
oxygen radical;
reactive oxygen species		1986199933.5low022000
nps-568
1
2012201212.0low000010
2-phenyl-4-oxohydroquinoline
1
1998199826.0low001000
prostaglandins b
1
1980198044.0low010000
pz-peptide
1
1998199826.0medium001000
cerous chloride
1
cerium coordination entity1982198242.0low010000
6-deoxy-n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)aminoglucose
4
1985200924.2medium011200
3-iodo-4-azidophenethylamido-7-o-succinyldeacetylforskolin
3
1989199632.3high012000
calcium pyrophosphate
1
1986198638.0low010000
tetraphenylphosphonium
1
heteroorganic entity;
phosphorus molecular entity;
polyatomic cation		1985198539.0low010000
metaperiodate
2
iodine oxoanion;
monovalent inorganic anion		1989199631.5low011000
tetrahymanol
1
pentacyclic triterpenoid1985198539.0low010000
biotin
4
biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite		1991199830.0low004000
carbobenzyloxyleucyl-tyrosine chloromethyl ketone
1
1996199628.0medium001000
angiotensin ii
19
amino acid zwitterion;
angiotensin II		human metabolite1974200532.3low078400
n-formylmethionyl-methionyl-phenylalanine
1
1983198341.0medium010000
atropine
2
1974197450.0low020000
sb 203580
4
imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent		2002201018.5low000400
aflatoxin b1
1
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite		1988198836.0low010000
bis(diazo)benzidine
2
1986198638.0low020000
maltotriose
1
maltotriose trisaccharidehuman metabolite1999199925.0low001000
maltosyl isothiocyanate
1
1987198737.0medium010000
cadmium metallothionein
1
1996199628.0low001000
demecolcine
97
alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent		1973201536.9low16524440
cholic acid
1
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		1985198539.0low010000
erythritol
1
butane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite		1990199034.0low001000
deoxycholic acid
2
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite1974198544.5low020000
cortisone
3
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		1983198639.7low030000
colchiceine
1
cyclic ketone2013201311.0low000010
gamma-lumicolchicine
2
acetamides;
alkaloid;
carbotricyclic compound		1984199534.5low011000
anisomycin
2
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor		1994200624.0low001100
benzofurans
7
1987200830.3low050200
estramustine
1
17beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent		1988198836.0low010000
acetylstrophanthidin
1
acetate esteranti-arrhythmia drug1988198836.0low010000
tricaine
1
methanesulfonate saltgeneral anaesthetic2005200519.0low000100
solanine
2
1973197450.5low020000
wortmannin
32
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		1996201421.9low00151430
withanolides
1
201720177.0low000010
sorbinil
3
azaspiro compound;
chromanes;
imidazolidinone;
organofluorine compound;
oxaspiro compound		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor		1990199632.0low003000
acronine
1
acridone derivatives;
alkaloid		antineoplastic agent;
metabolite		1981198143.0low010000
cryptophycin
1
1994199430.0low001000
taurochenodeoxycholic acid
1
bile acid taurine conjugatehuman metabolite;
mouse metabolite		1994199430.0low001000
dihydropyridines
1
1996199628.0low001000
leupeptins
15
1980201531.9low093210
lithium chloride
2
inorganic chloride;
lithium salt		antimanic drug;
geroprotector		1991199730.0low002000
5'-methylthioadenosine
1
thioadenosinealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1989198935.0low010000
glycogen
23
1976201332.3low0117410
sorbose
5
L-sorbose;
sorbopyranose		1976199443.2low041000
arabinose
6
L-arabinoseEscherichia coli metabolite;
mouse metabolite		1977199537.7low033000
n-acetylneuraminic acid
4
N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite		1984199833.2low013000
mannose-6-phosphate
1
D-mannopyranose 6-phosphate2001200123.0low000100
fibrin
6
peptide1973201337.0low041010
bradykinin
10
oligopeptidehuman blood serum metabolite;
vasodilator agent		1974200034.2low037000
hexacyanoferrate iii
1
1997199727.0low001000
glucosamine
24
D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite		1972200942.0low0201300
mevalonic acid
1
3,5-dihydroxy-3-methylpentanoic acid1983198341.0low010000
lyxose
1
D-lyxose1993199331.0low001000
epiglucan
1
2005200519.0low000100
oxytocin
4
heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent		1973198547.2low040000
inositol 1,4,5-trisphosphate
8
myo-inositol trisphosphatemouse metabolite1985200132.1low025100
ouabain
59
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite		1972201438.4low03618410
puromycin
36
puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor		1973199244.9low0333000
tosylphenylalanyl chloromethyl ketone
6
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		1978198742.0low060000
alpha-aminobutyric acid
1
alpha-aminobutyric acid;
D-alpha-amino acid		1993199331.0low001000
pentostatin
2
coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor		1983198639.5low020000
n-formylmethionine
46
L-methionine derivative;
N-formyl amino acid;
proteinogenic amino acid		metabolite1976198342.8low0460000
adenosine 5'-o-(3-thiotriphosphate)
1
nucleoside triphosphate analogue2001200123.0low000100
dehydroascorbic acid
19
dehydroascorbic acid;
vitamin C		coenzyme;
mouse metabolite		1983201625.6low029710
strychnine
1
monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide		1974197450.0low010000
quinidine
2
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker		1991199133.0low002000
griseofulvin
15
1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite		1974200639.5low0112200
monensin
43
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		1981200833.6low02020300
digitoxin
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2002200222.0low000100
digitoxin
2
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor1988200229.0low010100
phalloidine
78
homodetic cyclic peptide1975201731.8low03035940
ryanodine
2
2010201312.5low000110
phorbol
1
cyclic ketone;
enone;
tertiary alcohol;
tertiary alpha-hydroxy ketone;
tetracyclic diterpenoid		2002200222.0low000100
lignans
2
2008201811.0low000110
acriflavine
1
1975197549.0low010000
acetylleucyl-leucyl-norleucinal
2
aldehyde;
tripeptide		cysteine protease inhibitor2000200521.5low001100
n-formylmethionine leucyl-phenylalanine
344
tripeptide1980202332.0low014814931142
sodium arsenite
3
arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide		1989200724.7low010200
betadex
7
cyclodextrin2005202113.9low000511
trichostatin a
1
antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		2009200915.0low000100
tretinoin
13
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		1978199933.7low076000
arachidonic acid
36
icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite		1981200334.6low02014200
farnesol
1
farnesolplant metabolite2002200222.0low000100
resveratrol
1
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		201520159.0low000010
retinol
7
retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite		1973200738.7low042100
latrunculin a
18
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		1988201818.5low015570
cyanoginosin lr
1
microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic		1991199133.0low001000
oleic acid
2
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		1988199532.5low011000
tacrolimus
2
macrolide lactambacterial metabolite;
immunosuppressive agent		201520197.0low000020
eicosapentaenoic acid
3
icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical		1984199533.3low012000
thapsigargin
5
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		1997200621.8low002300
mycophenolic acid
1
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		201520159.0low000010
zithromax
1
macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic		2006200618.0low100100
phenylalaninol
1
amino alcohol;
amphetamines;
primary alcohol;
primary amino compound		1980198044.0low010000
y 27632
4
aromatic amide2001200919.5low000400
adenosine-5'-(n-ethylcarboxamide)
1
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		1992199232.0low001000
diethylstilbestrol
8
olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen		1981201025.1low021500
zeatin
1
zeatinplant metabolite1980198044.0low010000
h 89
4
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide1992200923.5low002200
afimoxifene
1
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		2005200519.0low000100
imidazolidines
3
azacycloalkane;
imidazolidines;
saturated organic heteromonocyclic parent		1990199632.0low003000
phorbol-12,13-didecanoate
3
1984200032.7low012000
texas red
1
organic heteroheptacyclic compoundfluorochrome1986198638.0low010000
kt 5720
1
carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor1999199925.0low001000
dactinomycin
64
actinomycinmutagen1972201442.1low04911310
aphidicolin
12
tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite		1981199936.6low075000
azaserine
1
carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite		1975197549.0low010000
enkephalin, leucine
2
pentapeptide;
peptide zwitterion		analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite		1980198342.5low020000
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
2
amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor1998201517.5low001010
sodium thiocyanate
1
organic sodium salt201720177.0low000010
potassium fluoride
1
fluoride salt;
potassium salt		NMR chemical shift reference compound;
poison		1985198539.0low010000
bromochloroacetic acid
18
2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound		1981201932.3low097110
ck-0944666
1
benzamides;
indoles;
organofluorine compound		actin polymerisation inhibitor2011201113.0low000010
piperlactam s
1
alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite		2003200321.0medium000100
glycosides
15
1973200134.1low059100
chalcone
1
chalconeEC 3.2.1.1 (alpha-amylase) inhibitor2003200321.0low000100
isomethyleugenol
5
isomethyleugenol1972200239.0low040100
retinaldehyde
1
retinal;
vitamin A		gap junctional intercellular communication inhibitor;
human metabolite;
mouse metabolite		1986198638.0low010000
stilbenes
6
stilbene1984201525.7low022110
xanthohumol
1
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		201520159.0low000010
picibanil
3
penicillinate anion1992200424.3low001200
cannabidiol
1
olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite		1982198242.0low010000
arginine vasopressin
4
vasopressincardiovascular drug;
hematologic agent;
mitogen		1978200034.0low013000
pyrophosphate
4
