Compounds > aristolochic acid i
Page last updated: 2024-09-20

aristolochic acid i

Description

aristolochic acid I: phospholipase A inhibitor [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

aristolochic acid A : An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

FloraRankFlora DefinitionFamilyFamily Definition
AristolochiagenusA plant genus of the family ARISTOLOCHIACEAE. Species of this genus have been used in traditional medicine but they contain aristolochic acid which is associated with nephropathy. These are sometimes called 'snakeroot' but that name is also used with a number of other plants such as POLYGALA; SANICULA; ASARUM; ARISTOLOCHIA; AGERATINA; and others.[MeSH]AristolochiaceaeA plant family of the order Aristolochiales subclass Magnoliidae class Magnoliopsida. They are mostly tropical woody vines and a few temperate-zone species. The flowers are 3-parted; some species lack petals while others are large and foul smelling.[MeSH]

Cross-References

ID SourceID
PubMed CID2236
CHEMBL ID93353
CHEBI ID2825
SCHEMBL ID166284
MeSH IDM0040292

Synonyms (139)

Synonym
MLS002695974
chebi:2825 ,
CHEMBL93353 ,
8-methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure
phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
nsc 11926
brn 0345159
birthwort
einecs 206-238-3
8-methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid
aristolochic acid-i
8-methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid
8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid
ccris 1544
aristolochiazaeure
aristolochine
nsc 50413
3,4-methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid
c17h11no7
nsc-50413
KBIO1_001488
DIVK1C_006544
NCIMECH_000812
SPECTRUM4_001952
SPECTRUM_001156
IDI1_033910
tardolyt
tr 1736
nsc-11926
mls002702976 ,
nsc11926 ,
aristolochin
phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
BIO2_000640
BIO1_000418
BIO1_001396
BIO2_000160
BIO1_000907
tnp00273
NCGC00017334-01
BSPBIO_002848
BSPBIO_001440
8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro-
aristolochic acid a
NSC50413 ,
313-67-7
C08469
aristolochic acid
aristolochic acid i
aristolochic acid i, powder
NCGC00095981-03
NCGC00095981-01
NCGC00095981-02
KBIOSS_001636
KBIO3_000320
KBIO2_001636
KBIOSS_000160
KBIO3_000319
KBIOGR_000160
KBIO2_005296
KBIO3_002068
NCI60_000460
KBIOGR_002387
KBIO2_002728
KBIO2_006772
KBIO2_004204
KBIO2_000160
SPECPLUS_000448
SPECTRUM2_000822
SPECTRUM3_001114
SPBIO_000743
SPECTRUM1502233
SPECTRUM5_000729
NCGC00095981-05
NCGC00095981-04
8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
HMS1989H22
smr001562128
HMS1791H22
HMS1361H22
2-naphthyl pyrovalerone-d8 hydrochloride
bdbm50306855
8-methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
S9193
CCG-36162
CCG-35796
NCGC00017334-02
NCGC00017334-04
NCGC00017334-05
NCGC00017334-03
NCGC00017334-06
NCGC00017334-07
aristolochic acid 1
94218wfp5t ,
unii-94218wfp5t
FT-0602867
AKOS015896751
aristolochic acid, plants containing [iarc]
aristolochic acid [who-dd]
aristolochic acid [iarc]
aristolochia a
aristolochic acid [mi]
tr-1736
SCHEMBL166284
AC-34489
Q-100394
aristolochic-acid-a
8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid #
phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
BBFQZRXNYIEMAW-UHFFFAOYSA-N
HMS3402H22
DTXSID0040969 ,
mfcd00004996
sr-05000002369
SR-05000002369-2
SR-05000002369-3
aristolochia, european pharmacopoeia (ep) reference standard
aristolochic acid i, european pharmacopoeia (ep) reference standard
aris-tolochic acid
1246815-48-4
BS-16911
aristolochic acid a,(s)
Q21099362
goq ,
8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
CS-0009050
aristolochic acid i;tr 1736
mixture of aristolochic acid a and b
HY-N0510
XA167153
aristolochicacida
aristolochia
gtpl12438
aristolochic acid, plants containing (iarc)
8-methoxy-6-nitrophenanthro(3,4-d)(1,3)dioxole-5-carboxylic acid
dtxcid8020969
aristolochic acid (iarc)

Research Excerpts

Overview

ExcerptReference
"Aristolochic acid I (AAI) is a well established nephrotoxin and human carcinogen. "( Chen, C; Chen, SZ; Chen, XF; Dong, YP; Fan, ZC; Feng, F; Gu, YQ; He, HS; Jiang, LX; Sun, ZR; Wang, HY; Wen, W; Zhang, Y, 2023)
"Aristolochic Acid I (AAI) is an environmental and foodborne toxin found in the Aristolochia and Asarum species of plants that are widespread all over the world. "( Chen, M; Ke, S; Li, J; Liu, X; Tian, J; Yu, BY; Yu, H, 2023)
"Aristolochic acid I (AAI) is a well-known genotoxic kidney carcinogen. "( Abdullah, R; Louisse, J; Punt, A; Rietjens, IMCM; Spenkelink, B; Wesseling, S, 2020)
"Aristolochic acid I (AAI) is a potent nephrotoxic and carcinogenic compound produced by plants of the Aristolochiaceae family and thoroughly investigated as a main culprit in the etiology of Balkan endemic nephropathy (BEN). "( Drăghia, LP; Lukinich-Gruia, AT; Oprean, C; Păunescu, V; Pavlović, NM; Tatu, CA, 2021)
"Aristolochic acid I (AAI) is a phytocompound that is linked to the progressive renal disease and development of human urothelial carcinoma. "( Huang, YT; Liu, BH; Lu, CC; Wu, TS; Yu, FY, 2018)
"Aristolochic acid I is a nephrotoxic compound widely existing in many kinds of traditional Chinese medicines, especially in Aristolochiaceae medicinal plants. "( Chang, C; Du, W; Fu, Q; Ge, Y; Guo, PQ; Liu, RL; Luo, ZM; Shu, H; Xu, XY, 2018)
"Aristolochic acid I (AAI) is a potent carcinogen and was found to be toxic in animal and clinical studies."( Kwak, DH; Lee, HS; Lee, S; Moon, JS; Park, JH, 2014)
"Aristolochic acid I (AAI) is a plant alkaloid causing aristolochic acid nephropathy, Balkan endemic nephropathy and their associated urothelial malignancies. "( Arlt, VM; Bárta, F; Hodek, P; Levová, K; Martínek, V; Schmeiser, HH; Stiborová, M, 2015)
"Aristolochic acid I (AAI) is a natural plant alkaloid causing aristolochic acid nephropathy, Balkan endemic nephropathy and their associated urothelial malignancies. "( Arlt, VM; Bárta, F; Dračínská, H; Frei, E; Hudecová, A; Kopka, K; Levová, K; Moserová, M; Schmeiser, HH; Stiborová, M, 2016)
"Aristolochic acid I (AAI) is a plant drug found in Aristolochia species that causes aristolochic acid nephropathy, Balkan endemic nephropathy and their associated urothelial malignancies. "( Arlt, VM; Bárta, F; Frei, E; Martínek, V; Milichovský, J; Schmeiser, HH; Stiborová, M, 2016)
"Aristolochic acid I (AA-I) is a strong nephrotoxin, carcinogen, and mutagen found in plants such as the Aristolochia species. "( Cai, SQ; Jia, Y; Li, XM; Li, XW; Shang, MY; Shoyama, Y; Tan, HR; Wang, D; Wang, X; Xu, F; Yang, L; Yang, XX, 2016)
"Aristolochic acid I (AAI) is a phytotoxin that has been found in various herbal remedies and linked to the development of human carcinogenesis. "( Lin, TH; Liu, BH; Liu, MC; Lu, CC; Wu, TS; Yu, FY, 2011)
"Aristolochic acid I (AAI) is a primary nephrotoxin and carcinogen that is found in some Chinese herbal medicines, and AAI is responsible for the progression of aristolochic acid nephropathy. "( Cheng, J; Dou, Y; Du, Y; Li, L; Lou, Y; Tan, Y; Yang, H; Zheng, X; Zhu, D, 2011)
"Aristolochic acid I (AA-I), which is a known nephrotoxin, is found in a commonly used Chinese medicine, Xixin, that originates from nine Asarum species (Aristolochiaceae) found in China. "( Cai, SQ; Chiang, ST; Hsai, JL; Hsiao, SS; Jong, TT; Lee, MR; Wu, TS, 2003)

Effects

ExcerptReference
"Aristolochic acid I (AAI) has been widely found in herbal remedies and linked to the development of nephropathy and urothelial carcinoma in humans. "( Chen, TW; Liu, BH; Wu, TS; Yu, FY, 2011)
"Aristolochic acid itself has no influence on the number of rosettes but compensates the diminuation caused by prednisolone."( Müller, HJ; Siering, H, 1981)

Actions

ExcerptReference
"Aristolochic acid is the cause of aristolochic acid nephropathy (AAN) and Balkan endemic nephropathy (BEN) and their associated urothelial malignancies. "( Arlt, VM; Bárta, F; Frei, E; Levová, K; Schmeiser, HH; Stiborová, M, 2014)

Roles (5)

RoleDescription
nephrotoxinA poison that interferes with the function of the kidneys.
carcinogenic agentA role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
mutagenAn agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
toxinPoisonous substance produced by a biological organism such as a microbe, animal or plant.
metaboliteAny intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (6)

ClassDescription
monocarboxylic acidAn oxoacid containing a single carboxy group.
C-nitro compoundA nitro compound having the nitro group (-NO2) attached to a carbon atom.
cyclic acetalAn acetal in the molecule of which the acetal carbon and one or both oxygen atoms thereon are members of a ring.
organic heterotetracyclic compound
aromatic etherAny ether in which the oxygen is attached to at least one aryl substituent.
aristolochic acidsOrganic heterotetracyclic compounds which are a group of nitro phenanthrene organic acids, naturally found in many kinds of plants, such as Aristolochia and Asarum, and widely cultivated in Asia.They are identified as a class 1 human carcinogen by the International Agency for Research on Cancer owing to their carcinogenicity and nephrotoxicity and can pose a significant hazard to food safety and human health.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (35)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency22.33420.140911.194039.8107AID2451
glp-1 receptor, partialHomo sapiens (human)Potency28.18380.01846.806014.1254AID624417
GLS proteinHomo sapiens (human)Potency12.58930.35487.935539.8107AID624170
TDP1 proteinHomo sapiens (human)Potency19.96550.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency14.83250.180013.557439.8107AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency34.81060.011212.4002100.0000AID1030
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency11.58210.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency31.62283.548119.542744.6684AID743266
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency14.12540.425612.059128.1838AID504891
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency14.12540.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency14.12540.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency14.12540.15855.287912.5893AID540303
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency14.72130.00798.23321,122.0200AID2546
gemininHomo sapiens (human)Potency4.10950.004611.374133.4983AID624296
survival motor neuron protein isoform dHomo sapiens (human)Potency10.00000.125912.234435.4813AID1458
cytochrome P450 3A4 isoform 1Homo sapiens (human)Potency6.02520.031610.279239.8107AID884; AID885
lethal factor (plasmid)Bacillus anthracis str. A2012Potency10.00000.020010.786931.6228AID912
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency7.94330.025911.239831.6228AID602313
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
GABA theta subunitRattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Potency6.68771.000012.224831.6228AID885
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Cyclin-dependent kinase 2Homo sapiens (human)IC50 (µMol)20.00000.00041.044410.0000AID457604
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (31)

Processvia Protein(s)Taxonomy
G1/S transition of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
G2/M transition of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICyclin-dependent kinase 2Homo sapiens (human)
DNA replicationCyclin-dependent kinase 2Homo sapiens (human)
DNA repairCyclin-dependent kinase 2Homo sapiens (human)
chromatin remodelingCyclin-dependent kinase 2Homo sapiens (human)
DNA-templated transcriptionCyclin-dependent kinase 2Homo sapiens (human)
protein phosphorylationCyclin-dependent kinase 2Homo sapiens (human)
potassium ion transportCyclin-dependent kinase 2Homo sapiens (human)
centriole replicationCyclin-dependent kinase 2Homo sapiens (human)
Ras protein signal transductionCyclin-dependent kinase 2Homo sapiens (human)
regulation of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of cell population proliferationCyclin-dependent kinase 2Homo sapiens (human)
peptidyl-serine phosphorylationCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of heterochromatin formationCyclin-dependent kinase 2Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of DNA-templated DNA replication initiationCyclin-dependent kinase 2Homo sapiens (human)
telomere maintenance in response to DNA damageCyclin-dependent kinase 2Homo sapiens (human)
post-translational protein modificationCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of DNA replicationCyclin-dependent kinase 2Homo sapiens (human)
positive regulation of DNA-templated transcriptionCyclin-dependent kinase 2Homo sapiens (human)
centrosome duplicationCyclin-dependent kinase 2Homo sapiens (human)
cell divisionCyclin-dependent kinase 2Homo sapiens (human)
meiotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
cellular response to nitric oxideCyclin-dependent kinase 2Homo sapiens (human)
cellular senescenceCyclin-dependent kinase 2Homo sapiens (human)
regulation of anaphase-promoting complex-dependent catabolic processCyclin-dependent kinase 2Homo sapiens (human)
regulation of G2/M transition of mitotic cell cycleCyclin-dependent kinase 2Homo sapiens (human)
signal transductionCyclin-dependent kinase 2Homo sapiens (human)
regulation of gene expressionCyclin-dependent kinase 2Homo sapiens (human)
response to organic substanceCyclin-dependent kinase 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
histone kinase activityCyclin-dependent kinase 2Homo sapiens (human)
magnesium ion bindingCyclin-dependent kinase 2Homo sapiens (human)
protein serine/threonine kinase activityCyclin-dependent kinase 2Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activityCyclin-dependent kinase 2Homo sapiens (human)
protein bindingCyclin-dependent kinase 2Homo sapiens (human)
ATP bindingCyclin-dependent kinase 2Homo sapiens (human)
protein domain specific bindingCyclin-dependent kinase 2Homo sapiens (human)
cyclin bindingCyclin-dependent kinase 2Homo sapiens (human)
cyclin-dependent protein kinase activityCyclin-dependent kinase 2Homo sapiens (human)
protein serine kinase activityCyclin-dependent kinase 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (20)