diphosphate ion1975200040.8low031000
acetyl-aspartyl-glutamyl-valyl-aspartal
1
tetrapeptideprotease inhibitor2009200915.0low000100
n-octyl-beta-d-thioglucopyranoside
1
S-glycosyl compound1993199331.0low001000
n(6)-cyclopentyladenosine
1
2003200321.0low000100
sesquiterpenes
3
2002201016.7low000300
mercaptopurine
2
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		1974197450.0low020000
3,3',4,5'-tetrahydroxystilbene
2
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		2000200621.0low001100
thioinosine
15
1985199834.6low0105000
phenylthiourea
1
thioureasEC 1.14.18.1 (tyrosinase) inhibitor1999199925.0low001000
cotinine
1
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		1991199133.0low001000
flunarizine
1
diarylmethane1986198638.0low010000
curcumin
2
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		2009201512.0low000110
rhodanine
1
thiazolidinone1993199331.0low001000
methimazole
2
1,3-dihydroimidazole-2-thionesantithyroid drug1981198640.5low020000
cinnarizine
1
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		1986198638.0low010000
capsaicin
2
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker		1997200224.5low001100
metiamide
1
imidazoles1985198539.0low010000
terbinafine
1
acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor		1988198836.0low010000
epalrestat
1
monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor1993199331.0low001000
chlorogenic acid
1
cinnamate ester;
tannin		food component;
plant metabolite		2008200816.0low000100
thioguanine anhydrous
1
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		1975197549.0low010000
1,3-dimethylthiourea
1
2000200024.0low001000
thiourea
2
one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore		1974200037.0low011000
D-fructopyranose
16
cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent1977201726.1low036430
brij-58
1
1996199628.0low001000
succimer
1
dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator2009200915.0low000100
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole
1
benzoic acid;
imidazolines;
organic radical		apoptosis inhibitor;
radical scavenger		2009200915.0low000100
tamoxifen
2
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		2002200520.5low000200
nadp
6
1974201032.5low031200
valinomycin
7
cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore		1976199541.3low052000
lithium
9
alkali metal atom1972200039.9low072000
burimamide
1
imidazoles1976197648.0low010000
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester
5
1993200325.6low004100
rtki cpd
1
201820186.0low000010
cystine
1
1976197648.0low010000
3,3'-diallyldiethylstilbestrol
1
1992199232.0medium001000
safingol
1
amino alcohol1992199232.0low001000
carbonyl 3-chlorophenylhydrazone
1
1991199133.0low001000
amanitins
7
1975200437.0low051100
ginsenosides
1
2009200915.0low000100
phosphothreonine
1
L-threonine derivative;
non-proteinogenic L-alpha-amino acid;
O-phosphoamino acid		Escherichia coli metabolite1996199628.0low001000
ovalbumin
7
1972200135.6low033100
sodium dodecyl sulfate
4
organic sodium saltdetergent;
protein denaturant		1985199932.8low022000
sto 609
1
naphthoic acid2009200915.0low000100
blister
2
cyclic ketone;
pyrroloquinoline;
tertiary alcohol;
tertiary alpha-hydroxy ketone		inhibitor2010201511.5low000110
alpha-chymotrypsin
13
1973198743.2low0130000
tetramethylrhodamine isothiocyanate
1
1981198143.0low010000
epi 001
1
diether;
organochlorine compound		androgen antagonist2012201212.0low000010
naphthoquinones
2
1976199538.5low011000
sodium borohydride
2
inorganic sodium salt;
metal tetrahydridoborate		1981199237.5low011000
cathepsin g
7
1989200431.0low015100
rhodamine 123
1
organic cation;
xanthene dye		fluorochrome201620168.0low000010
myelin basic protein
7
1989201227.4low024010
7-nitrobenz-2-oxa-1,3-diazole-phallacidin
2
1984198738.5low020000
jnj 7777120
1
2014201410.0low000010
diethyl maleate
1
ethyl ester;
maleate ester		glutathione depleting agent2000200024.0low001000
sphingosine
5
sphing-4-eninehuman metabolite;
mouse metabolite		1992200723.8low002300
quercetin
5
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		1986201821.0low012020
dinoprostone
26
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		1983201330.5low0119510
dinoprost
1
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		2000200024.0low001000
leukotriene a4
3
epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid		human metabolite;
mouse metabolite;
plant metabolite		1982198738.7low030000
sterigmatocystin
1
sterigmatocystinsmetabolite1976197648.0low010000
apigenin
1
trihydroxyflavoneantineoplastic agent;
metabolite		2006200618.0low000100
luteolin
1
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		2001200123.0low000100
linoleic acid
1
octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite		1988198836.0low010000
calcitriol
5
D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical		1985201630.6low031010
scopoletin
1
hydroxycoumarinplant growth regulator;
plant metabolite		1977197747.0low010000
vitamin k semiquinone radical
5
1974199345.0low041000
11-cis-retinal
1
retinalchromophore;
human metabolite;
mouse metabolite		201520159.0low000010
leukotriene b4
50
dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent		1981201036.1low03414200
leukotriene c4
4
leukotrienebronchoconstrictor agent;
human metabolite;
mouse metabolite		1994200327.5low003100
thromboxane a2
7
epoxy monocarboxylic acid;
thromboxanes A		mouse metabolite1981199734.6low043000
alprostadil
19
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		1978200137.3low0144100
5-hydroxy-6,8,11,14-eicosatetraenoic acid
7
HETEhuman metabolite;
mouse metabolite		1981198839.4low070000
cholecalciferol
1
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite		1979197945.0low010000
6-ketoprostaglandin f1 alpha
1
prostaglandins Falphahuman metabolite;
mouse metabolite		2009200915.0low000100
zeaxanthin
1
carotenolantioxidant;
bacterial metabolite;
cofactor		2010201014.0low000100
lipoxin a4
1
hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite		1997199727.0low001000
alpha-linolenic acid
1
linolenic acid;
omega-3 fatty acid		micronutrient;
mouse metabolite;
nutraceutical		1985198539.0low010000
prostaglandin f1
1
prostaglandins Falphahuman metabolite1994199430.0low001000
genistein
27
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		1994201423.9low0017910
amphotericin b
3
antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite		1974199239.3low021000
montelukast
1
aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist		2010201014.0low000100
ethchlorvynol
1
1988198836.0low010000
mezerein
3
diterpenoid1985199037.3low021000
humulene
1
alpha-humulene1980198044.0low010000
baicalein
1
trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger		1987198737.0low010000
morusin
1
extended flavonoid;
trihydroxyflavone		antineoplastic agent;
plant metabolite		1999199925.0low001000
myricetin
1
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		2002200222.0low000100
wogonin
1
dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite		201620168.0low000010
maytansine
2
alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator		1979198144.0low020000
prostaglandin a1
1
prostaglandins A1985198539.0low010000
cerulenin
1
epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor		1975197549.0low010000
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid
16
stilbenoid1980201434.9low096010
4,4'-dinitro-2,2'-stilbenedisulfonic acid
1
4,4'-dinitrostilbene-2,2'-disulfonic acid1997199727.0low001000
tocotrienol, delta
1
tocotrienol;
vitamin E		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite		2014201410.0low000010
zinostatin
2
1975199738.0low011000
16,16-dimethylprostaglandin e2
1
cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent		1996199628.0low001000
leukotriene b5
2
dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		anti-inflammatory agent;
human xenobiotic metabolite;
rat metabolite		1984199534.5low011000
thromboxane b2
6
thromboxanes Bhuman metabolite;
mouse metabolite		1983200434.3low032100
4-hydroxy-2-nonenal
1
4-hydroxynon-2-enal;
4-hydroxynonenal		2012201212.0low000010
sphingosine 1-phosphate
1
sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent		2007200717.0low000100
cyproterone
2
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone		androgen antagonist1973197550.0low020000
sirolimus
2
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		201420159.5low000020
brefeldin a
21
macrolide antibioticPenicillium metabolite1995201523.0low0012810
anhydrovitamin a
1
sesquiterpenoid1999199925.0low001000
pactamycin
2
1980199238.0low011000
su 9516
1
201720177.0low000010
herbimycin
7
1,4-benzoquinones;
lactam;
macrocycle		antimicrobial agent;
apoptosis inducer;
herbicide;
Hsp90 inhibitor;
tyrosine kinase inhibitor		1992200126.1low005200
ono-ae1-329
1
2013201311.0low000010
lysophosphatidylcholines
12
1-O-acyl-sn-glycero-3-phosphocholine1981199940.2low0111000
calyculin a
9
1989201323.1low013410
obelin
1
1980198044.0low010000
sq 29548
1
1989198935.0low010000
casein kinase ii
1
2002200222.0low000100
erbstatin
2
1994199529.5low002000
lead
1
carbon group element atom;
elemental lead;
metal atom		neurotoxin2012201212.0low000010
12-hydroxy-5,8,10,14-eicosatetraenoic acid
1
1981198143.0low010000
diamide
8
1,1'-azobis(N,N-dimethylformamide)1978199042.5low071000
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid
1
1989198935.0low010000
antimony
1
metalloid atom;
pnictogen		1999199925.0low001000
cesium
2
alkali metal atom1999201417.5low001010
barium
5
alkaline earth metal atom;
elemental barium		1976199935.0low023000
rubidium
5
alkali metal atom1974199341.8low041000
aluminum
3
boron group element atom;
elemental aluminium;
metal atom		1988199732.0low012000
strontium
8
alkaline earth metal atom1973200831.5low041300
thallium
1
boron group element atom1999199925.0low001000
arsenic
11
metalloid atom;
pnictogen		micronutrient1975201427.0low042410
naltrexone
1
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic		2001200123.0low000100
lasalocid
3
beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore		1976198045.7low030000
batimastat
1
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor		1999199925.0low001000
sulfur
1
chalcogen;
nonmetal atom		macronutrient1981198143.0low010000
methylazoxymethanol acetate
1
azoxy compound1975197549.0low010000
diphenylhexatriene
1
alkatrienefluorochrome2000200024.0low001000
cytochalasin a
11
cytochalasin1982199935.5medium065000
cytochalasin e
26
cytochalasan alkaloidmetabolite1981200134.5high01114100
dimyristoylphosphatidylcholine
1
1,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester		antigen;
mouse metabolite		1984198440.0low010000
ecdysterone
1
14alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite		1997199727.0low001000
deoxyribose
1
deoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1977197747.0low010000
cysteine
14
cysteiniumfundamental metabolite1974200334.5low065300
silicon
3
carbon group element atom;
metalloid atom;
nonmetal atom		2003201515.0low000210
boron
1
boron group element atom;
metalloid atom;
nonmetal atom		micronutrient1998199826.0low001000
zerumbone
1
cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite		2010201014.0low000100
pepstatin
3
pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor		1983198539.7low030000
norbinaltorphimine
1
isoquinolines2001200123.0low000100
enkephalin, ala(2)-mephe(4)-gly(5)-
1
2001200123.0low000100
caesium-137
1
caesium atom201820186.0low000010
methoxysuccinyl-alanyl-alanyl-prolyl-valine chloromethyl ketone
1
alpha-chloroketone;
methyl ester;
tripeptide		EC 3.4.21.37 (leukocyte elastase) inhibitor1993199331.0low001000
bafilomycin a
6
1996202121.5low004101
abscisic acid
2
2-trans-abscisic acid2000201019.0low001100
3,3'-dihexyl-2,2'-oxacarbocyanine
2
1983198938.0low020000
3,3'-dioctadecylindocarbocyanine
1
Cy5 dye;
indolium ion		fluorochrome2001200123.0low000100
carbocyanines
7
cyanine dye;
organic iodide salt		fluorochrome1980201328.6low031210
4,4'-dibenzamido-2,2'-stilbenedisulfonic acid
1
1989198935.0low010000
1,2-dielaidoylphosphatidylethanolamine
1
2001200123.0low000100
geiparvarin
1
2001200123.0low000100
st 638
1
2003200321.0low000100
ammonium sulfate
1
ammonium salt;
inorganic sulfate salt		fertilizer1985198539.0low010000
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
16
1980199635.0low079000
mastoparan
1
mastoparans;
peptidyl amide		antimicrobial agent2002200222.0low000100
tetrodotoxin
8
azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid		animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker		1973200841.6low061100
selenium
1
chalcogen;
nonmetal atom		micronutrient1994199430.0low001000
tellurium
1
chalcogen;
metalloid atom		1999199925.0low001000
oxalates
1
1977197747.0low010000
diacetylmonoxime
7
1998200523.1low004300
antimycin a
7
amidobenzoic acid1973197948.0low070000
cytochalasin h
1
1982198242.0low010000
latrunculin b
18
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		1999201516.8low0011250
bafilomycin a1
1
cyclic hemiketal;
macrolide antibiotic;
oxanes		apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin		1993199331.0low001000
1-oleoyl-2-acetylglycerol
5
1,2-diglyceride1985200633.0low031100
1,2-dioleoyloxy-3-(trimethylammonium)propane
2
1996199926.5low002000
piriprost
1
1982198242.0low010000
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
1
1984198440.0low010000
diarachidonyl diglyceride
1
1995199529.0low001000
concanamycin a
2
carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite		1997199926.0low002000
14-hydroxy-4,14-retro-retinol
1
1999199925.0low001000
ditetradecylindocarbocyanine
1
1994199430.0low001000
leukotriene b3
1
hydroxy fatty acid;
polyunsaturated fatty acid		1995199529.0medium001000
tolytoxin
2
diterpene lactone1993199729.0medium002000
methyl docosahexaenoate
1
1993199331.0medium001000
presqualene pyrophosphate
1
2000200024.0low001000
cyclosporin h
2
2004201315.5low000110
fm1 43
1
organic bromide salt;
pyridinium salt;
quaternary ammonium salt;
tertiary amine		fluorochrome2006200618.0low000100
beta-escin
4
1984201130.5low021010
s-nitroso-n-acetylpenicillamine
1
nitroso compound;
nitrosothio compound		nitric oxide donor;
vasodilator agent		1993199331.0low001000
lactacystin
3
lactam;
S-substituted L-cysteine		1997200124.7low002100
gadolinium dtpa
1
gadolinium coordination entityMRI contrast agent1998199826.0low001000
sq-23377
30
cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite		1980201826.6low05131110
enkephalin, leucine-2-alanine
1
2001200123.0low000100
tubulazole
4
ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate1989199532.5medium022000
staurosporine
33
ammonium ion derivative1990200427.8low0026700
phosphocreatine
3
phosphagen;
phosphoamino acid		human metabolite;
mouse metabolite		1973199141.3low021000
triacsin c
1
hydrazone;
nitroso compound;
olefinic compound		antimalarial;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
vasodilator agent		1994199430.0low001000
8-bromoadenosine-3',5'-cyclic monophosphorothioate
1
2001200123.0low000100
midostaurin
1
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		1996199628.0low001000
jasplakinolide
16
cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent		1997201918.9low005740
n(6)-cyclohexyladenosine
1
1986198638.0low010000
ursodoxicoltaurine
1
bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent		1994199430.0low001000
pentagastrin
1
organic molecular entity1976197648.0low010000
mocetinostat
51
aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent		1975202331.7low02021811
17-hydroxywortmannin
1
1992199232.0low001000
l 858051
1
1988198836.0low010000
lipid a
2
dodecanoate ester;
lipid A;
tetradecanoate ester		Escherichia coli metabolite1983199435.5low011000
tetramethylrhodamine
1
xanthene dye1990199034.0low001000
g(m1) ganglioside
2
alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine;
sialotetraosylceramide		1993199828.5low002000
fmrfamide
1
2002200222.0low000100
alpha-synuclein
1
2005200519.0low000100
oxadiazoles
1
1985198539.0low010000
ucn 1028 c
3
1997200224.0low001200
ribose
2
D-ribose;
ribopyranose		1977198344.0low020000
acebutolol
15
alpha-D-glucosyl-(1->4)-D-mannopyranose1977200930.4low057300
palytoxin
1
polyoltoxin1996199628.0low001000
brimonidine tartrate
1
1996199628.0low001000
ro 31-8425
1
1997199727.0low001000
veratridine
2
1975198046.5low020000
cefdinir
1
1994199430.0low001000
azastene
1
1991199133.0low001000
losartan potassium
3
1982199338.3low021000
2-(n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-2-deoxyglucose
4
200820219.8low000121
calcimycin
147
benzoxazole1975200838.2low010932600
sepharose
9
1981200034.6low054000
pituitrin
18
1973200042.9low0162000
podophyllin
1
1979197945.0low010000
virginiamycin
1
2008200816.0low000100
eunicellin
2
2013201410.5low000020
acid phosphatase
12
1974200142.1low0101100
nad
2
organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite		1974198644.0low020000
cytochrome c-t
2
2003200918.0low000200
cosyntropin
1
1990199034.0low001000
melitten
2
1980199337.5low011000
cholecystokinin
2
1977198244.5low020000
ceruletide
3
oligopeptidediagnostic agent;
gastrointestinal drug		1978198045.0low030000
atrial natriuretic factor
5
polypeptide1990200230.0low004100
gastrins
3
1980198640.3low030000
glucagon
16
peptide hormone1973200243.1low0132100
thymosin beta(4)
4
1994201719.2low002020
s6c sarafotoxin
1
1994199430.0low001000
glucagon-like peptide 1
1
2014201410.0low000010
incretins
1
2012201212.0low000010
c-peptide
2
1985199136.0low011000
ristocetin
2
glycopeptide;
heterodetic cyclic peptide;
macrocycle;
tetrasaccharide derivative		antibacterial drug;
antimicrobial agent;
bacterial metabolite;
platelet-activating factor receptor agonist		1988199930.5low011000
cellulose
2
glycoside2003201316.0low000110
endothelin-1
4
2000200920.8low001300
phosphatidylcholines
20
1,2-diacyl-sn-glycero-3-phosphocholine1975200335.3low0118100
chlorophyll a
2
chlorophyll;
methyl ester		cofactor2011201312.0low000020
aluminum lactate
1
aluminium coordination entity;
lactate salt		2005200519.0low000100
thimerosal
4
alkylmercury compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen		1993200924.5low002200
nsc 23766
1
hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist		2008200816.0low000100
hoe 33342
4
1988200927.2low012100
calpain
3
1986199830.3low012000
lucifer yellow
1
organic lithium saltfluorochrome1986198638.0low010000
18-dehydroxycytochalasin h
1
2004200420.0medium000100
9-(tetrahydro-2-furyl)-adenine
2
1983200231.5low010100
arginine butyrate
1
1985198539.0low010000
bucladesine
117
3',5'-cyclic purine nucleotide1973200041.8low08928000
sarkosyl
1
1988198836.0low010000
2-(4'-maleimidylanilino)naphthalene-6-sulfonic acid
1
1993199331.0low001000
arginine
1
1989198935.0low010000
clomiphene citrate
1
1996199628.0low001000
pervanadate
1
1997199727.0low001000
cardiovascular agents
1
1999199925.0low001000
mannans
4
1988199631.2low013000
peptones
1
1973197351.0low010000
triiodothyronine, reverse
2
3,3',5'-triiodothyronine;
amino acid zwitterion		1982199834.0low011000
glycolipids
9
1975199838.6low063000
piperidines
1
2014201410.0low000010
thymosin
5
1991201722.0low003020
interleukin-8
18
1990201426.8low0014310
abemaciclib
1
201720177.0low000010
wzb117
2
201620187.0low000020
fructose-1,6-diphosphate
1
1991199133.0low001000
methylcellulose
1
1986198638.0low010000
vasoactive intestinal peptide
2
1985199335.0low011000
heparitin sulfate
3
1990199530.7low003000
tuftsin
3
peptide1977198343.3low030000
ascorbic acid
35
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		1979201427.5low06171110
chlortetracycline
4
1983198739.2low040000
salicylates
2
monohydroxybenzoateplant metabolite1973197550.0low020000
piroxicam
3
benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		1984199636.0low021000
warfarin
6
benzenes;
hydroxycoumarin;
methyl ketone		1974201523.8low011310
6-deoxy-6-fluoroascorbic acid
1
2003200321.0medium000100
epidermal growth factor
30
1979201833.7low01512210
transforming growth factor beta
12
1990200427.2low009300
okadaic acid
2
ketal1995200026.5low002000
glycyl-arginyl-glycyl-glutamyl-seryl-proline
1
1995199529.0low001000
phosphatidylethanol
2
1994199927.5low002000
globotriaosylceramide
1
1998199826.0low001000
thymic factor, circulating
2
1986199533.5low011000
trp-lys-tyr-met-val-met
2
2003200619.5low000200
agar
1
1979197945.0low010000
phleomycin d1
1
bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		1998199826.0low001000
mycalolide b
1
1997199727.0low001000
sar405
1
201920195.0low000010
cyclin d1
1
2000200024.0low001000
lysophosphatidylinositol
1
1993199331.0low001000
caseins
9
1974198743.4low090000
technetium tc 99m sulfur colloid
1
1981198143.0low010000
oligomycins
7
1973200642.3low051100
asbestos, crocidolite
4
1994200525.0low003100
g(m3) ganglioside
1
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide;
sialodiosylceramide;
sialotriaosylceramide		mouse metabolite1997199727.0low001000