Processvia Protein(s)Taxonomy
plasma membraneGamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)
chromosome, telomeric regionCyclin-dependent kinase 2Homo sapiens (human)
condensed chromosomeCyclin-dependent kinase 2Homo sapiens (human)
X chromosomeCyclin-dependent kinase 2Homo sapiens (human)
Y chromosomeCyclin-dependent kinase 2Homo sapiens (human)
male germ cell nucleusCyclin-dependent kinase 2Homo sapiens (human)
nucleusCyclin-dependent kinase 2Homo sapiens (human)
nuclear envelopeCyclin-dependent kinase 2Homo sapiens (human)
nucleoplasmCyclin-dependent kinase 2Homo sapiens (human)
cytoplasmCyclin-dependent kinase 2Homo sapiens (human)
endosomeCyclin-dependent kinase 2Homo sapiens (human)
centrosomeCyclin-dependent kinase 2Homo sapiens (human)
cytosolCyclin-dependent kinase 2Homo sapiens (human)
Cajal bodyCyclin-dependent kinase 2Homo sapiens (human)
cyclin A1-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin A2-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin E1-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin E2-CDK2 complexCyclin-dependent kinase 2Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complexCyclin-dependent kinase 2Homo sapiens (human)
transcription regulator complexCyclin-dependent kinase 2Homo sapiens (human)
cytoplasmCyclin-dependent kinase 2Homo sapiens (human)
nucleusCyclin-dependent kinase 2Homo sapiens (human)
plasma membraneGamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)
plasma membraneGamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (45)

Assay IDTitleYearJournalArticle
AID1745849Viability Counterscreen for CMV-Luciferase Assay of Inhibitors of ATXN expression
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 13Microsphere-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
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
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1745847CMV-Luciferase Counterscreen for Inhibitors of ATXN expression
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-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
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
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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 13Microsphere-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
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
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745846Firefly Luciferase Counterscreen for Inhibitors of ATXN expression
AID1745848Confirmatory qHTS for Inhibitors of ATXN expression
AID1745850Viability Counterscreen for Confirmatory qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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
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
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1224817Assays to identify small molecules inhibitory for eIF4E expression2015Chemistry & biology, Jul-23, Volume: 22, Issue:7
Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID344455Antispasmodic activity in guinea pig ileum assessed as inhibition of acetylcholine-induced smooth muscle contraction2008Journal of natural products, Jul, Volume: 71, Issue:7
Chemical constituents of Aristolochia constricta: antispasmodic effects of its constituents in guinea-pig ileum and isolation of a diterpeno-lignan hybrid.
AID977599Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID697852Inhibition of electric eel AChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID697853Inhibition of horse BChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID457612Inhibition of CDK2 at 50 uM2010Bioorganic & medicinal chemistry letters, Feb-15, Volume: 20, Issue:4
Semi-synthetic aristolactams--inhibitors of CDK2 enzyme.
AID247402Growth inhibitory activity against human cancer cell line in the NCI's anticancer drug screening program2005Journal of medicinal chemistry, Mar-10, Volume: 48, Issue:5
CHMIS-C: a comprehensive herbal medicine information system for cancer.
AID578749Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB-induced elastase release after 5 mins2011Bioorganic & medicinal chemistry letters, Mar-15, Volume: 21, Issue:6
A novel alkaloid, aristopyridinone A and anti-inflammatory phenanthrenes isolated from Aristolochia manshuriensis.
AID578748Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB-induced superoxide anion generation after 5 mins2011Bioorganic & medicinal chemistry letters, Mar-15, Volume: 21, Issue:6
A novel alkaloid, aristopyridinone A and anti-inflammatory phenanthrenes isolated from Aristolochia manshuriensis.
AID678071Mutagenicity in Salmonella typhimurium TA1002012Journal of natural products, Jul-27, Volume: 75, Issue:7
Aristoxazole analogues. Conversion of 8-nitro-1-naphthoic acid to 2-methylnaphtho[1,2-d]oxazole-9-carboxylic acid: comments on the chemical mechanism of formation of DNA adducts by the aristolochic acids.
AID398939Toxicity in Sprague-Dawley rat at 40 mg/kg
AID344454Antispasmodic activity in guinea pig ileum assessed as inhibition of electrically-induced smooth muscle contraction2008Journal of natural products, Jul, Volume: 71, Issue:7
Chemical constituents of Aristolochia constricta: antispasmodic effects of its constituents in guinea-pig ileum and isolation of a diterpeno-lignan hybrid.
AID977602Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID457604Inhibition of CDK22010Bioorganic & medicinal chemistry letters, Feb-15, Volume: 20, Issue:4
Semi-synthetic aristolactams--inhibitors of CDK2 enzyme.
AID398946Antifertility effect in Sprague-Dawley rat assessed as number of pregnant animals at 10 mg/kg administered postcoitally for 1 to 10 days
AID398940Toxicity in golden syrian hamster at 25 mg/kg
AID398941Antifertility effect in Sprague-Dawley rat assessed as number of pregnant animals at 40 mg/kg, po administered postcoitally for 1 to 10 days
AID1506511Cytotoxicity in HEK293 cells assessed as reduction in cell survival incubated for 48 hrs by MTT assay2017MedChemComm, Feb-01, Volume: 8, Issue:2
Synthesis, characterization, solubilization, cytotoxicity and antioxidant activity of aminomethylated dihydroquercetin.
AID227700Anticonvulsant activity2003Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16
Topological virtual screening: a way to find new anticonvulsant drugs from chemical diversity.
AID678072Drug conversion assessed as formation of oxazole derivatives in presence of Zn/HOAc2012Journal of natural products, Jul-27, Volume: 75, Issue:7
Aristoxazole analogues. Conversion of 8-nitro-1-naphthoic acid to 2-methylnaphtho[1,2-d]oxazole-9-carboxylic acid: comments on the chemical mechanism of formation of DNA adducts by the aristolochic acids.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
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
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (1,064)