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
2
2002200918.5low000200
nitrophenols
2
1974201529.5low010010
lewis x antigen
1
1998199826.0low001000
hyaluronoglucosaminidase
4
1973198047.2low040000
lipofectamine
1
1999199925.0low001000
nephrin
1
2003200321.0low000100
ginkgolide b
1
1987198737.0low010000
gibberellins
1
1998199826.0low001000
vitamin b 12
3
1976198941.7low030000
transforming growth factor alpha
1
1997199727.0low001000
cyclosporine
6
1995201519.5low002220
cytochalasin d
146
1980201631.7low062592050
lactoferrin
10
1978200138.8low072100
digitonin
8
1979200238.0low070100
tomatine
1
1989198935.0low010000
apyrase
5
1980199933.4low023000
thromboplastin
2
1978197846.0low020000
muramidase
75
1974200341.4low0677100
cyclic gmp
29
3',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1973200241.0low0208100
deoxyguanosine
2
purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1986199434.0low011000
deoxyinosine
1
purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1986198638.0low010000
guanosine diphosphate
2
guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor		1989199233.5low011000
guanosine monophosphate
1
guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite		1975197549.0low010000
guanosine triphosphate
6
guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor		1978200733.5low032100
guanine
3
2-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1975200435.0low020100
guanosine
4
guanosines;
purines D-ribonucleoside		fundamental metabolite1985200333.5low030100
hypoxanthine
2
nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite1986198837.0low020000
inosine
2
inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1986198837.0low020000
1-methyladenine
1
1997199727.0low001000
folic acid
2
folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient		1985199036.5low011000
3-methyladenine
3
1986201426.3low011010
guanosine 5'-o-(3-thiotriphosphate)
13
nucleoside triphosphate analogue1989200429.5low0111100
7-methylguanine
1
7-methylguanine2004200420.0low000100
rifampin
2
cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor		1979198343.0low020000
clozapine
1
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic		202020204.0low000010
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		2001200123.0low000100
allopurinol
7
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		1975199538.6low052000
guanylyl imidodiphosphate
2
nucleoside triphosphate analogue1983198739.0low020000
guanosine 5'-o-(2-thiodiphosphate)
2
nucleoside diphosphate analogue1989199233.5low011000
cytarabine
1
GDP-fucose1977197747.0low010000
tirapazamine
3
aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer		1997200124.7low002100
8-bromocyclic gmp
1
3',5'-cyclic purine nucleotide;
organobromine compound		muscle relaxant;
protein kinase G agonist		2000200024.0low001000
trypan blue
4
1980199736.2low022000
8-hydroxy-2'-deoxyguanosine
1
guanosinesbiomarker1994199430.0low001000
coelenterazine
1
1992199232.0low001000
cytidylyl-3'-5'-guanosine
1
(3'->5')-dinucleotide2005200519.0low000100
dibutyryl cyclic gmp
2
1990199034.0low002000
3'-o-methylguanosine
1
methylguanosinemetabolite2003200321.0low000100
cyanine dye 3
2
2008201313.5low000110
s 3226
1
2008200816.0low000100
eye
12
1974200138.0low074100
concanavalin a
142
1972200542.6low012515200
metallothionein
1
1996199628.0low001000
dinitrobenzenes
18
1980201526.8low046710
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein
1
2000200024.0low001000
phosphorus radioisotopes
5
1973200133.8low013100
leptin
3
2000200720.3low001200
pyrimidinones
5
1987201927.4low013010
8-azidoadenosine
2
1986198737.5low020000
tetrafluoroaluminate
1
1996199628.0low001000
filipin
3
1983200827.0low011100
phenanthrenes
1
2014201410.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
47,XX,+210
2
1999200024.5low002000
Abnormalities, Autosome0
51
1973201530.2low01623840
Abnormalities, Congenital0
3
1973198745.7low030000
Abnormalities, Drug-Induced0
7
1973199640.6low052000
Abnormality, Heart0
1
1981198143.0low010000
Abscess, Amebic0
2
1980201427.0low010010
Absence of Brain, Congenital0
2
1973197550.0low020000
Absence Seizure0
1
1991199133.0low001000
Acantholysis Bullosa0
1
1986198638.0low010000
Acidosis0
1
1992199232.0low001000
Acrania0
2
1985199633.5low011000
Acute Brain Injuries0
2
2012201411.0low000020
Acute Confusional Senile Dementia0
6
1989199931.2low024000
Acute Disease0
1
1994199430.0low001000
Acute Liver Injury, Drug-Induced0
1
2001200123.0low000100
Acute Lung Injury0
1
2012201212.0low000010
Acute Myelogenous Leukemia0
4
1985199735.0low031000
Acute Promyelocytic Leukemia0
8
1990201525.0low005120
Adenocarcinoma0
12
1977201728.3low044310
Adenocarcinoma Of Kidney0
2
1989198935.0low020000
Adenocarcinoma, Basal Cell0
12
1977201728.3low044310
Adenoma0
3
1985200034.0low021000
Adenoma, Basal Cell0
3
1985200034.0low021000
Adenoma, beta-Cell0
6
1984202127.5low032001
Adenoma, Islet Cell0
4
1984199037.0low031000
Adenoma, Prostatic0
1
1982198242.0low010000
Adenosis of Breast0
1
1983198341.0low010000
Adenoviridae Infections0
1
2003200321.0low000100
Adenovirus Infections0
1
2003200321.0low000100
Adhesions, Tissue0
1
1988198836.0low010000
Adjuvant Arthritis0
2
1987201921.0low010010
Adrenal Cancer0
16
1975199340.4low0133000
Adrenal Cortex Cancer0
7
1976199738.7low061000
Adrenal Cortex Neoplasms0
7
1976199738.7low061000
Adult Periodontitis0
1
2012201212.0low000010
African Lymphoma0
5
1972198745.0low050000
Agammaglobulinemia0
2
1973198047.5low020000
Aggressive Periodontitis0
1
1994199430.0low001000
Aging0
32
1973201331.7low01213610
AIDS, Murine0
1
1997199727.0low001000
Airflow Obstruction, Chronic0
1
2003200321.0low000100
Albuminuria0
1
2003200321.0low000100
Alcohol Abuse0
2
1994200027.0low002000
Alcohol Drinking0
3
2000201318.3low001110
Alcoholism0
2
1994200027.0low002000
ALDOB Deficiency0
1
1981198143.0low010000
Aldrich Syndrome0
1
2000200024.0low001000
Allergic Encephalomyelitis0
2
1987199234.5low011000
Allergic Reaction0
2
1998201020.0low001100
Alloxan Diabetes0
21
1978201231.6low0910110
alpha Mannosidase B Deficiency0
1
2009200915.0low000100
alpha-L-Iduronidase Deficiency0
1
2009200915.0low000100
alpha-Mannosidosis0
1
2009200915.0low000100
Alveolitis, Fibrosing0
2
1983200430.5low010100
Alzheimer Disease0
6
1989199931.2low024000
Amebiasis0
2
1980201427.0low010010
Amebiasis, Intestinal0
1
1973197351.0low010000
Amentia0
1
1999199925.0low001000
American Trypanosomiasis0
2
1983198440.5low020000
Amnionitis0
1
1991199133.0low001000
Anaphylactic Reaction0
2
1973198943.0low020000
Anaphylaxis0
2
1973198943.0low020000
Anaplastic Astrocytoma0
3
1978199536.7low021000
Anaplastic Ependymoma0
1
1983198341.0low010000
Anasarca0
1
2004200420.0low000100
Anemia0
1
1993199331.0low001000
Anemia, Sickle Cell0
2
1990201322.5low001010
Aneuploid0
22
1977200727.6low0216400
Angiitis0
3
1999200124.3low002100
Angioblastic Meningioma0
1
1978197846.0low010000
Anoxemia0
11
1973201332.4low062120
Anoxia-Ischemia, Brain0
1
2012201212.0low000010
Anoxia, Brain0
1
1999199925.0low001000
Anti-MuSK Myasthenia Gravis0
1
1977197747.0low010000
Antibody Deficiency Syndrome0
3
1984199336.7low021000
Apple Peel Small Bowel Syndrome0
1
1975197549.0low010000
Aqueductal Stenosis0
1
1975197549.0low010000
Arachnoidal Cerebellar Sarcoma, Circumscribed0
2
1992199331.5low002000
Armstrong Syndrome0
1
1978197846.0low010000
Arteriosclerosis0
2
1980199238.0low011000
Arthritis0
1
1987198737.0low010000
Arthritis, Degenerative0
1
1995199529.0low001000
Arthritis, Rheumatoid0
11
1973201933.2low055010
Ascites0
2
1973198445.5low020000
Asthma0
8
1973200430.9low032300
Asthma, Bronchial0
8
1973200430.9low032300
Astrocytoma0
3
1978199536.7low021000
Astrocytoma, Grade IV0
1
2007200717.0low000100
Ataxia Telangiectasia0
4
1990200327.5low003100
Ataxia Telangiectasia Syndrome0
4
1990200327.5low003100
Atopic Hypersensitivity0
4
1973198844.5low040000
Aura0
1
2001200123.0low000100
Autoimmune Diabetes0
1
2003200321.0low000100
Autoimmune Disease0
4
1987199830.2low013000
Autoimmune Diseases0
4
1987199830.2low013000
Autoimmune Thrombocytopenia0
1
1992199232.0low001000
Autosomal Chromosome Disorders0
1
1978197846.0low010000
Autosomal Recessive Chronic Granulomatous Disease0
7
1980201234.1low042010
B-Cell Chronic Lymphocytic Leukemia0
1
1990199034.0low001000
B-Cell Lymphoma0
2
1992199729.5low002000
B. burgdorferi Infection0
1
1984198440.0low010000
B16 Melanoma0
2
1990199830.0low002000
Babesia Infection0
1
2008200816.0low000100
Bacterial Disease0
4
1973198642.5low040000
Bacterial Infections0
4
1973198642.5low040000
Bagassosis0
1
1976197648.0low010000
Bang Disease0
1
1973197351.0low010000
Benign Cerebellar Neoplasms0
2
1983199236.5low011000
Benign Neoplasms0
24
1974202127.9low0103551
Benign Neoplasms, Brain0
10
1974201433.2low053020
Bernard-Soulier Syndrome0
2
1990199830.0low002000
Besnier-Boeck Disease0
2
1973197948.0low020000
Bile Duct Obstruction0
2
1975197748.0low020000
Bilharziasis0
1
1977197747.0low010000
Birth Weight0
1
2013201311.0low100010
Black Death0
1
2009200915.0low000100
Bladder Cancer0
4
1982199833.0low013000
Bleeding0
1
202020204.0low000010
Blood Clot0
2
2003201415.5low000110
Blood Coagulation Disorders0
1
202020204.0low000010
Blood Diseases0
1
1990199034.0low001000
Blood Poisoning0
3
1988199334.0low021000
Blood Pressure, High0
3
2000200223.0low001200
Body Weight0
11
1975200232.2low036200
Bone Cancer0
2
2002202112.5low000101
Bone Loss, Osteoclastic0
2
1976198444.0low020000
Bone Neoplasms0
2
2002202112.5low000101
Bovine Diseases0
2
1991200327.0low001100
Brain Edema0
1
2014201410.0low000010
Brain Injuries0
2
2012201411.0low000020
Brain Neoplasms0
10
1974201433.2low053020
Brain Swelling0
1
2014201410.0low000010
Breast Cancer0
14
1981201527.9low054320
Breast Neoplasms0
14
1981201527.9low054320
Bright Disease0
2
1985199434.5low011000
Bronchiolitis, Viral0
1
1983198341.0low010000
Bronchitis0
1
1982198242.0low010000
Brown Lung0
1
1974197450.0low010000
Bucket Handle Tears0
1
2012201212.0low000010
Burkitt Lymphoma0
5
1972198745.0low050000
Burns0
2
1991199232.5low002000
Calcinosis-Raynaud Phenomenon-Sclerodactyly-Telangiectasia0
1
1993199331.0low001000
Cancer of Cervix0
6
1973201922.0low011220
Cancer of Colon0
12
1979200928.5low046200
Cancer of Endometrium0
1
1996199628.0low001000
Cancer of Esophagus0
1
1989198935.0low010000
Cancer of Head0
1
2011201113.0low000010
Cancer of Intestines0
1
1975197549.0low010000
Cancer of Kidney0
3
1975198939.7low030000
Cancer of Larynx0
3
1972199643.0low021000
Cancer of Liver0
19
1973201938.4low0132310
Cancer of Lung0
16
1976201529.2low064420
Cancer of Mouth0
3
1972198446.3low030000
Cancer of Nasopharynx0
1
1985198539.0low010000
Cancer of Ovary0
3
1993201523.3low002010
Cancer of Pancreas0
7
1984202126.6low023101
Cancer of Pharynx0
1
2010201014.0low000100
Cancer of Pituitary0
5
1973200036.4low032000
Cancer of Prostate0
2
1982199834.0low011000
Cancer of Rectum0
1
1985198539.0low010000
Cancer of Skin0
9
1974200835.0low053100
Cancer of Stomach0
2
1995199728.0low002000
Cancer of Testis0
1
1988198836.0low010000
Cancer of the Thymus0
1
1992199232.0low001000
Cancer of the Thyroid0
1
2000200024.0low001000
Cancer of the Tongue0
1
1991199133.0low001000
Cancer of the Uterus0
4
1984201028.5low012100
Carbon Monoxide Poisoning0
1
1997199727.0low001000
Carbon Tetrachloride Poisoning0
1
1993199331.0low001000
Carcinoma0
15
1972201534.5low093120
Carcinoma 256, Walker0
5
1980199338.8low041000
Carcinoma, Anaplastic0
15
1972201534.5low093120
Carcinoma, Basal Cell0
1
1994199430.0low001000
Carcinoma, Basal Cell, Pigmented0
1
1994199430.0low001000
Carcinoma, Ehrlich Tumor0
42
1973200039.6low0339000
Carcinoma, Epidermoid0
23
1974200133.0low0912200
Carcinoma, Hepatocellular0
18
1973201938.3low0122310
Carcinoma, Lewis Lung0
1
1995199529.0low001000
Carcinoma, Renal Cell0
2
1989198935.0low020000
Carcinoma, Squamous Cell0
23
1974200133.0low0912200
Carcinoma, Thymic0
1
1992199232.0low001000
Carcinoma, Transitional Cell0
1
1994199430.0low001000
Cardiac Failure0
1
1990199034.0low001000
Cardiovascular Stroke0
1
1997199727.0low001000
Carotid Arteriopathies, Traumatic0
1
2001200123.0low000100
Cat Diseases0
1
2009200915.0low000100
Cataract0
2
1987200329.0low010100
Cataract, Membranous0
2
1987200329.0low010100
Cell Transformation, Neoplastic0
85
1973200645.2low0822100
Cell Transformation, Viral0
41
1977198942.8low0410000
Cells, Neoplasm Circulating0
1
1977197747.0low010000
Cervicitis0
2
1978198343.5low020000
Chagas Disease0
2
1983198440.5low020000
Chancroid0
2
1994199728.5low002000
Chediak-Higashi Syndrome0
1
1980198044.0low010000
Chemical and Drug Induced Liver Injury0
1
2001200123.0low000100
Child Development Deviations0
1
1991199133.0low001000
Chlamydia Infections0
5
1978200638.6low140100
Cholera0
1
1974197450.0low010000
Cholestasis0
2
1975197748.0low020000
Chondrosarcoma0
1
1985198539.0low010000
Chorioamnionitis0
1
1991199133.0low001000
Choriocarcinoma0
3
1984200828.7low011100
Chromosomal Breakage0
2
1998200025.0low002000
Chromosomal Instability0
2
2004201017.0low000200
Chromosomal Translocation0
1
1981198143.0low010000
Chromosomal Triplication0
2
1975199937.0low011000
Chromosome-Defective Micronuclei0
60
1991202122.1low103413121
Chronic Disease0
3
1979199137.0low012000
Chronic Illness0
3
1979199137.0low012000
Chronic Kidney Failure0
1
2011201113.0low000010
Chronic Lung Injury0
1
2009200915.0low000100
Ciliary Dyskinesia, Primary, 10
1
1980198044.0low010000
Cirrhoses, Experimental Liver0
1
1993199331.0low001000
Cirrhosis0
1
2013201311.0low000010
Cirrhosis, Liver0
1
1985198539.0low010000
Classic Galactosemia0
1
1988198836.0low010000
Cleft Palate0
1
1975197549.0low010000
Cleft Palate, Isolated0
1
1975197549.0low010000
Cleft Spine0
1
1973197351.0low010000
Coagulation Disorders, Blood0
1
202020204.0low000010
Coagulation Factor 12 Deficiency0
1
1983198341.0low010000
Colitis Gravis0
1
1985198539.0low010000
Colitis, Ulcerative0
1
1985198539.0low010000
Collagen Diseases0
1
1985198539.0low010000
Colonic Neoplasms0
12
1979200928.5low046200
Colorectal Cancer0
4
2005201713.5low000220
Colorectal Neoplasms0
4
2005201713.5low000220
Compensatory Hyperinsulinemia0
1
1978197846.0low010000
Complication, Postoperative0
1
1985198539.0low010000
Complications of Diabetes Mellitus0
2
1992201222.0low001010
Complications, Pregnancy0
2
1985198738.0low020000
Condition, Preneoplastic0
1
1980198044.0low010000
Congenital Zika Syndrome0
1
202020204.0low000010
Constriction, Pathologic0
1
1989198935.0low010000
Constriction, Pathological0
1
1989198935.0low010000
Contact Dermatitis0
1
1995199529.0low001000
Cornea Injuries0
1
1982198242.0low010000
Corneal Injuries0
1
1982198242.0low010000
Coronary Disease0
2
1997200025.5low102000
Coronary Heart Disease0
2
1997200025.5low102000
Coronavirus Infections0
1
1995199529.0low001000
Cryptosporidiosis0
1
2000200024.0low001000
Cryptosporidium Infection0
1
2000200024.0low001000
Cutis Elastica0
1
1973197351.0low010000
Cystic Fibrosis0
4
1975201634.5low030010
Cystic Fibrosis of Pancreas0
4
1975201634.5low030010
Cytomegalovirus0
6
1977200329.5low021300
Deficiency Diseases0
1
1975197549.0low010000
Deficiency of Glucose-6-Phosphate Dehydrogenase0
1
1990199034.0low001000
Deficiency of GP 2b 3a Complex0
1
1990199034.0low001000
Deficiency, Mental0
1
1974197450.0low010000
Deficiency, Protein0
1
1987198737.0low010000
Deficiency, Vitamin E0
1
1980198044.0low010000
Delayed Hypersensitivity0
3
1974198743.3low030000
Dementia0
1
1999199925.0low001000
Dementia Praecox0
1
202020204.0low000010
Dental Plaque0
2
1976197847.0low020000
Dermatitis, Contact0
1
1995199529.0low001000
Dermatitis, Eczematous0
1
1976197648.0low010000
Developmental Disabilities0
1
1991199133.0low001000
Di Guglielmo Disease0
10
1977199438.2low073000
Diabetes Mellitus0
5
1974199435.8low014000
Diabetes Mellitus, Adult-Onset0
11
1985201724.6low016220
Diabetes Mellitus, Type 10
1
2003200321.0low000100
Diabetes Mellitus, Type 20
11
1985201724.6low016220
Diabetic Glomerulosclerosis0
2
1999200323.0low001100
Diabetic Nephropathies0
2
1999200323.0low001100
Diathesis0
1
1998199826.0low001000
Disease Exacerbation0
1
201520159.0low000010
Disease Models, Animal0
14
1974202026.6low052340
Disease, Pulmonary0
1
1993199331.0low001000
Diseases, Occupational0
2
2004201216.0low000110
Down Syndrome0
2
1999200024.5low002000
Duncan Disease0
1
1998199826.0low001000
Dwarfism0
1
2014201410.0low000010
Dysembryoma0
5
1979199239.0low032000
Dysmyelopoietic Syndromes0
1
1993199331.0low001000
E coli Infections0
1
1989198935.0low010000
Eczema0
1
1976197648.0low010000
Edema0
1
2004200420.0low000100
Edema, Pulmonary0
2
1982198341.5low020000
Ehlers-Danlos Syndrome0
1
1973197351.0low010000
EHS Tumor0
7
1973200142.6low051100
Electrolytes0
5
1976198841.2low050000
Encephalitis, Inclusion Body, Measles0
1
1976197648.0low010000
Encephalitis, Polio0
1
2011201113.0low000010
Endocarditis, Loeffler0
1
1995199529.0low001000
Endometrial Neoplasms0
1
1996199628.0low001000
Endotoxemia0
1
2009200915.0low000100
Entamoeba histolytica Infection0
1
1980198044.0low010000
Eosinophilia0
1
1984198440.0low010000
Eosinophilia, Tropical0
1
1984198440.0low010000
Ependymoma0
1
1983198341.0low010000
Eperythrozoonosis0
1
1980198044.0low010000
Epidermolysis Bullosa0
1
1986198638.0low010000
Epilepsy0
1
2001200123.0low000100
Equine Diseases0
1
2009200915.0low000100
Erythroblastosis Fetalis0
1
1984198440.0low010000
Escherichia coli Infections0
1
1989198935.0low010000
Esophageal Neoplasms0
1
1989198935.0low010000
Experimental Hepatoma0
11
1979200236.5low072200
Experimental Leukemia0
13
1973199143.8low0112000
Experimental Lung Inflammation0
1
2012201212.0low000010
Experimental Mammary Neoplasms0
8
1978198941.0low080000
Experimental Neoplasms0
54
1973199644.4low0495000
Experimental Pneumococcal Meningitis0
1
1984198440.0low010000
Extrasystole, Ventricular0
1
1998199826.0low001000
Extravascular Hemolysis0
9
1973201330.9low040320
Eye Diseases0
2
1980198641.0low020000
Eye Disorders0
2
1980198641.0low020000
Fasciolopsiasis0
1
1994199430.0low001000
Fasting Hypoglycemia0
3
1976200035.3low012000
Fatty Liver0
1
1977197747.0low010000
Female Genital Diseases0
1
2006200618.0low100100
Fetal Death0
1
1975197549.0low010000
Fever0
1
1983198341.0low010000
Fibrocystic Breast Disease0
1
1983198341.0low010000
Fibroid0
1
1994199430.0low001000
Fibroma, Shope0
2
1973197948.0low020000
Fibrosarcoma0
6
1980199931.3low024000
Fibrosis0
1
2013201311.0low000010
Foreign-Body Reaction0
1
1999199925.0low001000
Francisella tularensis Infection0
1
2005200519.0low000100
Galactosemias0
1
1988198836.0low010000
Ganglioside Storage Diseases0
1
1978197846.0low010000
Gangliosidoses0
1
1978197846.0low010000
Genetic Non-Disjunction0
9
1996200724.1low007200
Genital Diseases, Female0
1
2006200618.0low100100
Genome Instability0
5
2011202010.0low000050
Germinoblastoma0
17
1973200138.2low0114200
Giardia duodenalis Infection0
1
2002200222.0low000100
Giardiasis0
1
2002200222.0low000100
Gigantism0
1
1994199430.0low001000
Gingival Pocket0
1
1991199133.0low001000
Gingivitis0
2
1991199431.5low002000
Glandular Fever0
2
1975198743.0low020000
Glaucoma0
3
1980198939.7low030000
Glial Cell Tumors0
24
1975201435.9low0157110
Glioblastoma0
1
2007200717.0low000100
Glioma0
24
1975201435.9low0157110
Glomerulonephritis0
2
1985199434.5low011000
Glucose Intolerance0
1
1994199430.0low001000
Glucosephosphate Dehydrogenase Deficiency0
1
1990199034.0low001000
Gout0
2
1983199933.0low011000
Granulocytic Leukemia0
9
1975199534.9low045000
Granulocytic Leukemia, Chronic0
2
1995201121.0low001010
Granuloma, Hodgkin0
1
1979197945.0low010000
Granulomatosis with Polyangiitis0
4
1989200129.2low012100
Granulomatosis, Wegener's0
4
1989200129.2low012100
Granulomatous Disease, Chronic0
7
1980201234.1low042010
Group A Strep Infection0
2
1980198740.5low020000
Hairy Cell Leukemia0
1
1979197945.0low010000
Hansen Disease0
2
1983198639.5low020000
Hay Fever0
1
1997199727.0low001000
HbS Disease0
2
1990201322.5low001010
Head and Neck Neoplasms0
1
2011201113.0low000010
Heart Defects, Congenital0
1
1981198143.0low010000
Heart Disease, Ischemic0
2
2001200222.5low000200
Heart Failure0
1
1990199034.0low001000
Hematologic Diseases0
1
1990199034.0low001000
Hemolysis0
9
1973201330.9low040320
Hemorrhage0
1
202020204.0low000010
Hemorrhage, Subarachnoid0
1
2014201410.0low000010
Hepatitis0
1
1979197945.0low010000
Hepatitis C0
1
2011201113.0low000010
Hepatitis, Viral, Animal0
1
1995199529.0low001000
Hepatitis, Viral, Human0
1
2004200420.0low000100
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted0
1
2011201113.0low000010
Hepatocellular Carcinoma0
18
1973201938.3low0122310
Herpes Simplex0
3
1983198838.7low030000
Herpes Simplex Virus Infection0
3
1983198838.7low030000
Hirsutism0
1
1985198539.0low010000
Hodgkin Disease0
1
1979197945.0low010000
Hypereosinophilic Syndrome0
1
1995199529.0low001000
Hypergammaglobulinemia0
1
1980198044.0low010000
Hyperglycemia0
5
1973200334.4low022100
Hyperglycemia, Postprandial0
5