TimeframeStudies, This Drug (%)All Drugs %
pre-199057 (5.36)18.7374
1990's78 (7.33)18.2507
2000's327 (30.73)29.6817
2010's448 (42.11)24.3611
2020's154 (14.47)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials2 (0.18%)5.53%
Reviews71 (6.53%)6.00%
Case Studies31 (2.85%)4.05%
Observational2 (0.18%)0.25%
Other982 (90.26%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
aristolic acid[no description available]medium30
savinin[no description available]medium10benzodioxoles;
gamma-lactone;
lignan		anti-inflammatory agent;
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite;
T-cell proliferation inhibitor
pyrrolidonecarboxylic acid[no description available]medium10oxoproline;
pyrrolidin-2-ones;
pyrrolidinemonocarboxylic acid		human metabolite
pipecolic acid[no description available]medium10piperidinemonocarboxylic acid
acetanilide[no description available]medium10acetamides;
anilide		analgesic
phenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
salophen[no description available]medium10carbonyl compound
Acetylpheneturide[no description available]medium10organic molecular entity
albendazole[no description available]medium10aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
4-amino-3-hydroxybutyric acid[no description available]medium103-hydroxy monocarboxylic acid;
amino acid zwitterion;
gamma-amino acid
amlexanox[no description available]medium10monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
amlodipine[no description available]medium10dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
arecoline[no description available]medium10enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
arotinolol[no description available]medium10aromatic amide;
thiophenes
atenolol[no description available]medium10ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
benzocaine[no description available]medium10benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
biperiden[no description available]medium10piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bupivacaine[no description available]medium10aromatic amide;
piperidinecarboxamide;
tertiary amino compound
verapamil[no description available]medium30aromatic ether;
nitrile;
polyether;
tertiary amino compound
cannabinol[no description available]medium10dibenzopyran
carbamazepine[no description available]medium10dibenzoazepine;
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
carbetapentane[no description available]medium10benzenes
clobazam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
clonazepam[no description available]medium101,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
cycloleucine[no description available]medium10non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyclothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
dimethadione[no description available]medium10oxazolidinone
valproic acid[no description available]medium10branched-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
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethotoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium10dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
gabapentin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
glutethimide[no description available]medium10piperidines
guvacine[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		GABA reuptake inhibitor;
plant metabolite
ifosfamide[no description available]medium10ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
iproniazid[no description available]medium10carbohydrazide;
pyridines
lamotrigine[no description available]medium101,2,4-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
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
metharbital[no description available]medium10organic molecular entity
moclobemide[no description available]medium10benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
acecainide[no description available]medium10acetamides;
benzamides		anti-arrhythmia drug
deoxyepinephrine[no description available]medium10catecholamine
nicardipine[no description available]medium10benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]medium10C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nimetazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nimodipine[no description available]medium102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nipecotic acid[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid
nisoldipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrendipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
phenacemide[no description available]medium10acetamides
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
riluzole[no description available]medium10benzothiazoles
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulthiame[no description available]medium10organic molecular entity
trimethadione[no description available]medium10oxazolidinoneanticonvulsant;
geroprotector
vigabatrin[no description available]medium10gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
zonisamide[no description available]medium101,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
prednisolone[no description available]medium6011beta-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
prednisolone[no description available]medium6111beta-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
carbachol[no description available]medium40ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
metaraminol[no description available]medium10phenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
desoxycorticosterone acetate[no description available]medium10corticosteroid hormone
physostigmine[no description available]medium20carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
phencyclidine[no description available]medium10benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
caramiphen[no description available]medium10benzenes
methsuximide[no description available]medium10organic molecular entity
phthalimide[no description available]medium10phthalimides
phensuximide[no description available]medium10pyrrolidines
amido-g-acid[no description available]medium10
cyclopentamine[no description available]medium10secondary amino compound
caprolactam[no description available]medium10caprolactamshuman blood serum metabolite
mephobarbital[no description available]medium10barbituratesanticonvulsant
paramethadione[no description available]medium10oxazolidinoneanticonvulsant
cyclopentanone[no description available]medium10cyclopentanonesMaillard reaction product
benactyzine[no description available]medium10diarylmethane
phetharbital[no description available]medium10barbiturates
prenylamine[no description available]medium10diarylmethane
beclamide[no description available]medium10benzenes
chlormethiazole[no description available]medium10thiazoles
glybuthiazol[no description available]medium10benzenes;
sulfonamide
pronarcon[no description available]medium10barbiturates
improsan[no description available]medium10organosulfonic ester
iproclozide[no description available]medium10aromatic ether
aminopentamide[no description available]medium10diarylmethane
benomyl[no description available]medium10aromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator
alclofenac[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
carticaine[no description available]medium10thiophenecarboxylic acid
amoscanate[no description available]medium10C-nitro compound;
isothiocyanate;
secondary amino compound		schistosomicide drug
amoxicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
eterobarb[no description available]medium10barbiturates
adinazolam[no description available]medium10triazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative
diltiazem[no description available]medium105-[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
progabide[no description available]medium10diarylmethane
lidamidine[no description available]medium10ureas
acifran[no description available]medium10
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
adenosine[no description available]medium20adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
d-lactic acid[no description available]medium102-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
heptenophos[no description available]medium10organochlorine compound;
organophosphate insecticide;
trialkyl phosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
trihexyphenidyl hydrochloride[no description available]medium10aralkylamine
g 29505[no description available]medium10methoxybenzenes
acefylline[no description available]medium10oxopurine
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
aceclofenac[no description available]medium10amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
amphotalide[no description available]medium10phthalimides
fluoresone[no description available]medium10sulfonamide
alacepril[no description available]medium10dipeptide;
thioacetate ester		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
agroclavine[no description available]medium10ergot alkaloid
n-(hydroxymethyl)nicotinamide[no description available]medium10pyridinecarboxamide
proline[no description available]medium10amino 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
camphora[no description available]medium10camphor
tevenel[no description available]medium10sulfonamide
fluoracizine[no description available]medium10phenothiazines
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
arbutin[no description available]medium20beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
cannabidiol[no description available]medium10olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
cinromide[no description available]medium10cinnamamides;
secondary carboxamide
flunarizine[no description available]medium10diarylmethane
benztropine[no description available]medium10diarylmethane
albutoin[no description available]medium10organonitrogen compound;
organooxygen compound
adrafinil[no description available]medium10diarylmethane
linoleic acid[no description available]medium10octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
gemeprost[no description available]medium10aliphatic alcohol
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
furazolidone[no description available]medium10
zr-512[no description available]medium10ethyl ester;
farnesane sesquiterpenoid		juvenile hormone mimic
nidroxyzone[no description available]medium10C-nitro compound;
furans
azimilide[no description available]medium10imidazolidine-2,4-dione
scopolamine hydrobromide[no description available]medium10
imidacloprid[no description available]medium10imidacloprid;
imidazolidines;
monochloropyridine		environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
emodin[no description available]medium40trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
colchicine[no description available]medium20alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
podophyllotoxin[no description available]medium20furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
camptothecin[no description available]medium20delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
nitidine chloride[no description available]medium10
paclitaxel[no description available]medium20taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
chelerythrine chloride[no description available]medium20
coptisine[no description available]medium10alkaloidmetabolite
narciclasine[no description available]medium10phenanthridinesmetabolite
tetrandrine[no description available]medium80bisbenzylisoquinoline alkaloid;
isoquinolines
eburicoic acid[no description available]medium10
homoharringtonine[no description available]medium10alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
oleic acid[no description available]medium10octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
apigetrin[no description available]medium10beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
ellagic acid[no description available]medium30catechols;
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
cubebin[no description available]medium20benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol		analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug
pluviatolide[no description available]medium10aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols		plant metabolite
dihydrocubebin[no description available]medium10benzodioxoles;
butanediols;
glycol;
lignan
hinokinin[no description available]medium10benzodioxoles;
gamma-lactone;
lignan		trypanocidal drug
isocorydine[no description available]medium10aporphine alkaloid
corydine[no description available]medium10
canadine[no description available]medium20aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
aristolactam i[no description available]medium140
dicentrine[no description available]medium10aporphine alkaloid
aristolochic acid ii[no description available]high450aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
corytuberine[no description available]medium10aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite
stephanine[no description available]medium10
aristolochic acid D[no description available]high40aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
aristolochic acid c[no description available]high40aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
salutaridine[no description available]medium10morphinane alkaloidanti-HBV agent;
metabolite
sinomenine[no description available]medium20morphinane alkaloid
aristolactam aiiia[no description available]medium20
genistein[no description available]medium207-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
4-aminophenol[no description available]medium10aminophenolallergen;
metabolite
indoleacetic acid[no description available]medium10indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
melatonin[no description available]medium20acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
epibatidine[no description available]medium10alkaloid
5-methoxypsoralen[no description available]medium105-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone[no description available]medium101,4-benzoquinonescofactor
3,3'-diindolylmethane[no description available]medium10indolesantineoplastic agent;
P450 inhibitor
ellipticine[no description available]medium20indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
embelin[no description available]medium10dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
gossypol[no description available]medium10
hypericin[no description available]medium20
indole-3-carbinol[no description available]medium10indolyl alcoholantineoplastic agent;
plant metabolite
nsc 664704[no description available]medium20indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
khellin[no description available]medium20furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
kinetin[no description available]medium106-aminopurines;
furans		cytokinin;
geroprotector
beta-lapachone[no description available]medium20benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
lavendustin a[no description available]medium10aromatic amine
lavendustin b[no description available]medium10
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
methoxsalen[no description available]medium20aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
myristicin[no description available]medium10organic molecular entitymetabolite
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
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[no description available]medium10isoquinolines
patulin[no description available]medium10furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
phloretin[no description available]medium10dihydrochalconesantineoplastic agent;
plant metabolite
sanguinarine[no description available]medium10alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent
streptonigrin[no description available]medium10pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
tetrahydropapaverine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound
theobromine[no description available]medium10dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
trioxsalen[no description available]medium10psoralensdermatologic drug;
photosensitizing agent
mitomycin[no description available]medium20mitomycinalkylating agent;
antineoplastic agent
reserpine[no description available]medium10alkaloid 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
pilocarpine hydrochloride[no description available]medium20hydrochloride
cantharidin[no description available]medium10cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
veratramine[no description available]medium20piperidine alkaloid
phlorhizin[no description available]medium10aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite
papaverine hydrochloride[no description available]medium10
yohimbine hydrochloride[no description available]medium10
cycloheximide[no description available]medium80antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
gliotoxin[no description available]medium10dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor
tubercidin[no description available]medium10antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
veratridine[no description available]medium10steroidsodium channel modulator
gibberellic acid[no description available]medium20C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite
visnagin[no description available]medium10aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent
rotenone[no description available]medium20organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
skimmianine[no description available]medium10alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
syrosingopine[no description available]medium10yohimban alkaloid
gramine[no description available]medium10aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
methylergonovine[no description available]medium10ergoline alkaloid
2,2'-methylenebis(4-methyl-6-tert-butylphenol)[no description available]medium10diarylmethane
indolebutyric acid[no description available]medium10indol-3-yl carboxylic acidauxin;
plant hormone;
plant metabolite
shikimic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
monocrotaline[no description available]medium10pyrrolizidine alkaloid
jervine[no description available]medium20piperidines
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
boldine[no description available]medium10aporphine alkaloid
indirubin[no description available]medium10
plumbagin[no description available]medium10hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
cepharanthine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
aloe emodin[no description available]medium10aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
osthol[no description available]medium10botanical anti-fungal agent;
coumarins		metabolite
cytisine[no description available]medium10alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
bicuculline[no description available]medium20benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
kainic acid[no description available]medium20dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist
thymoquinone[no description available]medium101,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
oleanolic acid[no description available]medium30hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
azomycin[no description available]medium20C-nitro compound;
imidazoles		antitubercular agent
Berberine chloride (TN)[no description available]medium10organic molecular entity
vincamine[no description available]medium10alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent
muscarine[no description available]medium10
ecdysone[no description available]medium1014alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid		prohormone
n-deacetyl-n-formylcolchicine[no description available]medium10cyclic ketone
tetradecanoylphorbol acetate[no description available]medium50acetate 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
2-bromoergocryptine mesylate[no description available]medium10methanesulfonate saltantiparkinson drug
zingerone[no description available]medium10methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
phorbol 12,13-dibutyrate[no description available]medium20butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
quisqualic acid[no description available]medium20non-proteinogenic alpha-amino acid
colforsin[no description available]medium20acetate 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
swainsonine[no description available]medium10indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
castanospermine[no description available]medium10indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
daunorubicin hydrochloride[no description available]medium10anthracycline
mevastatin[no description available]medium102-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
ursolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
norharman[no description available]medium10beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
betulinic acid[no description available]medium20hydroxy 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
epigallocatechin gallate[no description available]medium10flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
baccatin iii[no description available]medium10acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite
taleranol[no description available]medium10macrolide
narasin[no description available]medium10diterpene glycoside
quassin[no description available]medium10triterpenoid
tomatidine[no description available]medium103beta-hydroxy steroid;
azaspiro compound;
oxaspiro compound
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
rutecarpine[no description available]medium10beta-carbolines
bergenin[no description available]medium10trihydroxybenzoic acidmetabolite
pinocembrin[no description available]medium10(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
isoscopoletin[no description available]medium10aromatic ether;
hydroxycoumarin		plant metabolite
vinburnine[no description available]medium20alkaloid
epicatechin[no description available]medium10catechin;
polyphenol		antioxidant
hesperetin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite
magnolol[no description available]medium20biphenyls
honokiol[no description available]medium20biphenyls
betulin[no description available]medium10diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
tetrahydroalstonine[no description available]medium10methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid		plant metabolite
hernandezine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
picropodophyllin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
dehydrocostus lactone[no description available]medium10gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug
madecassic acid[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite
panaxadiol[no description available]medium10triterpenoid saponin
tryptanthrine[no description available]medium10alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
homoeriodictyol[no description available]medium103'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite
4-hydroxyindole[no description available]medium10hydroxyindoles;
phenols
eriocitrin[no description available]medium103'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone		antioxidant
7,8-dihydromethysticin[no description available]medium102-pyranones;
aromatic ether
nicotine[no description available]medium203-(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
cinchonine[no description available]medium20(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
aucubin[no description available]medium10organic molecular entitymetabolite
lupinine[no description available]medium10quinolizidine alkaloid
matrine[no description available]medium10alkaloid
friedelin[no description available]medium10cyclic terpene ketone;
pentacyclic triterpenoid		anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite
catalpol[no description available]medium10organic molecular entitymetabolite
quinine hydrochloride[no description available]medium10
sarsasapogenin[no description available]medium10sapogenin
corynanthine[no description available]medium10yohimban alkaloid
prunin protein, prunus[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite
podocarpic acid[no description available]medium10abietane diterpenoid
harmol hydrochloride[no description available]medium10
5-Methoxyflavone[no description available]medium10ether;
flavonoids
10-hydroxycamptothecin[no description available]medium10pyranoindolizinoquinoline
corydaline[no description available]medium10isoquinoline alkaloid;
isoquinolines
demissidine[no description available]medium10alkaloid;
organic heteropolycyclic compound;
steroid
cinchonidine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
propidium iodide[no description available]medium10organic iodide salt
tryptoline[no description available]medium10beta-carbolines
deguelin[no description available]medium10aromatic 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
catechin[no description available]medium10hydrategeroprotector
daidzin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite
cafestol[no description available]medium10diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite
parthenolide[no description available]medium10germacranolide
homoorientin[no description available]medium10flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger
asiatic acid[no description available]high10monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
angustmycin a[no description available]medium106-aminopurines
razadyne[no description available]medium10
phytosphingosine[no description available]medium10amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate[no description available]medium10
celastrol[no description available]high10monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
4'-demethylepipodophyllotoxin[no description available]medium10furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium10leucine derivative
e 64[no description available]medium10dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor
sinensetin[no description available]medium10pentamethoxyflavoneplant metabolite
harmalol hydrochloride[no description available]medium10
hyoscyamine[no description available]medium10tropane alkaloid
schizandrin a[no description available]medium10
schizandrin b[no description available]medium10aromatic 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
cryptotanshinone[no description available]medium10abietane diterpenoidanticoronaviral agent
isosakuranetin[no description available]medium10(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite
isovitexin[no description available]medium10C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
sclareol[no description available]medium10labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite
tanshinone ii a[no description available]medium10abietane diterpenoid
leucodin[no description available]medium10sesquiterpene lactone
limonin[no description available]medium10epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
maduramicin[no description available]medium10
chelidonine[no description available]medium10alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
troleandomycin[no description available]medium10acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
santonin[no description available]medium10botanical anti-fungal agent;
santonin		plant metabolite
sitosterol, (3beta)-isomer[no description available]medium203beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
vincristine sulfate[no description available]medium10organic sulfate saltantineoplastic agent;
geroprotector
anisomycin[no description available]medium10monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
acetylstrophanthidin[no description available]medium10acetate esteranti-arrhythmia drug
Harringtonine[no description available]medium10alkaloid
acivicin[no description available]medium10isoxazoles;
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
ketopinic acid[no description available]medium10
wortmannin[no description available]medium40acetate 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
gitoxigenin[no description available]medium2014beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid
graveoline[no description available]medium10quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en[no description available]medium10
naringenin[no description available]medium10(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
ouabain[no description available]medium1011alpha-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
puromycin[no description available]medium20puromycinsantiinfective 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
taxifolin[no description available]medium20taxifolinmetabolite
mimosine[no description available]medium104-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
eriodictyol[no description available]medium103'-hydroxyflavanones;
tetrahydroxyflavanone
quinidine[no description available]medium20cinchona 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
conessine[no description available]medium10steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
hyperforin[no description available]medium10
deltaline[no description available]medium10acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound
ingenol[no description available]medium10cyclic terpene ketone;
tetracyclic diterpenoid
picrotin[no description available]medium10diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite
picrotoxinin[no description available]medium10epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist
naringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
isonaringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite
ochratoxin a[no description available]medium140isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent
gingerol[no description available]medium10beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite
securinine[no description available]medium10indolizines
Dubinidine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
doxorubicin hydrochloride[no description available]medium10anthracycline
vinpocetine[no description available]medium10alkaloidgeroprotector
dihydroergocristine monomesylate[no description available]medium10methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
tretinoin[no description available]medium30retinoic 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
resveratrol[no description available]medium20resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
ferulic acid[no description available]medium10ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
thapsigargin[no description available]medium80butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
mycophenolic acid[no description available]medium102-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
alitretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
L-cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
12-deoxyphorbol 13-acetate[no description available]medium10phorbol estermetabolite
dactinomycin[no description available]medium30actinomycinmutagen
aphidicolin[no description available]medium10tetracyclic 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
(+)-usnic acid[no description available]medium10usnic acid
beta, beta-dimethylacrylshikonin, (+)-isomer[no description available]medium10hydroxy-1,4-naphthoquinone
shikonin[no description available]medium10hydroxy-1,4-naphthoquinone
rhapontin[no description available]medium10rhaponticinangiogenesis 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
piperine[no description available]medium10benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
rauwolscine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylate
amygdalin[no description available]medium10amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
hydrastine, (r-(r*,s*))-isomer[no description available]medium10isoquinolines
vasicine[no description available]medium10
3,3',4,5'-tetrahydroxystilbene[no description available]medium10catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
caffeic acid[no description available]medium10caffeic acidgeroprotector;
mouse metabolite
cotinine[no description available]medium20N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
heliotrine[no description available]medium10pyrrolizines
sclareolide[no description available]medium10naphthofuran
hypocrellin b[no description available]medium10
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
aurapten[no description available]medium10coumarins;
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
chlorogenic acid[no description available]medium10cinnamate ester;
tannin		food component;
plant metabolite
fumonisin b2[no description available]medium10diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
valinomycin[no description available]medium10cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
orlistat[no description available]medium10beta-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
12-deoxyphorbolphenylacetate-20-acetate[no description available]medium10
brassinin[no description available]medium10dithiocarbamic ester;
indole phytoalexin
chaetomellic acid a[no description available]medium10
hirsutine[no description available]medium10
3-deoxyvasicine, hydrochloride[no description available]medium10
emetine dihydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor
salinomycin[no description available]medium10polyketide;
spiroketal		animal growth promotant;
potassium ionophore
silybin[no description available]medium10
5,6-dehydrokawain[no description available]medium102-pyranones;
aromatic ether
9,10-dihydrolysergol[no description available]medium10
geranylgeranic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
diterpenoid;
methyl-branched fatty acid;
trienoic fatty acid
quercetin[no description available]medium307-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
dinoprostone[no description available]medium110prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
dinoprost[no description available]medium80monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
formononetin[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant metabolite
prostaglandin b1[no description available]medium20prostaglandins Bhuman metabolite
sterigmatocystin[no description available]medium10sterigmatocystinsmetabolite
vitexin[no description available]medium10C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
acacetin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite
apigenin[no description available]medium10trihydroxyflavoneantineoplastic agent;
metabolite
luteolin[no description available]medium103'-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
quercitrin[no description available]medium10alpha-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
scopoletin[no description available]medium10hydroxycoumarinplant growth regulator;
plant metabolite
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
alprostadil[no description available]medium30prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
quercetin 3-o-glucopyranoside[no description available]medium10beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
rutin[no description available]medium10disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
kaempferol[no description available]medium107-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
senecionine[no description available]medium10lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
butein[no description available]medium10chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
sulfuretin[no description available]medium101-benzofurans
genistin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside
chartreusin[no description available]medium10benzochromenone;
glycoside
methysticin[no description available]medium102-pyranones;
aromatic ether
yangonin[no description available]medium102-pyranones;
aromatic ether
zearalenone[no description available]medium10macrolide;
resorcinols		fungal metabolite;
mycoestrogen
baicalein[no description available]medium10trihydroxyflavoneangiogenesis 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
chrysin[no description available]medium107-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
datiscetin[no description available]medium107-hydroxyflavonol;
tetrahydroxyflavone
diosmetin[no description available]medium103'-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
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
fisetin[no description available]medium103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
galangin[no description available]medium107-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
3-methylquercetin[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
morin[no description available]medium107-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
myricetin[no description available]medium107-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
rhamnetin[no description available]medium10monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite
robinetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		plant metabolite
tamarixetin[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite
wogonin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
coumestrol[no description available]medium20coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite
daidzein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
caffeic acid phenethyl ester[no description available]medium20alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
rosmarinic acid[no description available]medium10rosmarinic acidgeroprotector;
plant metabolite
wedelolactone[no description available]high10aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite
rottlerin[no description available]medium20aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
7-hydroxyflavone[no description available]medium10hydroxyflavonoid
prostaglandin a1[no description available]medium10prostaglandins A
cerulenin[no description available]medium10epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
rhoifolin[no description available]medium10dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite
vitexin rhamnoside[no description available]medium10C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone		plant metabolite
domoic acid[no description available]medium10L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
cyclosporine[no description available]medium10homodetic 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
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
sirolimus[no description available]medium30antibiotic 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
brefeldin a[no description available]medium10macrolide antibioticPenicillium metabolite
cytochalasin b[no description available]medium20cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
bisdemethoxycurcumin[no description available]medium10beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
andrographolide[no description available]medium10carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
isorhamnetin 3-o-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
6,7-dihydroxyflavone[no description available]medium10
flavokawain a[no description available]medium10chalcones
flavokawain b[no description available]medium10chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
kavain[no description available]medium10racemateglycine receptor antagonist
abscisic acid, (+,-)-isomer[no description available]medium10abscisic acidsabscisic acid receptor agonist
veratrine[no description available]medium10alkaloid
vinblastine sulfate[no description available]medium10
catharanthine[no description available]medium10alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
cytochalasin e[no description available]medium10cytochalasan alkaloidmetabolite
cytochalasin d[no description available]medium10
ecdysterone[no description available]medium2014alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
bakuchiol[no description available]medium10
zerumbone[no description available]medium10cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite
solanesol[no description available]medium10nonaprenol;
primary alcohol		plant metabolite
(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[no description available]medium10yohimban alkaloid
n-caproylsphingosine[no description available]medium10N-acylsphingosine
monorden[no description available]medium10cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor
ginkgolide b[no description available]medium10
homatropine hydrobromide, (endo-(+-)-isomer)[no description available]medium10
hydrocotarnine hydrobromide[no description available]medium10
salsolinol hydrobromide[no description available]medium10
lasalocid sodium[no description available]medium10benzoates;
organic sodium salt		coccidiostat;
ionophore
sclerotiorin[no description available]medium10azaphilone
himbacine[no description available]medium10gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid		muscarinic antagonist
ebelactone b[no description available]medium10
3-o-methylbutein[no description available]medium10chalcones
thermozymocidin[no description available]medium10alpha-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
marein[no description available]medium10flavonoids;
glycoside
hydroxyachillin[no description available]medium10gamma-lactone
butylscopolammonium bromide[no description available]medium10
fumagillin[no description available]medium10antibiotic 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
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
anisodamine[no description available]medium10
bufalin[no description available]medium1014beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug
alpha-solanine[no description available]medium10glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
apigenin-7-o-rutinoside[no description available]medium10
gambogic acid[no description available]medium10pyranoxanthonesmetabolite
bn 52020[no description available]medium10
carmine[no description available]medium10C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye
bavachinin[no description available]medium10flavanones
grayanotoxin iii[no description available]medium10
Dihydrotanshinone I[no description available]medium10abietane diterpenoidanticoronaviral agent
calcimycin[no description available]medium70benzoxazole
cinobufagin[no description available]medium10steroid lactone
atropine sulfate[no description available]medium10
cannogenin thevetoside[no description available]medium10cardenolide glycoside
eriodictyol 7-O-beta-D-glucopyranoside[no description available]medium10beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger
hypocrellin a[no description available]medium10
dihydrorobinetin[no description available]medium10
monensin[no description available]medium10
minocycline[no description available]medium10
dicumarol[no description available]medium50hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
citrinin[no description available]medium20
vulpinic acid[no description available]medium10butenolide
ajmaline[no description available]medium10
rifampin[no description available]medium10cyclic 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
alpha-cyclopiazonic acid[no description available]medium10alpha-cyclopiazonic acids