1973200334.4low022100
Hyperinsulinism0
1
1978197846.0low010000
Hyperplasia0
1
1978197846.0low010000
Hypersensitivity0
2
1998201020.0low001100
Hypersensitivity, Type III0
1
1976197648.0low010000
Hypertension0
3
2000200223.0low001200
Hyperthyroid0
2
1978197846.0low020000
Hyperthyroidism0
2
1978197846.0low020000
Hypertrophy0
3
1978201732.7low020010
Hypogammaglobulinemia0
2
1973198047.5low020000
Hypoglycemia0
3
1976200035.3low012000
Hypoxia0
11
1973201332.4low062120
Hypoxia-Ischemia, Brain0
1
2012201212.0low000010
Idiopathic Parkinson Disease0
1
1999199925.0low001000
Immunologic Deficiency Syndromes0
3
1984199336.7low021000
Impaired Glucose Tolerance0
1
1994199430.0low001000
Infant, Newborn, Diseases0
1
1980198044.0low010000
Infections, Chlamydia0
5
1978200638.6low140100
Infections, Coronavirus0
1
1995199529.0low001000
Infections, Plasmodium0
4
1981199038.2low031000
Infections, Respirovirus0
1
1983198341.0low010000
Infections, Salmonella0
1
1987198737.0low010000
Infections, Staphylococcal0
1
1984198440.0low010000
Infectious Mononucleosis0
2
1975198743.0low020000
Infertility, Female0
1
2003200321.0low000100
Infertility, Male0
1
2000200024.0low001000
Inflammation0
24
1976202127.2low0103731
Inflammatory Response Syndrome, Systemic0
1
2012201212.0low000010
Injuries0
3
1987200330.3low011100
Injuries, Prenatal0
1
2003200321.0low000100
Injury, Myocardial Reperfusion0
1
2002200222.0low000100
Innate Inflammatory Response0
24
1976202127.2low0103731
Insulin Resistance0
16
1985201431.5low068110
Insulin Sensitivity0
16
1985201431.5low068110
Insulinoma0
6
1984202127.5low032001
Intellectual Disability0
1
1974197450.0low010000
Interstitial Cell Tumor0
2
1983198440.5low020000
Intestinal Neoplasms0
1
1975197549.0low010000
Intraocular Pressure0
6
1977199740.8low051000
Invasiveness, Neoplasm0
5
1980200932.6low022100
Island Cell Tumor0
4
1984199037.0low031000
Kahler Disease0
2
1987199135.0low011000
Keratitis0
1
1980198044.0low010000
Kidney Diseases0
1
2006200618.0low000100
Kidney Failure, Chronic0
1
2011201113.0low000010
Kidney Neoplasms0
3
1975198939.7low030000
Koch's Disease0
2
1975198643.5low020000
Labor, Premature0
1
1991199133.0low001000
Laryngeal Neoplasms0
3
1972199643.0low021000
Lead Poisoning0
1
2012201212.0low000010
Legionellosis0
1
1987198737.0low010000
Leiomyoma0
1
1994199430.0low001000
Leishmania Infection0
1
1982198242.0low010000
Leishmaniasis0
1
1982198242.0low010000
Leprosy0
2
1983198639.5low020000
Leucocythaemia0
9
1986201523.8low014130
Leukemia0
9
1986201523.8low014130
Leukemia L 12100
5
1975201534.8low022010
Leukemia L51780
2
2000200621.0low001100
Leukemia P3880
4
1981201531.5low030010
Leukemia, Erythroblastic, Acute0
10
1977199438.2low073000
Leukemia, Hairy Cell0
1
1979197945.0low010000
Leukemia, Lymphoblastic, Acute, T Cell0
1
201520159.0low000010
Leukemia, Lymphocytic0
11
1973198844.6low0110000
Leukemia, Lymphocytic, Chronic, B-Cell0
1
1990199034.0low001000
Leukemia, Lymphocytic, T Cell0
2
1991199929.0low002000
Leukemia, Lymphoid0
11
1973198844.6low0110000
Leukemia, Myelogenous, Chronic, BCR-ABL Positive0
2
1995201121.0low001010
Leukemia, Myeloid0
9
1975199534.9low045000
Leukemia, Myeloid, Acute0
4
1985199735.0low031000
Leukemia, Myelomonocytic, Chronic0
1
1993199331.0low001000
Leukemia, Promyelocytic, Acute0
8
1990201525.0low005120
Leukemia, T-Cell0
2
1991199929.0low002000
Leukocytosis0
1
1997199727.0low001000
Leukorrhea0
1
1978197846.0low010000
Libman-Sacks Disease0
1
1975197549.0low010000
Lichen Planus0
1
1974197450.0low010000
Lichen Ruber Planus0
1
1974197450.0low010000
Lipidoses0
1
1976197648.0low010000
Liver Cirrhosis0
1
1985198539.0low010000
Liver Diseases0
2
2001200421.5low000200
Liver Dysfunction0
2
2001200421.5low000200
Liver Neoplasms0
19
1973201938.4low0132310
Liver Steatosis0
1
1977197747.0low010000
Lower Extremity Weakness, Spastic0
1
2003200321.0low000100
Lung Diseases0
1
1993199331.0low001000
Lung Injury, Acute0
1
2012201212.0low000010
Lung Neoplasms0
16
1976201529.2low064420
Lupus Erythematosus, Systemic0
1
1975197549.0low010000
Lyme Disease0
1
1984198440.0low010000
Lymphatic Diseases0
1
1975197549.0low010000
Lymphoma0
17
1973200138.2low0114200
Lymphoma, B-Cell0
2
1992199729.5low002000
Lymphoma, T-Cell0
3
1992199331.3low003000
Lymphoproliferative Disorders0
1
1998199826.0low001000
Malaria0
4
1981199038.2low031000
Malaria, Falciparum0
1
1997199727.0low001000
Malignant Melanoma0
19
1973201535.9low0117010
Mast-Cell Sarcoma0
12
1973199345.0low093000
Measles0
1
1983198341.0low010000
Medulloblastoma0
2
1992199331.5low002000
Melanoma0
19
1973201535.9low0117010
Melanoma, Amelanotic0
1
1999199925.0low001000
Meningioma0
1
1978197846.0low010000
Meningitis, Pneumococcal0
1
1984198440.0low010000
Menopause0
1
2000200024.0low001000
Mesothelioma0
1
1977197747.0low010000
Metabolic Acidosis0
1
1992199232.0low001000
Metastase0
9
1976200937.2low062100
Milk Fever, Animal0
1
2003200321.0low000100
Mouth Neoplasms0
3
1972198446.3low030000
MS (Multiple Sclerosis)0
1
1979197945.0low010000
Mucopolysaccharidoses0
1
1974197450.0low010000
Mucopolysaccharidosis0
1
1974197450.0low010000
Mucopolysaccharidosis I0
1
2009200915.0low000100
Multiple Myeloma0
2
1987199135.0low011000
Multiple Sclerosis0
1
1979197945.0low010000
Muscle Contraction0
33
1972200935.3low0179700
Muscle Relaxation0
2
1986200827.0low010100
Muscular Dystrophies0
2
1985198937.0low020000
Muscular Dystrophy0
2
1985198937.0low020000
Myasthenia Gravis0
1
1977197747.0low010000
Myelodysplastic Syndromes0
1
1993199331.0low001000
Myelomonocytic Leukemia, Chronic0
1
1993199331.0low001000
Myeloproliferative Disorders0
1
1986198638.0low010000
Myocardial Infarction0
1
1997199727.0low001000
Myocardial Ischemia0
2
2001200222.5low000200
Nanism0
1
2014201410.0low000010
Nasal Catarrh0
1
1990199034.0low001000
Nasopharyngeal Neoplasms0
1
1985198539.0low010000
Necrosis0
10
1973201623.2low014230
Neoplasm Metastasis0
9
1976200937.2low062100
Neoplasm Seeding0
1
1981198143.0low010000
Neoplasms0
24
1974202127.9low0103551
Neoplasms, Nerve Tissue0
1
1974197450.0low010000
Nephrosis0
1
1980198044.0low010000
Nephrotic Syndrome0
2
1981200332.0low010100
Neural Tube Defects0
2
1985199633.5low011000
Neurilemmoma0
2
1986198638.0low020000
Neurilemoma0
2
1986198638.0low020000
Neuroblastoma0
25
1974200537.7low0159100
Neutropenia0
3
1981199237.0low021000
Obesity0
8
1973199736.4low044000
Osteoarthritis0
1
1995199529.0low001000
Osteogenic Sarcoma0
4
1998202118.8low002101
Osteosarcoma0
4
1998202118.8low002101
Ovarian Neoplasms0
3
1993201523.3low002010
Palmoplantaris Pustulosis0
2
1983198739.0low020000
Pancreatic Neoplasms0
7
1984202126.6low023101
Parkinson Disease0
1
1999199925.0low001000
Parodontosis0
1
1978197846.0low010000
Pemphigus0
1
1984198440.0low010000
Pemphigus Foliaceus0
1
1984198440.0low010000
Pericementitis0
5
1987201228.2low013010
Periodontal Diseases0
1
1978197846.0low010000
Periodontal Pocket0
4
1991201226.0low003010
Periodontitis0
5
1987201228.2low013010
Peritonitis0
1
1996199628.0low001000
Pharyngeal Neoplasms0
1
2010201014.0low000100
Pheochromocytoma0
9
1981199336.4low063000
Pheochromocytoma, Extra-Adrenal0
9
1981199336.4low063000
Pituitary Neoplasms0
5
1973200036.4low032000
Plague0
1
2009200915.0low000100
Plasma Cell Tumor0
3
1978198643.0low030000
Plasmacytoma0
3
1978198643.0low030000
Plasmodium falciparum Malaria0
1
1997199727.0low001000
Pneumoconiosis0
1
1976197648.0low010000
Pneumonia0
1
2012201212.0low000010
Pocket, Periodontal0
4
1991201226.0low003010
Poisoning, Lead0
1
2012201212.0low000010
Poliomyelitis0
1
2011201113.0low000010
Polyarthritis0
1
1987198737.0low010000
Polycystic Ovarian Syndrome0
1
1985198539.0low010000
Polycystic Ovary Syndrome0
1
1985198539.0low010000
Polyploid0
41
1972201236.9low02217110
Postoperative Complications0
1
1985198539.0low010000
Precancerous Conditions0
1
1980198044.0low010000
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma0
1
201520159.0low000010
Pregnancy0
94
1973202033.0low150191870
Pregnancy in Diabetes0
2
1985199932.0low011000
Primary Peritonitis0
1
1996199628.0low001000
Prostatic Hyperplasia0
1
1982198242.0low010000
Prostatic Neoplasms0
2
1982199834.0low011000
Psoriasis0
2
1983198739.0low020000
Pulmonary Disease, Chronic Obstructive0
1
2003200321.0low000100
Pulmonary Edema0
2
1982198341.5low020000
Pulmonary Fibrosis0
2
1983200430.5low010100
Purpura, Thrombocytopenic0
1
1980198044.0low010000
Purpura, Thrombocytopenic, Idiopathic0
1
1992199232.0low001000
Purpura, Thrombopenic0
1
1980198044.0low010000
Pyrexia0
1
1983198341.0low010000
Rectal Neoplasms0
1
1985198539.0low010000
Reticulum Cell-Like Sarcoma, Yoshida0
3
1973198048.3low030000
Retinal Diseases0
2
1986198638.0low020000
Rhabdomyosarcoma0
3
1974197649.0low030000
Rheumatic Diseases0
1
1975197549.0low010000
Rheumatism0
1
1975197549.0low010000
Rheumatoid Arthritis0
11
1973201933.2low055010
Rhinitis0
1
1990199034.0low001000
Rhinitis, Allergic, Nonseasonal0
1
2004200420.0low000100
Rhinitis, Allergic, Perennial0
1
2004200420.0low000100
Rhinitis, Allergic, Seasonal0
1
1997199727.0low001000
Rubeola0
1
1983198341.0low010000
Salmonella Infections, Animal0
1
1981198143.0low010000
Sarcoidosis0
2
1973197948.0low020000
Sarcoma0
2
1974199440.0low011000
Sarcoma, Epithelioid0
2
1974199440.0low011000
Schistosomiasis0
1
1977197747.0low010000
Schizophrenia0
1
202020204.0low000010
Seizures0
1
1991199133.0low001000
Sensitivity and Specificity0
16
1996201021.9low008800
Sepsis0
3
1988199334.0low021000
Skin Aging0
1
201520159.0low000010
Skin Neoplasms0
9
1974200835.0low053100
Staphylococcal Infections0
1
1984198440.0low010000
Starvation0
3
1976198641.7low030000
Sterility, Female0
1
2003200321.0low000100
Sterility, Male0
1
2000200024.0low001000
Stomach Neoplasms0
2
1995199728.0low002000
Streptococcal Infections0
2
1980198740.5low020000
Subarachnoid Hemorrhage0
1
2014201410.0low000010
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Teratocarcinoma0
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Safety/Toxicity (36)

ArticleYear
Mitochondrial aggregation caused by cytochalasin B compromises the efficiency and safety of three-parent embryo.
Molecular human reproduction, , 10-28, Volume: 28, Issue:11		2022
Suitability of the In Vitro Cytokinesis-Block Micronucleus Test for Genotoxicity Assessment of TiO
International journal of molecular sciences, , Aug-09, Volume: 22, Issue:16		2021
High-Content Assay Multiplexing for Muscle Toxicity Screening in Human-Induced Pluripotent Stem Cell-Derived Skeletal Myoblasts.