2-(3-pyridine)acetic acid[no description available]medium10monocarboxylic acid;
pyridines		human xenobiotic metabolite
ureidosuccinic acid[no description available]medium10aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
arabinofuranosylcytosine triphosphate[no description available]medium10pyrimidine ribonucleoside monophosphate
aminoethylphosphonic acid[no description available]medium10phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite
gamma-guanidinobutyric acid[no description available]medium10guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
inositol[no description available]medium20cyclitol;
hexol
pentachlorophenol[no description available]medium20aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
phenylalanine[no description available]medium10alpha-amino acid;
aromatic amino acid		Daphnia magna metabolite
nsc-267703[no description available]medium10anthracycline
n-acetyltryptophan[no description available]medium10N-acetyl-amino acid;
tryptophan derivative		metabolite
tyrphostin ag957[no description available]medium10aromatic amine
2-amino-4-phosphonobutyric acid[no description available]medium10
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
benzylhydrochlorothiazide[no description available]medium10benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide
eucalyptol[no description available]medium10
amberlite cg 400[no description available]medium10methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
stallimycin[no description available]medium10
domperidone[no description available]medium20benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
glyphosate[no description available]medium10glycine derivative;
phosphonic acid		agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide
haloperidol[no description available]medium10aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
miltefosine[no description available]medium10phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
batyl alcohol[no description available]medium10alkylglycerol
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
2-amino-3-phosphonopropionic acid[no description available]medium10alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist
benzylsuccinic acid[no description available]medium10dicarboxylic acidbacterial xenobiotic metabolite
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
thiol
pentoxifylline[no description available]medium30oxopurine
phenolsulfonphthalein[no description available]medium102,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
Picrotin, analytical standard[no description available]medium10furopyran
pomiferin[no description available]medium10isoflavanones
pridinol[no description available]medium10piperidines;
tertiary alcohol		antiparkinson drug;
muscle relaxant
sulfaquinoxaline[no description available]medium10benzenes;
sulfonamide
suramin[no description available]medium10naphthalenesulfonic 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
4-methylglutamic acid[no description available]medium10amino dicarboxylic acid;
glutamic acid derivative
santowhite powder[no description available]medium10
fentichlor[no description available]medium10aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol		antiinfective agent;
drug allergen
pyrrolidonecarboxylic acid[no description available]medium105-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
hexadecanolide[no description available]medium10macrolide
pamoic acid[no description available]medium10dicarboxylic acid
carzenide[no description available]medium10sulfonamide
estradiol 17 beta-cypionate[no description available]medium10steroid ester
lithocholic acid[no description available]medium10bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
salicylurate[no description available]medium10N-acylglycine;
secondary carboxamide		human xenobiotic metabolite;
uremic toxin
3,5-pyridinedicarboxylic acid[no description available]medium10pyridinedicarboxylic acid
ricinine[no description available]medium10nitrile;
pyridine alkaloid;
pyridone
carinamide[no description available]medium10
3,5-dibromotyrosine[no description available]medium10monocarboxylic acid
hematoporphyrin[no description available]medium10
1H-indazol-3-amine[no description available]medium10indazoles
1,1'-methylenedi-2-naphthol[no description available]medium10
tricarballylic acid[no description available]medium10tricarboxylic acid
popop[no description available]medium101,3-oxazolesfluorochrome
2-tert-butylhydroquinone[no description available]medium10hydroquinonesfood antioxidant
7-hydroxychlorpromazine[no description available]medium10phenothiazines
cme-carbodiimide[no description available]medium10
cyclacillin[no description available]medium10penicillinantibacterial drug
strombine[no description available]medium10
thymolphthalein[no description available]medium10terpene lactone
1,4,5,8-naphthalenetetracarboxylic acid[no description available]medium10
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione[no description available]medium10anthracycline
hydroxyphenylazouracil[no description available]medium10
pimonidazole[no description available]medium10
flavone acetic acid[no description available]medium10
trichlorophene[no description available]medium10
verapamil hydrochloride[no description available]medium10
4-aminomethylbenzoic acid[no description available]medium10benzoic acids
cedrol[no description available]medium10cedrane sesquiterpenoid;
tertiary alcohol
propazole[no description available]medium10benzimidazoles
reserpic acid[no description available]medium10yohimban alkaloid
pifexole[no description available]medium10
Diphenolic acid[no description available]medium10bisphenol
Melicopidine[no description available]medium10acridines
resorufin[no description available]medium10phenoxazine
pacein[no description available]medium10
alantolactone[no description available]medium10naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide[no description available]medium10
stictic acid[no description available]medium10aromatic ether
gallocyanine[no description available]medium10
propylsulfonic acid[no description available]medium10
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide[no description available]medium10carbodiimide;
morpholines		cross-linking reagent
6,6'-dithiodinicotinic acid[no description available]medium10
va 061[no description available]medium10
n-acetyltyrosine, (dl)-isomer[no description available]medium10N-acetyl-amino acid;
phenols;
tyrosine derivative		human urinary metabolite
n(6)-(delta(2)-isopentenyl)adenine[no description available]medium106-isopentenylaminopurinecytokinin
2-Phthalimidoglutaricacid[no description available]medium10glutamic acid derivative
nsc-87877[no description available]medium10
methyl lithocholate[no description available]medium10
nipecotic acid amide[no description available]medium10piperidinecarboxamide
dimethacrine[no description available]medium10acridines
dehydroabietic acid[no description available]high10abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
4-deoxypyridoxine 5'-phosphate[no description available]medium10
4-(phenylthio)butanoic acid[no description available]medium20
bis-a-tda[no description available]medium10
1-amino-2-phenylethylphosphonic acid[no description available]medium10
4-fluoro-alpha-hydroxybenzeneacetic acid[no description available]medium10
Isopteropodin[no description available]medium10indolizines
benzpiperylone[no description available]medium10pyrazoles;
ring assembly
carboxyamido-triazole[no description available]medium10
nsc 607097[no description available]medium10
pacifenol[no description available]medium10
n-phenyliminodiacetic acid[no description available]medium10
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cystamine hydrochloride[no description available]medium10
dipiperidinoethane-di-n-oxide[no description available]medium10
benzyl-beta-d-xyloside[no description available]medium10
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid[no description available]medium10dicarboxylic acid
2,4-dinitrophenylacetic acid[no description available]medium10
(5-Phenyl-1,2,4-triazol-3-yl)urea[no description available]medium10benzenes
fumagillol[no description available]medium10secondary alcohol;
sesquiterpenoid;
spiro-epoxide		antimicrobial agent
vacquinol-1[no description available]medium10
aspidospermine[no description available]medium10indole alkaloid
guaiol[no description available]medium10guaiane sesquiterpenoid
benzatropine methanesulfonate[no description available]medium10
pseudoyohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58[no description available]medium10pyridines
nsc 88915[no description available]medium10
o-acetylsolasodine[no description available]medium10
viroallosecurinine[no description available]medium10indolizines
4-methyl-2-quinazolinamine[no description available]medium10
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid[no description available]medium10
adamantoylcytarabine[no description available]medium10
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester[no description available]medium10naphthalenes
noscapine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
LSM-1290[no description available]medium10benzazepine alkaloid;
cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone[no description available]medium10
nsc 154020[no description available]medium10N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid[no description available]medium102-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one[no description available]medium10cyclic ketone;
quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine[no description available]medium10benzodioxoles
croton factor f1[no description available]medium10phorbol ester;
tertiary alpha-hydroxy ketone
medicarpin[no description available]medium10medicarpinplant metabolite
aromoline[no description available]medium10
nsc668394[no description available]medium10
gant 61[no description available]medium10aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
nortriptyline hydrochloride[no description available]medium10organic tricyclic compoundgeroprotector
nsc 45641[no description available]medium10
geraniol[no description available]medium103,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
aconitic acid[no description available]medium10aconitic acidfundamental metabolite
amygdalin[no description available]medium10
alpha-phenylcinnamate[no description available]medium10
curcumin[no description available]high20aromatic 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
ethyldimethylaminopropyl carbodiimide[no description available]medium10
tamoxifen citrate[no description available]medium10citrate saltangiogenesis inhibitor;
anticoronaviral agent
eskazine[no description available]medium10
nsc 336628[no description available]medium10
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one[no description available]medium10oxopurine
cambinol[no description available]medium10
nsc 117199[no description available]medium10
mangostin[no description available]medium10aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
7,8-dimethylalloxazine[no description available]medium107,8-dimethylbenzo[g]pteridine-2,4-dioneplant metabolite
dihydrothobainone[no description available]medium10
piperic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles		plant metabolite
abscisic acid[no description available]medium10abscisic acids
radicinin[no description available]medium10aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid[no description available]medium10imidazopyrazine
hispanolone[no description available]medium10
veratridine[no description available]medium10
zimelidine hydrochloride[no description available]medium10
chlortetracycline hydrochloride[no description available]medium10
viridicatumtoxin[no description available]medium10
dacarbazine[no description available]medium10dacarbazine
hematein[no description available]medium10
ascorbic acid[no description available]medium30ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
sr 8278[no description available]medium10
thiophenes[no description available]medium20mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
gold[no description available]medium20copper group element atom;
elemental gold
transforming growth factor beta[no description available]medium140
phthalic acid[no description available]medium20benzenedicarboxylic acidhuman xenobiotic metabolite
phenol[no description available]medium10phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
procyanidin[no description available]medium10proanthocyanidin
silver[no description available]medium30copper group element atom;
elemental silver		Escherichia coli metabolite
skullcapflavone ii[no description available]medium10dihydroxyflavone;
tetramethoxyflavone		anti-asthmatic drug;
plant metabolite
vancomycin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
roxarsone[no description available]medium102-nitrophenols;
organoarsonic acid		agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat
carbon tetrachloride[no description available]medium20chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
lactic acid[no description available]medium302-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
pyruvaldehyde[no description available]medium402-oxo aldehyde;
propanals		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cysteine[no description available]medium40cysteiniumfundamental metabolite
arsenic[no description available]medium70metalloid atom;
pnictogen		micronutrient
diethylstilbestrol[no description available]medium10olefinic 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
phenacetin[no description available]medium30acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
indican[no description available]medium10beta-D-glucoside;
exopolysaccharide;
indolyl carbohydrate
4-cresol sulfate[no description available]medium10aryl sulfategut flora metabolite;
human metabolite;
uremic toxin
1,3-propane sultone[no description available]medium10sultone
chlorambucil[no description available]high10aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
thiotepa[no description available]medium10aziridines
melphalan[no description available]medium10L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
diosgenin[no description available]medium103beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite
panaxydol[no description available]medium10acetylenic compound;
epoxide;
olefinic compound
rhein[no description available]medium10dihydroxyanthraquinone
mdl 100907[no description available]medium10
lignans[no description available]medium200
sesamin[no description available]medium20benzodioxoles;
furofuran;
lignan		antineoplastic agent;
neuroprotective agent;
plant metabolite
4-biphenylamine[no description available]medium20aminobiphenylcarcinogenic agent
melamine[no description available]medium30triamino-1,3,5-triazinexenobiotic metabolite
folic acid[no description available]medium20folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
berberine[no description available]medium20alkaloid 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
adenine[no description available]medium506-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cytochrome c-t[no description available]medium20
arginine[no description available]medium10arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
vinyl chloride[no description available]medium10chloroethenes;
gas molecular entity;
monohaloethene		carcinogenic agent
morphinans[no description available]medium10isoquinoline alkaloid fundamental parent;
morphinane alkaloid
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
5-aza-2'-deoxycytidine-5'-monophosphate[no description available]medium10
chitosan[no description available]medium30
picrotoxin[no description available]medium10
picrotoxinin[no description available]medium10
beta-thujone[no description available]medium10beta-thujone
artemisinin[no description available]medium10organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite
benzo(a)pyrene[no description available]medium20ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
angiotensin ii[no description available]medium10amino acid zwitterion;
angiotensin II		human metabolite
choline[no description available]medium10cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
tetrachloroethylene[no description available]medium10chlorocarbon;
chloroethenes		nephrotoxic agent
fluorides[no description available]medium10halide anion;
monoatomic fluorine
trichloroethylene[no description available]medium10chloroethenesinhalation anaesthetic;
mouse metabolite
cadmium[no description available]medium40cadmium molecular entity;
zinc group element atom
losartan potassium[no description available]medium30
epoetin alfa[no description available]medium10
bardoxolone methyl[no description available]medium20cyclohexenones
zeolites[no description available]medium10
lead[no description available]medium30carbon group element atom;
elemental lead;
metal atom		neurotoxin
mercury[no description available]medium10elemental mercury;
zinc group element atom		neurotoxin
caffeine[no description available]medium60purine 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
hc 030031[no description available]medium10
tanshinone[no description available]medium10abietane diterpenoidanticoronaviral agent
prednisone[no description available]medium3011-oxo 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;
immunosuppressive agent;
prodrug
uric acid[no description available]medium30uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
uric acid[no description available]medium31uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
phenylthiourea[no description available]medium10thioureasEC 1.14.18.1 (tyrosinase) inhibitor
glucose, (beta-d)-isomer[no description available]medium130D-glucopyranoseepitope;
mouse metabolite
saccharin[no description available]medium201,2-benzisothiazole;
N-sulfonylcarboxamide		environmental contaminant;
sweetening agent;
xenobiotic
salicin[no description available]medium50aromatic 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
stearoylethanolamide[no description available]medium10N-acylethanolamine 18:0
chloroquine diphosphate[no description available]medium10
3-methyladenine[no description available]medium10
chloroquine[no description available]medium20aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
nitrobenzanthrone[no description available]medium30phenanthrenes
lysine[no description available]medium20aspartate 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
metformin[no description available]medium10guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
n(6)-carboxymethyllysine[no description available]medium20L-lysine derivative;
non-proteinogenic L-alpha-amino acid		antigen
riddelliine[no description available]medium10macrodiolide;
olefinic compound;
organic heterotricyclic compound;
pyrrolizine alkaloid		carcinogenic agent;
genotoxin;
mutagen
5-methylcytosine[no description available]medium10methylcytosine;
pyrimidines		human metabolite
cytosine[no description available]medium10aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
5-hydroxymethylcytosine[no description available]medium10aminopyrimidine;
aromatic primary alcohol;
nucleobase analogue;
pyrimidone		human metabolite;
mouse metabolite
benzoic acid[no description available]medium20benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
dinitrochlorobenzene[no description available]medium10C-nitro compound;
monochlorobenzenes		allergen;
epitope;
sensitiser
4-phenylenediamine[no description available]medium10phenylenediamineallergen;
dye;
hapten;
reagent
hyaluronoglucosaminidase[no description available]medium10
stilbenes[no description available]medium10stilbene
formaldehyde[no description available]medium40aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
acetic acid[no description available]medium50monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
ginsenosides[no description available]medium10
purine[no description available]medium10purine
endothelin-1[no description available]medium20
histamine[no description available]medium10aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
triptolide[no description available]medium20diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite
phenanthrenes[no description available]medium1881
phenanthrenes[no description available]medium1880
baicalin[no description available]medium10dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
quinacrine[no description available]medium110acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
framycetin[no description available]medium20aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
dehydroleucodine[no description available]medium10
u 73122[no description available]medium80aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
d 609[no description available]medium20
sesquiterpenes[no description available]medium90
muramidase[no description available]medium10
1,1-diphenyl-2-picrylhydrazyl[no description available]medium10
acetaminophen[no description available]medium20acetamides;
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
selenium[no description available]medium10chalcogen;
nonmetal atom		micronutrient
tryptophan[no description available]medium10erythrose 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
3-(6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2'-1,6)pyrido(3,4-b)indol-3-yl)propionic acid tert-butyl ester[no description available]medium10
verlukast[no description available]medium10
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