Assay and drug development technologies, , Volume: 16, Issue:6
Successful proof of concept of a micronucleus genotoxicity assay on reconstructed epidermis exhibiting intrinsic metabolic activity.
Mutation research. Genetic toxicology and environmental mutagenesis, , Volume: 829-830
Assessing in vitro cytotoxicity of cell micromotion by Hilbert-Huang transform.
Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference, , Volume: 2014		2014
Glucagon-like peptide 1 stimulates insulin secretion via inhibiting RhoA/ROCK signaling and disassembling glucotoxicity-induced stress fibers.
Endocrinology, , Volume: 155, Issue:12		2014
Comparative genotoxicity of nanosilver in human liver HepG2 and colon Caco2 cells evaluated by fluorescent microscopy of cytochalasin B-blocked micronucleus formation.
Journal of applied toxicology : JAT, , Volume: 34, Issue:11		2014
Genotoxic effects of copper oxide nanoparticles in Neuro 2A cell cultures.
The Science of the total environment, , Dec-15, Volume: 441		2012
Can standard genotoxicity tests be applied to nanoparticles?
Journal of toxicology and environmental health. Part A, , Volume: 75, Issue:13-15		2012
Evaluation of genotoxic effects of lead in pottery-glaze workers using micronucleus assay, alkaline comet assay and DNA diffusion assay.
International archives of occupational and environmental health, , Volume: 85, Issue:7		2012
Evaluation of the genotoxicity of zerumbone in cultured human peripheral blood lymphocytes.
Toxicology in vitro : an international journal published in association with BIBRA, , Volume: 24, Issue:3		2010
Use of electric cell-substrate impedance sensing to assess in vitro cytotoxicity.
Biosensors & bioelectronics, , Apr-15, Volume: 24, Issue:8		2009
Comparison of different methods for an accurate assessment of cytotoxicity in the in vitro micronucleus test. I. Theoretical aspects.
Mutation research, , Volume: 655, Issue:1-2
Comparison of different methods for an accurate assessment of cytotoxicity in the in vitro micronucleus test. II: Practical aspects with toxic agents.
Mutation research, , Volume: 655, Issue:1-2
Investigating the mechanism of enhanced cytotoxicity of HPMA copolymer-Dox-AGM in breast cancer cells.
Journal of controlled release : official journal of the Controlled Release Society, , Jan-22, Volume: 117, Issue:1		2007
Lack of genotoxic effects (micronucleus induction) in human lymphocytes exposed in vitro to 900 MHz electromagnetic fields.
Radiation research, , Volume: 160, Issue:2		2003
Genotoxic effects of N-nitrosodicyclohexylamine in isolated human lymphocytes.
Archives of toxicology, , Volume: 75, Issue:2		2001
Rat eosinophil-mediated antibody-dependent cellular cytotoxicity: investigations of the mechanisms of target cell lysis and inhibition by glucocorticoids.
Clinical and experimental immunology, , Volume: 48, Issue:3		1982
Mechanisms of human cell-mediated cytotoxicity. III. Dependence of natural killing on microtubule and microfilament integrity.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 129, Issue:6		1982
Two distinct mechanisms of cytotoxicity by porcine alveolar macrophages in antibody-dependent and immobilized immune complex-dependent cellular cytotoxicity.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 131, Issue:3		1983
Human peritoneal macrophage cytotoxicity mediated by cytophilic IgG.
The Journal of infectious diseases, , Volume: 148, Issue:6		1983
Active target cell processes, possibly involving receptor-mediated endocytosis, are critical for expression of cytotoxicity by natural killer cell-derived cytolytic factor.
Cellular immunology, , Oct-01, Volume: 102, Issue:1		1986
Mechanism of target cytolysis by peptide defensins. Target cell metabolic activities, possibly involving endocytosis, are crucial for expression of cytotoxicity.
Journal of immunology (Baltimore, Md. : 1950), , Apr-15, Volume: 140, Issue:8		1988
Lysosomal enzyme release from macrophages: a model of food yeast toxicity evaluation.
Acta biologica Hungarica, , Volume: 39, Issue:4		1988
Neutrophil-mediated cytotoxicity triggered by immune complexes: the role of reactive oxygen metabolites.
Clinical and experimental immunology, , Volume: 69, Issue:3		1987
Chrysotile asbestos-induced cytotoxicity and calcium-dependent exocytosis in polymorphonuclear leukocytes.
Research communications in chemical pathology and pharmacology, , Volume: 65, Issue:3		1989
The mechanism of human NK cell-mediated cytotoxicity. Mode of action of surface-associated proteases in the early stages of the lytic reaction.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 135, Issue:2		1985
Use of rat primary lung cells for studying genotoxicity with the sister-chromatid exchange and micronucleus assays.
Mutation research, , Volume: 241, Issue:1		1990
Antibody-dependent cytotoxicity: modulation by the cytochalasins and microtubule-disruptive agents.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 114, Issue:3		1975
Use of tracheal organ cultures in toxicity testing.
Environmental health perspectives, , Volume: 16		1976
Immediate cytotoxicity of Chlamydia trachomatis for mouse peritoneal macrophages.
Infection and immunity, , Volume: 20, Issue:3		1978
Analysis of the adhesion step in the herpes simplex virus antibody-dependent cellular cytotoxicity system.
Infection and immunity, , Volume: 26, Issue:1		1979
Polymorph-mediated antibody-dependent cytoxicity--modulation of activity by drugs and immune interferon.
Canadian journal of microbiology, , Volume: 22, Issue:9		1976
Antibody-dependent cell-mediated cytotoxicity in humans. I. Characterization of the effector cell.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 115, Issue:1		1975
A comparison of the effector cells involved in cell-mediated lympholysis and antibody-dependent cell-mediated cytotoxicity in man.
Scandinavian journal of immunology, , Volume: 4, Issue:2		1975
Antibody-dependent cell-mediated cytotoxicity: heterogeneity of effector cells in human peripheral blood.
Scandinavian journal of immunology, , Volume: 4, Issue:5-6		1975

Long-term Use (2)

ArticleYear
New aspects in pathogenesis of konzo: neural cell damage directly caused by linamarin contained in cassava (Manihot esculenta Crantz).
The British journal of nutrition, , Volume: 90, Issue:2		2003
Effects of insulin on glucose metabolism and glucose transport in fat cells of hormone-treated hypophysectomized rats: evidence that growth hormone restricts glucose transport.
Endocrinology, , Volume: 105, Issue:5		1979

Pharmacokinetics (26)

ArticleYear
[Cyto B dependent and ouabain insensitive regulatory volume decrease in bicellular mouse embryo].
Ontogenez, , Volume: 43, Issue:2
Clearance of CD43-capped cells by macrophages: capping alone leads to phagocytosis.
Biological & pharmaceutical bulletin, , Volume: 35, Issue:4		2012
Vascular smooth muscle contraction evoked by cell volume modulation: role of the cytoskeleton network.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, , Volume: 21, Issue:1-3		2008
Importance of cytoskeletal elements in volume regulatory responses of trout hepatocytes.
American journal of physiology. Regulatory, integrative and comparative physiology, , Volume: 289, Issue:3		2005
Hyperosmotic stress induces formation of tubulin macrotubules in root-tip cells of Triticum turgidum: their probable involvement in protoplast volume control.
Plant & cell physiology, , Volume: 43, Issue:8		2002
P-gp-induced modulation of regulatory volume increase occurs via PKC in mouse proximal tubule.
American journal of physiology. Renal physiology, , Volume: 282, Issue:1		2002
Phagocytosis and clearance of apoptotic cells is mediated by MER.
Nature, , May-10, Volume: 411, Issue:6834		2001
Modulation of volume-sensitive Cl - channels and cell volume by actin filaments and microtubules in human cervical cancer HT-3 cells.
Acta physiologica Scandinavica, , Volume: 167, Issue:3		1999
Hypotonic Ca2+ signaling and volume regulation in proliferating and quiescent cells from multicellular spheroids.
Journal of cellular physiology, , Volume: 175, Issue:2		1998
Changes of actin cytoskeleton during swelling and regulatory volume decrease in cultured astrocytes.
The American journal of physiology, , Volume: 271, Issue:6 Pt 1		1996
Modulation of a volume-regulated chloride current by F-actin.
The Journal of membrane biology, , Volume: 147, Issue:3		1995
Relation between cytoskeleton, hypo-osmotic treatment and volume regulation in Ehrlich ascites tumor cells.
The Journal of membrane biology, , Volume: 131, Issue:1		1993
Modulation of the bacterial clearance activity of haemocytes from the freshwater mollusc, Lymnaea stagnalis, by the avian schistosome, Trichobilharzia ocellata.
Parasitology, , Volume: 109 ( Pt 3)		1994
Cytoskeleton and ion movements during volume regulation in cultured PC12 cells.
The Journal of membrane biology, , Volume: 133, Issue:2		1993
Ouabain-insensitive mechanism of cell volume maintenance in the carp kidney.
Physiologia Bohemoslovaca, , Volume: 31, Issue:3		1982
Macrophage handling of soluble immune complexes: evaluation of mechanisms involved in the selective clearance of complexes from the circulation.
Molecular immunology, , Volume: 22, Issue:5		1985
Cytochalasin B: preparation, analysis in tissue extracts, and pharmacokinetics after intraperitoneal bolus administration in mice.
Analytical biochemistry, , Volume: 161, Issue:2		1987
Relations between cell volume control, microfilaments and microtubules networks in T2 and PC12 cultured cells.
Journal de physiologie, , Volume: 83, Issue:1		1988
Effect of adenosine 3',5'-cyclic monophosphate on volume and cytoskeleton of MDCK cells.
The American journal of physiology, , Volume: 250, Issue:2 Pt 1		1986
Gap junctional permeability is affected by cell volume changes and modulates volume regulation.
FEBS letters, , Dec-10, Volume: 276, Issue:1-2		1990
Involvement of cell calcium and transmembrane potential in control of hepatocyte volume.
Hepatology (Baltimore, Md.), , Volume: 13, Issue:5		1991
Comparative studies of volume restoration following cold-stress induced swelling in renal tissues--I. Effects of ouabain, K+ free medium, colchicine and cytochalasin B on rat and rabbit kidney cortex slices.
Comparative biochemistry and physiology. A, Comparative physiology, , Volume: 97, Issue:2		1990
Taurine release associated to volume regulation in rabbit lymphocytes.
Journal of cellular biochemistry, , Volume: 45, Issue:2		1991
Volume changes induced in rabbit polymorphonuclear leukocytes by chemotactic factor and cytochalasin B.
The American journal of pathology, , Volume: 81, Issue:1		1975
Lysosomal enzyme secretion and volume contraction induced in neutrophils by cytochalasin B, chemotactic factor and A23187.
Proceedings of the Society for Experimental Biology and Medicine. Society for Experimental Biology and Medicine (New York, N.Y.), , Volume: 149, Issue:2		1975
Elimination of asialofetuin and asialoorosomucoid by the intact rat. Quantitative aspects of the hepatic clearance mechanism.
Biochimica et biophysica acta, , Jul-03, Volume: 541, Issue:3		1978

Bioavailability (3)

ArticleYear
Transport of stearic acid-based solid lipid nanoparticles (SLNs) into human epithelial cells.
Colloids and surfaces. B, Biointerfaces, , Apr-01, Volume: 140		2016
Lack of genotoxic effects (micronucleus induction) in human lymphocytes exposed in vitro to 900 MHz electromagnetic fields.
Radiation research, , Volume: 160, Issue:2		2003
Mechanism of tubular uptake on human growth hormone in perfused rat kidneys.
The Journal of pharmacology and experimental therapeutics, , Volume: 236, Issue:3		1986

Dosage (60)

ArticleYear
Dose-Response of Micronuclei in Binucleated and Mononucleated Lymphocytes from Cytochalasin Culture (Irradiation in vivo and in vitro).