indomethacin[no description available]medium80aromatic 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
cyclosporine[no description available]medium50
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
lysophosphatidic acid[no description available]medium101-acyl-sn-glycerol 3-phosphate
lysophosphatidylglycerol[no description available]medium10a 3-acyl-sn-glycero-1-phospho-(1'-sn-glycerol)(1-)
isoxazoles[no description available]medium10isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
trans-4-coumaric acid[no description available]medium204-coumaric acidfood component;
mouse metabolite;
plant metabolite
tyramine[no description available]medium10monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
ethyl coumarate[no description available]medium10cinnamate ester
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide[no description available]medium10hydroxycinnamic acidmetabolite
monomethyl succinate[no description available]medium10dicarboxylic acid
3-hydroxybenzeneacetic acid[no description available]medium10monocarboxylic acid;
phenols		human xenobiotic metabolite
citric acid, anhydrous[no description available]medium30tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
nitrates[no description available]medium10monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
deoxyguanosine[no description available]medium50purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
methanol[no description available]medium50alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide[no description available]medium10benzamides;
benzodioxoles;
imidazoles;
pyridines		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2-naphthylamine[no description available]medium10naphthylaminecarcinogenic agent
6-bromoacetyl-2-dimethylaminonaphthalene[no description available]medium10
epidermal growth factor[no description available]medium10
paraquat[no description available]medium10organic cationgeroprotector;
herbicide
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt[no description available]medium10organic molecular entity
arachidic acid[no description available]medium10long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
transforming growth factor alpha[no description available]medium30
finasteride[no description available]medium103-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
p-aminohippuric acid[no description available]medium10N-acylglycineDaphnia magna metabolite
probenecid[no description available]medium30benzoic acids;
sulfonamide		uricosuric drug
bromodeoxyuridine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
beta-naphthoflavone[no description available]medium10extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
toluene[no description available]medium10methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
pifithrin[no description available]medium10aromatic ketone
cyclin d1[no description available]medium20
3-methylcholanthrene[no description available]medium30ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
lysophosphatidylcholines[no description available]medium401-O-acyl-sn-glycero-3-phosphocholine
gentamicin[no description available]medium20
oxazoles[no description available]medium201,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
carnitine[no description available]medium10amino-acid betainehuman metabolite;
mouse metabolite
leptin[no description available]medium10
fura-2[no description available]medium20
manganese[no description available]medium20elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient
protocatechuic acid[no description available]medium10catechols;
dihydroxybenzoic acid		antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite
4-hydroxybenzoic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
plant metabolite
gamma-sitosterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols		marine metabolite;
plant metabolite
cytellin[no description available]medium10
propylparaben[no description available]medium10benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
dapi[no description available]medium10indolesfluorochrome
l 663536[no description available]medium20aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
u 0126[no description available]medium20aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
2,4,6-trimethyl-n-(meta-3-trifluoromethylphenyl)benzenesulfonamide[no description available]medium10sulfonamide
nortriptyline[no description available]medium10organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ergosta-4,6,8(14),22-tetraen-3-one[no description available]medium103-oxo-Delta(4) steroid;
ergostanoid		fungal metabolite
methotrexate[no description available]medium10dicarboxylic 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
losartan[no description available]medium20biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
thiourea[no description available]medium10one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
4-phenylbutylamine[no description available]medium10benzenes;
phenylalkylamine;
primary amino compound
salubrinal[no description available]medium10aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas
2,2'-azobis(2-amidinopropane)[no description available]medium10monoazo compound
creatine[no description available]medium30glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
4-bromophenacyl bromide[no description available]medium60
4-nitro-3-(octanoyloxy)benzoic acid[no description available]medium10
urea[no description available]medium40isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
methionine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
phenylmethylsulfonyl fluoride[no description available]medium20acyl fluorideserine proteinase inhibitor
raffinose[no description available]medium10raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
lanthanide nitrate[no description available]medium10
lanthanum[no description available]medium10f-block element atom;
lanthanoid atom;
scandium group element atom
egtazic acid[no description available]medium20diether;
tertiary amino compound;
tetracarboxylic acid		chelator
arachidonic acid[no description available]medium270icosa-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
r 59022[no description available]medium10diarylmethane
thiazoles[no description available]medium201,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
pyrimidinones[no description available]medium10
dexfenfluramine[no description available]medium10fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
phosphorus radioisotopes[no description available]medium80
d-alpha tocopherol[no description available]medium10alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
calpain[no description available]medium10
allopurinol[no description available]medium40nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
st 638[no description available]medium10
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one[no description available]medium20chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
1-butanol[no description available]medium10alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
staurosporine[no description available]medium30ammonium ion derivative
n-formylmethionine leucyl-phenylalanine[no description available]medium40tripeptide
nitrites[no description available]medium10monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
pituitrin[no description available]medium10
guanosine triphosphate[no description available]medium10guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
ryanodine[no description available]medium10
inositol 1,4,5-trisphosphate[no description available]medium30myo-inositol trisphosphatemouse metabolite
isoproterenol[no description available]medium20catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
methacycline[no description available]medium101,2-diglyceride
8-bromo cyclic adenosine monophosphate[no description available]medium103',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound		antidepressant;
protein kinase agonist
1-oleoyl-2-acetylglycerol[no description available]medium201,2-diglyceride
u 73343[no description available]medium10
pulegone[no description available]medium10p-menth-4(8)-en-3-one
dimethyl sulfoxide[no description available]medium10sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
phenyl acetate[no description available]medium80benzenes;
phenyl acetates
phenidone[no description available]medium10
volicitin[no description available]medium10
alpha-linolenic acid[no description available]medium10linolenic acid;
omega-3 fatty acid		micronutrient;
mouse metabolite;
nutraceutical
1-aminocyclopropane-1-carboxylic acid[no description available]medium10amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid		ethylene releasers;
plant metabolite
indole[no description available]medium10indole;
polycyclic heteroarene		Escherichia coli metabolite
aspirin[no description available]medium10benzoic 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
methyl jasmonate[no description available]medium20
glutamine[no description available]medium10amino 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
n-linolenoyl-l-glutamine[no description available]medium10
cyclopentane[no description available]medium20cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
eudesmin[no description available]medium10
adenosine diphosphate[no description available]medium10adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite
cumene hydroperoxide[no description available]medium10peroxolenvironmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent
dibucaine[no description available]medium10aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
barium[no description available]medium20alkaline earth metal atom;
elemental barium
7-nitroindazole[no description available]medium20
n-(3-(aminomethyl)benzyl)acetamidine[no description available]medium10aralkylamine;
carboxamidine;
primary amino compound		angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector
sphingosine[no description available]medium20sphing-4-eninehuman metabolite;
mouse metabolite
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]medium10aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
interleukin-8[no description available]medium10
indazoles[no description available]medium20indazole
betadex[no description available]medium20cyclodextrin
histidine[no description available]medium10amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
lactisole[no description available]medium10
acetosulfame[no description available]medium10organic heteromonocyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
sulfamate ester		environmental contaminant;
sweetening agent;
xenobiotic
warfarin[no description available]medium30benzenes;
hydroxycoumarin;
methyl ketone
beta carotene[no description available]medium10carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
glycosides[no description available]medium60
alkenes[no description available]medium10
simvastatin[no description available]medium10delta-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
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
captopril[no description available]medium10alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
glycyrrhizic acid[no description available]medium20enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin		EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite
paxilline[no description available]medium10diterpene 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
iberiotoxin[no description available]medium10
phenylethyl alcohol[no description available]medium10benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
strontium[no description available]medium10alkaline earth metal atom
oxophenylarsine[no description available]medium10arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
carbamates[no description available]medium10amino-acid anion
bisindolylmaleimide i[no description available]medium10
1-hexadecyl-2-acetyl-glycero-3-phosphocholine[no description available]medium402-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent
ucn 1028 c[no description available]medium10
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole[no description available]medium10ether;
imidazoles;
monomethoxybenzene		TRP channel blocker
gamma-aminobutyric acid[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
fangchinoline[no description available]medium10
sodium bicarbonate[no description available]medium20one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
varespladib[no description available]medium10aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
valine[no description available]medium10L-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
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
sodium dodecyl sulfate[no description available]medium10organic sodium saltdetergent;
protein denaturant
3-nitropropionic acid[no description available]medium10C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin
ovalbumin[no description available]medium10
oligonucleotides[no description available]medium20
acetonitrile[no description available]medium10aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid[no description available]medium10polyamino carboxylic acid;
tetracarboxylic acid		chelator
fluorescein-5-isothiocyanate[no description available]medium10fluorescein isothiocyanate
melitten[no description available]medium90
piroxicam[no description available]medium10benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
cadmium chloride[no description available]medium20cadmium coordination entity
cupric chloride[no description available]medium10copper molecular entity;
inorganic chloride		EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
peroxynitrous acid[no description available]medium10nitrogen oxoacid
bongkrekic acid[no description available]medium20ether;
olefinic compound;
tricarboxylic acid		apoptosis inhibitor;
ATP/ADP translocase inhibitor;
bacterial metabolite;
EC 2.5.1.18 (glutathione transferase) inhibitor;
toxin
metoprolol[no description available]medium10aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide[no description available]medium20aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor
cellulase[no description available]medium10cellotriose
mastoparan[no description available]medium10mastoparans;
peptidyl amide		antimicrobial agent
capsidiol[no description available]medium10eremophilane sesquiterpenoid;
octahydronaphthalenes;
sesquiterpene phytoalexin		antifungal agent;
plant metabolite
mtt formazan[no description available]medium10
thymidine[no description available]medium20pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
formazans[no description available]medium10
9-nitrophenanthrene[no description available]medium10
p-methoxy-n-methylphenethylamine[no description available]high30aromatic ether;
secondary amino compound		metabolite
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
chlorpheniramine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
masoprocol[no description available]medium50nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
1,2-dimethylhydrazine[no description available]medium10hydrazinesalkylating agent;
carcinogenic agent
dimethylhydrazines[no description available]medium10
chloracizine[no description available]medium20
2-(4-amylcinnamoyl)amino-4-chlorobenzoic acid[no description available]medium50
oxytocin[no description available]medium20heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
guanosine 5'-o-(3-thiotriphosphate)[no description available]medium10nucleoside triphosphate analogue
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
ro 31-8220[no description available]medium10imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor
1-(5-isoquinolinesulfonyl)-2-methylpiperazine[no description available]medium10isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor
sq-23377[no description available]medium10cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite
1,6-bis(cyclohexyloximinocarbonyl)hexane[no description available]medium30carbamate ester;
organonitrogen compound
tiletamine hydrochloride[no description available]medium30
orotic acid[no description available]medium10pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
thromboxanes[no description available]medium10
croton oil[no description available]medium10N-acyl-hexosamine
allyl sulfide[no description available]medium10organic sulfide
bucladesine[no description available]medium303',5'-cyclic purine nucleotide
ceruletide[no description available]medium10oligopeptidediagnostic agent;
gastrointestinal drug
6-ketoprostaglandin f1 alpha[no description available]medium40prostaglandins Falphahuman metabolite;
mouse metabolite
aluminum chloride[no description available]medium10aluminium coordination entityLewis acid
chlorine[no description available]medium20halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
substance p[no description available]medium10peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent
7,7-dimethyl-5,8-eicosadienoic acid[no description available]medium30long-chain fatty acid
5-hydroxy-6,8,11,14-eicosatetraenoic acid[no description available]medium10HETEhuman metabolite;
mouse metabolite
diclofenac[no description available]medium10amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
flurbiprofen[no description available]medium10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
muristerone a[no description available]medium10
arachidonyltrifluoromethane[no description available]medium40fatty acid derivative;
ketone;
olefinic compound;
organofluorine compound		EC 3.1.1.4 (phospholipase A2) inhibitor
tubocurarine[no description available]medium10bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
hexamethonium[no description available]medium10quaternary ammonium salt
1-methyl-4-phenylpyridinium[no description available]medium20pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
guanabenz[no description available]medium10dichlorobenzene
moxonidine[no description available]medium10organohalogen compound;
pyrimidines
efaroxan[no description available]medium101-benzofurans
benzofurans[no description available]medium30
thimerosal[no description available]medium20alkylmercury compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen
fibrin[no description available]medium20peptide
bradykinin[no description available]medium10oligopeptidehuman blood serum metabolite;
vasodilator agent
aa 861[no description available]medium301,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid[no description available]medium20
arachidonic acid omega-9 hydroperoxide[no description available]medium10HPETEmouse metabolite
8,11,14-eicosatrienoic acid[no description available]medium10fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical
stearic acid[no description available]medium10long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
14,15-epoxy-5,8,11-eicosatrienoic acid[no description available]medium10long-chain fatty acid
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid[no description available]medium10
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid[no description available]medium10HPETEhuman xenobiotic metabolite
ag-213[no description available]medium10
manoalide[no description available]medium10butenolide;
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
ethidium[no description available]medium10phenanthridinesfluorochrome;
intercalator
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one[no description available]medium20naphthalenes
carbonyl cyanide m-chlorophenyl hydrazone[no description available]medium20hydrazone;
monochlorobenzenes;
nitrile		antibacterial agent;
geroprotector;
ionophore
w 7[no description available]medium10
propranolol[no description available]medium20naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
guanine[no description available]medium102-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
h 89[no description available]medium10N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
adenosine 5'-o-(3-thiotriphosphate)[no description available]medium10nucleoside triphosphate analogue
adenylyl imidodiphosphate[no description available]medium10adenosine 5'-phosphate
4,4'-dipyridyl disulfide[no description available]medium10organic disulfide;
pyridines
sodium cyanide[no description available]medium10cyanide salt;
one-carbon compound;
sodium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
2,4-dinitrophenol[no description available]medium10dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
5,8,11-eicosatriynoic acid[no description available]medium10acetylenic fatty acid;
icosanoid;
long-chain fatty acid;
polyunsaturated fatty acid		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor
fenfluramine[no description available]medium10(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
butacaine[no description available]medium10benzoate ester
trifluoperazine[no description available]medium10N-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
3,4-dihydroxyphenylacetaldehyde[no description available]medium10alpha-CH2-containing aldehyde;
catechols;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite
4-aminobenzoic acid[no description available]medium10aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
3,4-dihydroxyphenylacetic acid[no description available]medium10catechols;
dihydroxyphenylacetic acid		human metabolite
4-aminobenzoic acid[no description available]medium10aminobenzoate;
aromatic amino-acid anion		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
calcitriol[no description available]medium10D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
methadyl acetate[no description available]medium10diarylmethane
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
valganciclovir[no description available]medium10L-valyl ester;
purines		antiviral drug;
prodrug
5,8,11,14-eicosatetraynoic acid[no description available]medium10long-chain fatty acid
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
thromboplastin[no description available]medium10
lacidipine[no description available]medium10cinnamate ester;
tert-butyl ester
dihydropyridines[no description available]medium10
bromochloroacetic acid[no description available]medium102-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
pramipexole[no description available]medium10benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
prostaglandins b[no description available]medium10
guanosine[no description available]medium10guanosines;
purines D-ribonucleoside		fundamental metabolite
edetic acid[no description available]medium10ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
diethyl pyrocarbonate[no description available]medium10acyclic carboxylic anhydride
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
glycerylphosphorylcholine[no description available]medium10glycerophosphocholine
leukotriene b4[no description available]medium20dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent
epichlorohydrin[no description available]medium10epoxide;
organochlorine compound
methylnitronitrosoguanidine[no description available]medium20nitroso compoundalkylating agent
phosphatidylcholines[no description available]medium201,2-diacyl-sn-glycero-3-phosphocholine
e-z cinnamic acid[no description available]medium10cinnamic acidplant metabolite
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
tetrahydropapaveroline[no description available]medium10benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol		human metabolite
4-butyrolactone[no description available]medium40butan-4-olidemetabolite;
neurotoxin
trolamine salicylate[no description available]medium10
zinc oxide[no description available]medium10zinc molecular entity
sulfur[no description available]medium10chalcogen;
nonmetal atom		macronutrient
limonene[no description available]medium10cycloalkene;
p-menthadiene		human metabolite
picrotoxin[no description available]medium20
beta-escin[no description available]medium10
fusarium[no description available]medium10
glutamic acid[no description available]medium10glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
glycogen[no description available]medium10
titanium[no description available]medium10titanium group element atom
ants[no description available]medium10
trazodone hydrochloride[no description available]medium20hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
heptanol[no description available]medium10heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
diphenhydramine hydrochloride[no description available]medium10hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
nsc 4347[no description available]medium10
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
naphthoquinones[no description available]medium10
chalcone[no description available]medium10chalconeEC 3.2.1.1 (alpha-amylase) inhibitor
sucrose[no description available]medium20glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
thromboxane b2[no description available]medium20thromboxanes Bhuman metabolite;
mouse metabolite
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
lignin[no description available]medium10
cellulose[no description available]medium10glycoside
2,2,4-trimethylpentane[no description available]low00alkane;
volatile organic compound		fuel additive;
nephrotoxin;
non-polar solvent
lead chromate[no description available]low00chromium coordination entity;
lead coordination entity		carcinogenic agent;
nephrotoxin;
neurotoxin
amikacin[no description available]low00alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
benoxaprofen[no description available]medium001,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
synthalin a[no description available]low00guanidineshepatotoxic agent;
hypoglycemic agent;
nephrotoxin
cisplatin[no description available]low00diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
sodium bromate[no description available]low00bromate salt;
inorganic sodium salt		nephrotoxin;
oxidising agent
acetaldehyde[no description available]low00aldehydecarcinogenic 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
benzene[no description available]low00aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
2-nitropropane[no description available]low00secondary nitroalkanecarcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic
hydroquinone[no description available]low00benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
naphthalene[no description available]low00naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]low00imidazopyridine;
primary amino compound		carcinogenic agent;
mutagen
azathioprine[no description available]medium00aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
busulfan[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
dacarbazine[no description available]low00imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug
ddt[no description available]low00benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
methapyrilene[no description available]low00ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methyl methanesulfonate[no description available]low00methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
phenazopyridine[no description available]low00diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
semustine[no description available]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent
sulfamethazine[no description available]low00pyrimidines;
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
2-acetylaminofluorene[no description available]low002-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
diethylnitrosamine[no description available]low00nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen
4-nitroquinoline-1-oxide[no description available]medium00C-nitro compound;
quinoline N-oxide		carcinogenic agent
dimazine[no description available]low00hydrazinescarcinogenic agent;
fuel;
teratogenic agent
9,10-dimethyl-1,2-benzanthracene[no description available]low00ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent
n-nitrosomorpholine[no description available]low00nitrosaminecarcinogenic agent;
mutagen
ethyl methanesulfonate[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent
diethyl sulfate[no description available]low00alkyl sulfatealkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen
chloroform[no description available]low00chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
hexachloroethane[no description available]low00chlorocarbon;
chloroethanes		carcinogenic agent;
refrigerant
bromoethane[no description available]low00bromoalkane;
bromohydrocarbon;
volatile organic compound		alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent
methylene chloride[no description available]low00chloromethanes;
volatile organic compound		carcinogenic agent;
polar aprotic solvent;
refrigerant
vinylidene chloride[no description available]low00chloroethenescarcinogenic agent;
mouse metabolite;
mutagen
trichloroacetic acid[no description available]medium00monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
acrylamide[no description available]low00acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
acriflavine chloride[no description available]low00organic chloride saltantibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator
2,6-xylidine[no description available]low00dimethylaniline;
primary arylamine		carcinogenic agent;
drug metabolite
2,4,6-trichlorophenol[no description available]low00trichlorophenolcarcinogenic agent
2-nitrotoluene[no description available]low00mononitrotoluenecarcinogenic agent;
environmental contaminant
1-methylnaphthalene[no description available]low00methylnaphthalenecarcinogenic agent;
plant metabolite
2-nitroanisole[no description available]low002-nitroanisolescarcinogenic agent
proflavine[no description available]low00aminoacridinesantibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator
benzidine[no description available]low00biphenyls;
substituted aniline		carcinogenic agent
2-toluidine[no description available]low00aminotoluenecarcinogenic agent
benzotrichloride[no description available]low00benzenes;
organochlorine compound;
volatile organic compound		carcinogenic agent
benzoyl chloride[no description available]low00acyl chloride;
benzenes		carcinogenic agent
n-nitrosopiperidine[no description available]low00nitrosamine;
piperidine		apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen
4,4'-diaminodiphenylmethane[no description available]low00aromatic amineallergen;
carcinogenic agent
4-vinyl-1-cyclohexene dioxide[no description available]low00epoxidecarcinogenic agent
ethylene dibromide[no description available]low00bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
1,3-butadiene[no description available]low00butadienecarcinogenic agent;
mutagen
acrylonitrile[no description available]low00aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent
furan[no description available]low00furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
chlorendic acid[no description available]low00bridged compound;
dicarboxylic acid;
organochlorine compound		carcinogenic agent
hexachlorobenzene[no description available]low00aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
methapyrilene hydrochloride[no description available]low00hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
phenazopyridine hydrochloride[no description available]low00hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
nitrilotriacetic acid[no description available]low00NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
estragole[no description available]low00alkenylbenzene;
monomethoxybenzene;
phenylpropanoid		carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite
benzo(e)pyrene[no description available]low00ortho- and peri-fused polycyclic arenecarcinogenic agent;
mutagen
diazomethane[no description available]low00diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
perfluorooctanoic acid[no description available]low00fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
4-methylcatechol[no description available]low00methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
mustard gas[no description available]low00ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
1,2-naphthoquinone[no description available]low001,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
bis(chloromethyl) ether[no description available]low00ether;
organochlorine compound		alkylating agent;
carcinogenic agent
malachite green[no description available]low00organic chloride saltantibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent
2-nitrofluorene[no description available]low00nitroarenecarcinogenic agent;
mutagen
methylnitrosourea[no description available]low00N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
2,6-dichlorobenzoquinone[no description available]low001,4-benzoquinones;
organochlorine compound		carcinogenic agent;
poison
ethylnitrosourea[no description available]low00N-nitrosoureasalkylating agent;
carcinogenic agent;
genotoxin;
mutagen
4-methylimidazole[no description available]low00imidazolescarcinogenic agent;
reaction intermediate
beryllium oxide[no description available]low00beryllium molecular entity;
metal oxide		carcinogenic agent
1,5-naphthalenediamine[no description available]low00naphthalenediaminecarcinogenic agent
5-methoxyindoleacetic acid[no description available]medium00aromatic ether;
indole-3-acetic acids		antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite
butylhydroxybutylnitrosamine[no description available]low00nitrosamine;
primary alcohol		carcinogenic agent
1-nitropyrene[no description available]low00nitroarenecarcinogenic agent
cyclophosphamide[no description available]low00hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent
acetoxyacetylaminofluorene[no description available]low002-acetamidofluorenescarcinogenic agent;
mutagen
nitrosocarbaryl[no description available]low00carbamate ester;
naphthalenes;
nitroso compound		carcinogenic agent;
mutagen
phosphine[no description available]low00mononuclear parent hydride;
phosphanes;
phosphine		carcinogenic agent;
fumigant insecticide
sodium chromate(vi)[no description available]low00inorganic sodium saltcarcinogenic agent;
diagnostic agent;
oxidising agent;
poison
beryllium chloride[no description available]low00beryllium molecular entity;
inorganic chloride		carcinogenic agent;
genotoxin
potassium chromate(vi)[no description available]low00potassium saltcarcinogenic agent;
oxidising agent
cadmium nitrate[no description available]low00cadmium salt;
inorganic nitrate salt		carcinogenic agent;
genotoxin;
hepatotoxic agent
ethionine[no description available]low00S-ethylhomocysteineantimetabolite;
carcinogenic agent
n-ethyl-n-hydroxyethylnitrosamine[no description available]low00nitrosamine;
primary alcohol		carcinogenic agent
n-amyl-n-methylnitrosamine[no description available]low00nitrosaminecarcinogenic agent
n-nitrososarcosine[no description available]low00nitrosamine;
non-proteinogenic amino acid derivative		carcinogenic agent
ferric nitrilotriacetate[no description available]low00iron chelatecarcinogenic agent;
mutagen
1,4-dioxane[no description available]low00dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
butyl(3-carboxypropyl)nitrosamine[no description available]medium00monocarboxylic acid;
nitrosamine		carcinogenic agent
diisopropanolnitrosamine[no description available]low00diol;
nitrosamine;
secondary alcohol		carcinogenic agent
nitrosobis(2-oxopropyl)amine[no description available]low00ketone;
nitrosamine		carcinogenic agent
2-amino-3-methylimidazo(4,5-f)quinoline[no description available]low00imidazoquinolinecarcinogenic agent
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline[no description available]low00aromatic amine;
imidazoquinoxaline		carcinogenic agent;
genotoxin;
Maillard reaction product;
mutagen
musk xylene[no description available]medium00C-nitro compoundcarcinogenic agent;
explosive;
fragrance
scarlet red[no description available]low00azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye
sudan iii[no description available]low00azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye
xanthurenic acid 8-methyl ether[no description available]medium00aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite
n-hydroxy-4-aminobiphenyl[no description available]low00aminobiphenyl;
N-substituted amine		carcinogenic agent;
human xenobiotic metabolite
aflatoxin q1[no description available]medium00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human xenobiotic metabolite
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol[no description available]low00nitrosamine;
pyridines;
secondary alcohol		biomarker;
carcinogenic agent;
human urinary metabolite
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]low00hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite
thiamethoxam[no description available]low001,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane		antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic
ponceau mx[no description available]low00azobenzenes;
naphthalenesulfonic acid;
naphthols		carcinogenic agent;
cardiotoxic agent
methanearsonous acid[no description available]low00arsonous acids;
one-carbon compound		carcinogenic agent;
human xenobiotic metabolite;
poison
aflatoxin b1[no description available]medium00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
2-hydroxyestradiol[no description available]low0017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
sodium arsenite[no description available]low00arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide
versicolorin a[no description available]medium00cyclic acetal;
organic heteropentacyclic compound;
p-quinones;
polyphenol		Aspergillus metabolite;
carcinogenic agent
propylthiouracil[no description available]low00pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
captax[no description available]low00aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
dieldrin[no description available]low00epoxide;
organochlorine compound;
organochlorine insecticide		carcinogenic agent;
xenobiotic
fumonisin b1[no description available]low00diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite
beryllium[no description available]low00alkaline earth metal atom;
elemental beryllium;
metal allergen		adjuvant;
carcinogenic agent;
epitope
riddelliine n-oxide[no description available]low00diol;
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
gw 501516[no description available]medium001,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist
4-hydroxyestrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid		carcinogenic agent;
estrogen;
human urinary metabolite
3,6-diamino-10-methylacridinium chloride hydrochloride[no description available]low00hydrochlorideantibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator
debromoaplysiatoxin[no description available]low00aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
aplysiatoxin[no description available]low00aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
colibactin[no description available]low001,3-thiazoles;
azaspiro compound;
polyketide;
pyrroline;
secondary carboxamide		alkylating agent;
carcinogenic agent;
Escherichia coli metabolite;
genotoxin
ethylene dichloride[no description available]low00chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
phenanthridone[no description available]low00lactam;
phenanthridines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen
hycanthone[no description available]low00thioxanthenesmutagen;
schistosomicide drug
sodium fluoride[no description available]low00fluoride saltmutagen
urethane[no description available]low00carbamate esterfungal metabolite;
mutagen
bromouracil[no description available]low00nucleobase analogue;
pyrimidines		mutagen
1,2,5,6-dibenzanthracene[no description available]low00ortho-fused polycyclic arenemutagen
dimethylmyleran[no description available]low00methanesulfonate esteralkylating agent;
mutagen
dimethylnitrosamine[no description available]low00nitrosaminegeroprotector;
mutagen
methyl chloride[no description available]low00chloromethanes;
methyl halides		marine metabolite;
mutagen;
refrigerant
ethylene oxide[no description available]low00gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
aminacrine[no description available]low00aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen
4-nitrobenzyl chloride[no description available]medium00benzyl chlorides;
C-nitro compound		mutagen
styrene[no description available]low00styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
1-bromo-2-chloroethane[no description available]low00haloalkane;
organobromine compound;
organochlorine compound		mutagen
1-amino-2-naphthol-4-sulfonic acid[no description available]low00aminonaphthalene;
naphthalenesulfonic acid		mutagen
dibenzo(a,l)pyrene[no description available]low00ortho- and peri-fused polycyclic arenehuman metabolite;
mutagen
benzo(b)fluoranthene[no description available]low00ortho- and peri-fused polycyclic arenemutagen
5-fluorouridine[no description available]low00organofluorine compound;
uridines		mutagen
lucanthone[no description available]low00thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
4-methylquinoline[no description available]low00methylquinolinemutagen
diepoxybutane[no description available]low00epoxidemutagen
methoxyacetic acid[no description available]medium00ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
hempa[no description available]low00phosphoramideinsect sterilant;
mutagen
2,6-diaminotoluene[no description available]low00diamine;
primary amino compound		mutagen
1-methylphenanthrene[no description available]low00phenanthrenesmutagen
1,2,7,8-diepoxyoctane[no description available]low00epoxidemutagen
c.i. solvent yellow 56[no description available]low00azobenzenes;
substituted aniline;
tertiary amino compound		dye;
mutagen
6-n-hydroxylaminopurine[no description available]low006-aminopurines;
hydroxylamines;
nucleobase analogue		mutagen;
teratogenic agent
ozone[no description available]low00elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
acridine half-mustard[no description available]medium00aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound		mutagen
sodium azide[no description available]low00inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
fagaronine[no description available]low00benzophenanthridine alkaloidmutagen
o-(6)-methylguanine[no description available]low00methylguaninemutagen
5-bromouridine[no description available]low00uridinesmutagen
ethylenimine quinone[no description available]low001,4-benzoquinones;
aziridines		alkylating agent;
mutagen
2-amino-n(6)-hydroxyadenine[no description available]low002,6-diaminopurines;
hydroxylamines;
nucleobase analogue		mutagen;
teratogenic agent
1,n(6)-ethenoadenine[no description available]low00imidazo[2,1-i]purinemutagen
aminopterin[no description available]low00dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
hycanthone methanesulfonate[no description available]low00methanesulfonate saltalkylating agent;
mutagen;
schistosomicide drug
5-formyluracil[no description available]low00aldehyde;
nucleobase analogue;
pyrimidone		human metabolite;
mutagen
myosmine[no description available]low00pyridine alkaloid;
pyrroline		EC 1.14.14.14 (aromatase) inhibitor;
mutagen;
plant metabolite
4-nitrophenylhydrazine[no description available]medium00C-nitro compound;