Radiatsionnaia biologiia, radioecologiia, , Volume: 56, Issue:5		2016
Microcalorimetric method to assess phagocytosis: macrophage-nanoparticle interactions.
The AAPS journal, , Volume: 13, Issue:1		2011
Evaluation of phenolphthalein, diazepam and quinacrine dihydrochloride in the in vitro mammalian cell micronucleus test in Chinese hamster ovary (CHO) and TK6 cells.
Mutation research, , Oct-29, Volume: 702, Issue:2		2010
Neurofilament transport is dependent on actin and myosin.
The Journal of neuroscience : the official journal of the Society for Neuroscience, , Oct-27, Volume: 24, Issue:43		2004
An automated scoring procedure for the micronucleus test by image analysis.
Mutagenesis, , Volume: 19, Issue:5		2004
[Genotoxicity of oxazepam--the micronucleus cytochalasin-B test].
Medicinski arhiv, , Volume: 56, Issue:2		2002
Separate effects of triploidy, parentage and genomic diversity upon feeding behaviour, metabolic efficiency and net energy balance in the Pacific oyster Crassostrea gigas.
Genetical research, , Volume: 76, Issue:3		2000
Correlation between the clonogenic initial slope and the response of polykaryon-forming units: the behavior of strains defective in XRCC5 and ATM and the heritability of small variations in radioresponse.
Radiation research, , Volume: 154, Issue:6		2000
Vascular remodeling and the local delivery of cytochalasin B after coronary angioplasty in humans.
Journal of the American College of Cardiology, , Mar-01, Volume: 35, Issue:3		2000
The syndecan family of proteoglycans. Novel receptors mediating internalization of atherogenic lipoproteins in vitro.
The Journal of clinical investigation, , Sep-15, Volume: 100, Issue:6		1997
Analysis of chromosome segregation by means of fluorescence in situ hybridization: application to cytokinesis-blocked human lymphocytes.
Mutation research, , Volume: 372, Issue:2		1996
Cytoskeleton and PCH-induced pigment aggregation in Macrobrachium potiuna erythrophores.
Pigment cell research, , Volume: 8, Issue:4		1995
Prediction of the initial slope of the acute clonogenic survival curve by the post-irradiation behaviour of cytochalasin-induced polykaryons.
International journal of radiation biology, , Volume: 68, Issue:6		1995
Navigational errors made by growth cones without filopodia in the embryonic Xenopus brain.
Neuron, , Volume: 11, Issue:2		1993
Inhibition of the high-affinity glucose transporter GLUT 1 affects the sensitivity to glucose in a hamster-derived pancreatic beta cell line (HIT).
Diabetologia, , Volume: 36, Issue:11		1993
Simultaneous detection of X-chromosome loss and non-disjunction in cytokinesis-blocked human lymphocytes by in situ hybridization with a centromeric DNA probe; implications for the human lymphocyte in vitro micronucleus assay using cytochalasin B.
Mutagenesis, , Volume: 9, Issue:3		1994
Radiation dose-dependent variations of micronuclei production in cytochalasin B-blocked human lymphocytes.
Teratogenesis, carcinogenesis, and mutagenesis, , Volume: 14, Issue:1		1994
The micronucleus assay: an evaluation of its use in determining radiosensitivity in vitro.
Mutagenesis, , Volume: 10, Issue:3		1995
Interactions between antibiotics and human neutrophils in the killing of staphylococci.
The Journal of clinical investigation, , Volume: 67, Issue:1		1981
Early changes in concanavalin A-stimulated lymphocytes detected by the fluorescent probe N-phenyl-1-naphthylamine.
Cell and tissue research, , Volume: 214, Issue:1		1981
Cytochalasin B affects the gap and tight junctions of mouse hepatocytes in vivo.
Journal of submicroscopic cytology, , Volume: 14, Issue:3		1982
Stimulation by chemotactic factor of actin association with the cytoskeleton in rabbit neutrophils. Effects of calcium and cytochalasin B.
The Journal of biological chemistry, , Nov-25, Volume: 258, Issue:22		1983
Potentiating actions of hydroxyeicosatetraenoates on human neutrophil degranulation responses to leukotriene B4 and phorbol myristate acetate.
Research communications in chemical pathology and pharmacology, , Volume: 40, Issue:3		1983
Role of extracellular calcium and neutrophil degranulation responses to 1-O-alkyl-2-O-acetyl-sn-glycero-3-phosphocholine.
The American journal of pathology, , Volume: 105, Issue:2		1981
PGBX, a prostagandin derivative, mimics the action of the calcium ionophore A23187 on human neutrophils.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 125, Issue:5		1980
Interferon induction by viruses. XI. Early events in the induction process.
Journal of interferon research, ,Fall, Volume: 4, Issue:4		1984
Calcium causes the biphasic dose-response curve for pancreatic amylase secretion.
Experientia, , Feb-15, Volume: 38, Issue:2		1982
Effects of high concentrations of secretagogues on the morphology and secretory activity of the pancreas: a role for microfilaments.
Cell and tissue research, , Volume: 222, Issue:1		1982
Effects of insulin on the lipid structure of liver plasma membrane measured with fluorescence and ESR spectroscopic methods.
Biochimica et biophysica acta, , Oct-03, Volume: 776, Issue:2		1984
Inhibition of phagocytosis and plasma membrane mobility of the cultivated macrophage by cytochalasin B. Role of subplasmalemmal microfilaments.
The Journal of cell biology, , Volume: 62, Issue:3		1974
Cytokinesis-block micronucleus method in human lymphocytes: effect of in vivo ageing and low dose X-irradiation.
Mutation research, , Volume: 161, Issue:2		1986
Prostaglandin E1 inhibits N-formyl-methionyl-leucyl-phenylalanine-mediated depolarization responses by decreasing the proportion of responsive cells without affecting chemotaxin-induced forward light scatter changes.
Journal of immunology (Baltimore, Md. : 1950), , Dec-15, Volume: 139, Issue:12		1987
Effects of protein deficiency on the teratogenicity of cytochalasins in mice.
Teratology, , Volume: 35, Issue:1		1987
Colchicine reverts cell shape but not collagen phenotypes in corneal endothelial cells modulated by polymorphonuclear leukocytes.
Investigative ophthalmology & visual science, , Volume: 28, Issue:5		1987
Reaction of an exofacial sulfhydryl group on the erythrocyte hexose carrier with an impermeant maleimide. Relevance to the mechanism of hexose transport.
The Journal of biological chemistry, , Sep-25, Volume: 263, Issue:27		1988
Use of the frequencies of micronuclei as quantitative indicators of X-ray-induced chromosomal aberrations in human peripheral blood lymphocytes: comparison of two methods.
Mutation research, , Volume: 207, Issue:3-4
Direct interaction of phenylarsine oxide with hexose transporters in isolated rat adipocytes.
Biochimica et biophysica acta, , Oct-20, Volume: 944, Issue:3		1988
Spontaneous expulsion of micronuclei by enucleation in the micronucleus assay.
Mutation research, , Volume: 207, Issue:3-4
Measurement of micronuclei by cytokinesis-block method in cultured Chinese hamster cells: comparison with types and rates of chromosome aberrations.
Mutation research, , Volume: 190, Issue:1		1987
Generation of leukotrienes by human monocytes pretreated with cytochalasin B and stimulated with formyl-methionyl-leucyl-phenylalanine.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 136, Issue:2		1986
Gene amplification in Djungarian hamster cell lines possessing decreased plasma membrane permeability for colchicine and some other drugs.
Chromosoma, , Volume: 92, Issue:1		1985
Effects of cytochalasin B on Na+ content and cell volume of Entamoeba histolytica.
Biochimica et biophysica acta, , May-14, Volume: 815, Issue:2		1985
Blocking of collagenase secretion by estramustine during in vitro tumor cell invasion.
Cancer research, , Nov-15, Volume: 48, Issue:22		1988
Comparisons of dose-response parameters for radiation-induced acentric fragments and micronuclei observed in cytokinesis-arrested lymphocytes.
Mutagenesis, , Volume: 4, Issue:4		1989
Postreceptor defect in insulin action in streptozotocin-induced diabetic rats.
The American journal of physiology, , Volume: 256, Issue:5 Pt 1		1989
Cytochalasin B-induced redistribution of cytokeratin filaments in PtK1 cells.
Cell motility and the cytoskeleton, , Volume: 7, Issue:4		1987
Antigen-dependent transition of IgE to a detergent-insoluble form is associated with reduced IgE receptor-dependent secretion from RBL-2H3 mast cells.
Journal of cellular physiology, , Volume: 144, Issue:1		1990
Involvement of cell calcium and transmembrane potential in control of hepatocyte volume.
Hepatology (Baltimore, Md.), , Volume: 13, Issue:5		1991
Effect of thiols on micronucleus frequency in gamma-irradiated mammalian cells.
Mutation research, , Volume: 247, Issue:1		1991
Micronuclei in human lymphocytes irradiated in vitro or in vivo.
Radiation research, , Volume: 128, Issue:3		1991
Actin filament alterations in rat hepatocytes induced in vivo and in vitro by microcystin-LR, a hepatotoxin from the blue-green alga, Microcystis aeruginosa.
Veterinary pathology, , Volume: 28, Issue:4		1991
Assessment of neutrophil leukocyte secretory response to fMLP in whole blood in vitro.
Journal of leukocyte biology, , Volume: 52, Issue:2		1992
Parthenogenetic development of bovine oocytes treated with ethanol and cytochalasin B after in vitro maturation.
Molecular reproduction and development, , Volume: 33, Issue:3		1992
IL-8 stimulates phosphatidylinositol-4-phosphate kinase in human polymorphonuclear leukocytes.
Journal of immunology (Baltimore, Md. : 1950), , May-15, Volume: 148, Issue:10		1992
Role of microtubule assembly in lysosomal enzyme secretion from human polymorphonuclear leukocytes. A reevaluation.
The Journal of cell biology, , Volume: 73, Issue:1		1977
Studies on intracellular transport of secretory proteins in the rat exocrine pancreas. II. Inhibition of antimicrotubular agents.
Virchows Archiv. A, Pathological anatomy and histology, , Nov-28, Volume: 368, Issue:4		1975
Inhibition of mammary gland lactose secretion by colchicine and vincristine.
The American journal of physiology, , Volume: 234, Issue:5		1978
Chemiluminescence of phagocytic cells caused by N-formylmethionyl peptides.
The Journal of experimental medicine, , Jan-01, Volume: 147, Issue:1		1978
Cytochalasin B-dependent release of azurophil granule enzymes from human polymorphonuclear leukocytes.
Inflammation, , Volume: 2, Issue:4		1977
[The influence of cytochalasin B, colchicine, and vinblastine on the attachment of Entamoeba histolytica to glass surfaces (author's transl)].
Zeitschrift fur Parasitenkunde (Berlin, Germany), , Nov-01, Volume: 60, Issue:2		1979

Interactions (4)

ArticleYear
β-HPV 8E6 combined with TERT expression promotes long-term proliferation and genome instability after cytokinesis failure.
Virology, , Volume: 549		2020
Transgenic cloned mice expressing enhanced green fluorescent protein generated by activation stimuli combined with 6-dimethylaminopurine.
Reproduction in domestic animals = Zuchthygiene, , Volume: 43, Issue:5		2008
Anticonvulsant effect of cytoskeletal depolymerizers in combination with potassium channel opener and adenylate cyclase activator; a causative link with nerve growth factor?
Indian journal of experimental biology, , Volume: 39, Issue:5		2001
Anti-immunoglobulin in combination with cytochalasin stimulates proliferation of murine B lymphocytes.
Journal of immunology (Baltimore, Md. : 1950), , Volume: 135, Issue:1		1985