phenylhydrazines		mutagen
demethylbellidifolin[no description available]low00tetrol;
xanthones		antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger
(2e)-decenal[no description available]low002-decenalalarm pheromone;
mutagen;
nematicide
sodium bisulfite[no description available]low00inorganic sodium salt;
sulfite salt		allergen;
food antioxidant;
food colour retention agent;
mutagen;
reducing agent
spiroiminodihydantoin[no description available]low00azaspiro compoundmutagen
8-oxodeoxyguanosine triphosphate[no description available]low00purine 2'-deoxyribonucleoside 5'-triphosphatemutagen
3,n(4)-ethanocytosine[no description available]low00organic heterobicyclic compoundmutagen
ethylene glycol[no description available]low00ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
hydrogen sulfide[no description available]low00gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
phenylacetic acid[no description available]medium00benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
acetopyrrothine[no description available]low00acetamides;
dithiolopyrrolone antibiotic		angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin
acrolein[no description available]low00enalherbicide;
human xenobiotic metabolite;
toxin
tropolone[no description available]low00alpha-hydroxy ketone;
cyclic ketone;
enol		bacterial metabolite;
fungicide;
toxin
nereistoxin[no description available]low00dithiolanesinsecticide;
toxin
mitomycin a[no description available]low00ether;
mitomycin		alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin
galactosamine[no description available]low00D-galactosamine;
primary amino compound		toxin
tobramycin[no description available]low00amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
solanidine[no description available]low003beta-hydroxy-Delta(5)-steroid;
solanid-5-en-3-ol;
steroid alkaloid fundamental parent		plant metabolite;
toxin
toxoflavin[no description available]low00carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
djenkolic acid[no description available]low00dithioacetal;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid		plant metabolite;
toxin
tabtoxin[no description available]low00dipeptide;
L-threonine derivative;
monobactam;
secondary alcohol		bacterial metabolite;
toxin
tilivalline[no description available]low00indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine		bacterial metabolite;
microtubule-stabilising agent;
toxin
3-octanone[no description available]low00dialkyl ketoneantifeedant;
biomarker;
fungal metabolite;
human urinary metabolite;
insect attractant;
plant metabolite;
toxin
neriifolin[no description available]low00cardenolide glycosidecardiotonic drug;
neuroprotective agent;
toxin
ergonovine[no description available]medium00ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		diagnostic agent;
fungal metabolite;
oxytocic;
toxin
latrunculin a[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
latrunculin b[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
bafilomycin a1[no description available]low00cyclic 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
dysidenin[no description available]low001,3-thiazoles;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide		animal metabolite;
marine metabolite;
toxin
palytoxin[no description available]low00polyoltoxin
dinophysistoxin 1[no description available]low00ketalanimal metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
marine metabolite;
toxin
decarbamylsaxitoxin[no description available]low00alkaloid;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
primary alcohol;
pyrrolopurine		bacterial metabolite;
marine metabolite;
neurotoxin;
toxin;
xenobiotic
tropodithietic acid[no description available]medium00cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound		antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin
saxitoxin[no description available]low00alkaloid;
carbamate ester;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
pyrrolopurine		cyanotoxin;
marine metabolite;
neurotoxin;
sodium channel blocker;
toxin
dinophysistoxin 2[no description available]low00ketalEC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
toxin
biliatresone[no description available]medium00aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin
tilimycin[no description available]low00phenols;
pyrrolobenzodiazepine		alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin
alpha-hydroxyglutarate[no description available]low002-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite
alpha-isopropylmalate[no description available]low002-hydroxy carboxylic acid;
3-hydroxy carboxylic acid;
dicarboxylic acid		metabolite
acetoacetic acid[no description available]low003-oxo fatty acid;
ketone body		metabolite
3-hydroxybenzyl alcohol[no description available]low00hydroxybenzyl alcohol;
phenols		metabolite
n-carbamoyl-beta-alanine[no description available]low00beta-alanine derivativemetabolite;
mouse metabolite
acetoin[no description available]low00methyl ketone;
secondary alpha-hydroxy ketone		metabolite
ammonium hydroxide[no description available]low00azane;
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
benzyl alcohol[no description available]low00benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
carbon monoxide[no description available]low00carbon 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
formic acid[no description available]medium00monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
4-hydroxymandelic acid[no description available]low002-hydroxy carboxylic acid;
phenols		metabolite
n(1)-acetylspermidine[no description available]low00acetylspermidineEscherichia coli metabolite;
metabolite
aminocaproic acid[no description available]low00amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
dihydrouracil[no description available]low00pyrimidoneEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
dihydroxyacetone[no description available]low00ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
dimethylamine[no description available]low00methylamines;
secondary aliphatic amine		metabolite
glycolic acid[no description available]low002-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite
hydantoin-5-propionic acid[no description available]medium00imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite
niacinamide[no description available]low00pyridine 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
niacin[no description available]low00pyridine 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
oxaloacetic acid[no description available]low00C4-dicarboxylic acid;
oxo dicarboxylic acid		geroprotector;
metabolite
porphobilinogen[no description available]low00aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite
1-propanol[no description available]low00propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
trimethyloxamine[no description available]low00tertiary amine oxideEscherichia coli metabolite;
metabolite;
osmolyte
6-hydroxymelatonin[no description available]low00acetamides;
tryptamines		metabolite;
mouse metabolite
n-acetylphenylalanine[no description available]low00N-acetyl-amino acid;
phenylalanine derivative		antidepressant;
metabolite
dibutyl phthalate[no description available]low00diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
hydroxymethyltolbutamide[no description available]low00benzyl alcohols;
sulfonamide;
ureas		metabolite
methyl salicylate[no description available]low00benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
phenmetrazine[no description available]low00morpholinesmetabolite;
sympathomimetic agent
phenylbutazone[no description available]low00pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
safrole[no description available]low00benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
2,2'-thiodiethanol[no description available]low00aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent
sorbitol[no description available]low00glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
alloxan[no description available]low00pyrimidonehyperglycemic agent;
metabolite
allyl isothiocyanate[no description available]low00alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite
n-methyltryptamine[no description available]low00tryptamine alkaloid;
tryptamines		metabolite
4-deoxypyridoxine[no description available]low00hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine		metabolite
cycloserine[no description available]low004-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
17-alpha-hydroxyprogesterone[no description available]low0017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
mannitol[no description available]low00mannitolallergen;
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
phenacyl bromide[no description available]low00acetophenones;
alpha-bromoketone		metabolite
acrylic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acidmetabolite
n-methylacetamide[no description available]low00acetamides;
monocarboxylic acid amide		metabolite
bis(4-hydroxyphenyl)sulfone[no description available]low00bisphenol;
sulfone		endocrine disruptor;
metabolite
7-amino-4-hydroxy-2-naphthalenesulfonic acid[no description available]low00aminonaphthalenesulfonic acid;
naphthols		metabolite
methyl benzoate[no description available]low00benzoate ester;
methyl ester		insect attractant;
metabolite
2-dichlorobenzene[no description available]low00dichlorobenzenehepatotoxic agent;
metabolite
2,4-diaminotoluene[no description available]low00aminotoluenemetabolite
sulfosalicylic acid[no description available]low00arenesulfonic acid;
benzoic acids;
phenols		metabolite
ethyl lactate[no description available]low00ethyl ester;
lactate ester;
secondary alcohol		metabolite
furaldehyde[no description available]low00aldehyde;
furans		Maillard reaction product;
metabolite
thiophene-2-carboxaldehyde[no description available]low00aldehyde;
thiophenes		metabolite
alpha-resorcylic acid[no description available]low00dihydroxybenzoic acid;
resorcinols		metabolite
methylenebis(chloroaniline)[no description available]low00chloroanilinemetabolite
2-phenylethyl acetate[no description available]low00acetate estermetabolite;
Saccharomyces cerevisiae metabolite
dibenzyl ether[no description available]low00benzyl ethermetabolite
ethyl propionate[no description available]low00propanoate estermetabolite
citronellal[no description available]low00aldehyde;
monoterpenoid		antifungal agent;
metabolite
ethyl oenanthate[no description available]low00fatty acid ethyl estermetabolite
ethyl caprylate[no description available]low00fatty acid ethyl ester;
octanoate ester		metabolite
ethyl laurate[no description available]low00fatty acid ethyl estermetabolite
acetic anhydride[no description available]low00acyclic carboxylic anhydridemetabolite;
reagent
ethyl isovalerate[no description available]low00fatty acid ethyl ester;
olefinic compound		metabolite
n-butyl n-butyrate[no description available]low00butyrate estermetabolite
ethyl decanoate[no description available]low00decanoate ester;
fatty acid ethyl ester		metabolite
methyl octanoate[no description available]low00fatty acid methyl ester;
octanoate ester		metabolite
2-octanone[no description available]low00methyl ketonemetabolite
hexylamine[no description available]low00primary aliphatic aminemetabolite
lauric acid methyl ester[no description available]low00dodecanoate ester;
fatty acid methyl ester		metabolite
octylamine[no description available]low00primary aliphatic aminemetabolite
n-decyl alcohol[no description available]low00decanol;
primary alcohol		metabolite;
pheromone;
protic solvent
methyl palmitate[no description available]low00fatty acid methyl estermetabolite
maltol[no description available]low004-pyranonesmetabolite
chloranil[no description available]low001,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
dibenzoylmethane[no description available]low00aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite
methyl anthranilate[no description available]low00benzoate esterflavouring agent;
metabolite
benzyl acetate[no description available]low00acetate ester;
benzyl ester		metabolite
ethyl acetate[no description available]low00acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
dibenzyl disulfide[no description available]low00organic aromatic compound;
organic disulfide		metabolite
mequinol[no description available]low00methoxybenzenes;
phenols		metabolite
gamma-resorcylic acid[no description available]low00dihydroxybenzoic acidmetabolite
kynuramine[no description available]low00kynurenamines;
primary amino compound		metabolite
5-methylpyrazole-3-carboxylic acid[no description available]medium00monocarboxylic acid;
pyrazoles		metabolite
4-trifluoromethylaniline[no description available]low00(trifluoromethyl)benzenes;
substituted aniline		metabolite
methylguanidine[no description available]low00guanidinesEC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite;
uremic toxin
liriodenine[no description available]low00alkaloid 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
imperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
Dillapiole[no description available]low00benzodioxolesmetabolite
coumaran[no description available]low001-benzofuransmetabolite
1,3-propanediol[no description available]low00propane-1,3-diolsmetabolite;
protic solvent
tridecanedioic acid[no description available]low00alpha,omega-dicarboxylic acidmetabolite
physcione[no description available]low00dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite
apiole[no description available]low00benzodioxolesmetabolite
flavone[no description available]low00flavonesmetabolite;
nematicide
cetyl palmitate[no description available]low00hexadecanoate estermetabolite
n-amyl butyrate[no description available]low00butyrate estermetabolite
3-aminobutyric acid[no description available]medium00amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite
methyl lactate[no description available]low00lactate ester;
methyl ester		metabolite
paeonol[no description available]low00methoxybenzenes;
phenols		metabolite
2,2-dimethylbutyric acid[no description available]low00dimethylbutyric acidmetabolite
2-chloroacrylic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
chlorocarboxylic acid		metabolite
galactitol[no description available]low00hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
1-methyluracil[no description available]low00nucleobase analogue;
pyrimidone		metabolite
2-pyrrolidone[no description available]low00pyrrolidin-2-onesmetabolite;
polar solvent
n-ethylacetamide[no description available]low00acetamidesmetabolite
6-methyluracil[no description available]low00pyrimidonemetabolite
3-methylglutaric acid[no description available]low00alpha,omega-dicarboxylic acidmetabolite
amyl acetate[no description available]low00acetate estermetabolite
dibenzothiophene 5-oxide[no description available]low00dibenzothiophenesmetabolite
2-acetamidoethanethiol[no description available]low00acetamidesmetabolite
2-hydroxyquinoxaline[no description available]low00hydroxyquinoxalinemetabolite
3,4-dihydroxyacetophenone[no description available]low00acetophenones;
catechols;
dihydroxyacetophenone		metabolite
methyl hippurate[no description available]low00glycine derivative;
methyl ester		metabolite
isobarbaloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
methyl tert-butyl ether[no description available]low00etherfuel additive;
metabolite;
non-polar solvent
4-octylphenol[no description available]low00phenolsmetabolite;
surfactant;
xenoestrogen
dronabinol[no description available]low00benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
phenethyl isothiocyanate[no description available]low00isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
2-methoxy-1,4-naphthoquinone[no description available]low001,4-naphthoquinones;
enol ether		antimicrobial agent;
metabolite;
plant metabolite
aviprin[no description available]low00furanocoumarinmetabolite
hydroxyphenytoin[no description available]low00imidazolidine-2,4-dione;
phenols		metabolite
squaric acid[no description available]low00alicyclic ketone;
carbon oxoacid		metabolite
methyl methanethiosulfonate[no description available]low00sulfonic acid derivative;
thiosulfonate ester		metabolite
arabinofuranosyluracil[no description available]low00N-glycosyl compoundmetabolite
6-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite
mannose[no description available]low00D-aldohexose;
D-mannose;
mannopyranose		metabolite
2,3-hexanedione[no description available]low00alpha-diketonemetabolite
tabersonine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite
3,3-dimethylglutarate[no description available]low00alpha,omega-dicarboxylic acidmetabolite
raspberry ketone[no description available]low00methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite
laurolitsine[no description available]medium00aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite
helenalin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite
diethyl malate[no description available]low00malate estermetabolite
carbendazim[no description available]low00benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
glucoheptonate[no description available]medium00carbohydrate acid;
monocarboxylic acid		metabolite
deslanoside[no description available]low0012beta-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
streptozocin[no description available]low00N-acylglucosamine;
N-nitrosoureas		antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite
pedalitin[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		EC 1.17.3.2 (xanthine oxidase) inhibitor;
metabolite
ethyl nonanoate[no description available]low00fatty acid ethyl estermetabolite
ethyl hexanoate[no description available]low00fatty acid ethyl ester;
hexanoate ester		metabolite
butyl acetate[no description available]low00acetate estermetabolite
isoamyl acetate[no description available]low00acetate estermetabolite;
Saccharomyces cerevisiae metabolite
ribostamycin[no description available]low00amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite
tramadol[no description available]low002-[(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
6-pentylpyrone[no description available]low002-pyranonesmetabolite
4-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
perfosfamide[no description available]low00nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide		alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite
3-methyl-2-butenal[no description available]low00enalmetabolite
ethyl 3-hydroxybutyrate[no description available]low00fatty acid ethyl estermetabolite
4,5-dimethyl-3-hydroxy-2(5h)-furanone[no description available]low00butenolidemetabolite
n-methylnicotinamide[no description available]low00pyridinecarboxamidemetabolite
3-aminoisobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid		metabolite
platanic acid[no description available]low00hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid		anti-HIV agent;
metabolite
2'-deoxyuridylic acid[no description available]low00deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
gallocatechol[no description available]low00gallocatechinantioxidant;
metabolite;
radical scavenger
1-methylinosine[no description available]low00inosinesmetabolite
dihydrobetulinic acid[no description available]low00hydroxy 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
2-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
3'-cmp[no description available]low00cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
xanthoxyletin[no description available]low00coumarinsmetabolite
orsellinic acid[no description available]low00dihydroxybenzoic acid;
resorcinols		fungal metabolite;
marine metabolite;
metabolite
isoimperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
rotenolone[no description available]low00organic molecular entitymetabolite
seselin[no description available]low00coumarinsmetabolite
perillene[no description available]low00furans;
monoterpenoid		fragrance;
metabolite;
semiochemical
glycine methyl ester[no description available]low00glycinyl estermetabolite
hexadecanamide[no description available]low00primary fatty amidemetabolite
benzocyclobutene[no description available]low00carbobicyclic compoundmetabolite
9-methyladenine[no description available]low00methyladeninemetabolite
n'-methyl-2-pyridone-5-carboxamide[no description available]low00methylpyridines;
pyridinecarboxamide;
pyridone		metabolite;
mouse metabolite
1,3-dimethyluracil[no description available]low00pyrimidonemetabolite
3-methoxysalicylic acid[no description available]low00methoxysalicylic acidmetabolite
1,3-dimethyluric acid[no description available]low00oxopurinemetabolite
leucyltyrosine[no description available]low00dipeptidemetabolite
3-methylxanthine[no description available]low003-methylxanthinemetabolite
leucyl-glycyl-glycine[no description available]low00tripeptidemetabolite
acetylleucine[no description available]low00L-leucine derivative;
N-acetyl-L-amino acid		metabolite
n-benzoylalanine, (dl-ala)-isomer[no description available]low00alanine derivative;
N-acyl-amino acid		metabolite
7-methyladenine[no description available]low00methyladeninemetabolite
acetylisoniazid[no description available]low00carbohydrazidemetabolite
illimaquinone[no description available]low00monohydroxy-1,4-benzoquinones;
prenylquinone		metabolite
lividomycin[no description available]low00lividomycinsmetabolite
dmp 323[no description available]low00diazepanone;
ureas		anti-HIV agent;
metabolite
eupolauridine[no description available]low00naphthyridine derivativemetabolite
zaluzanin C[no description available]low00gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
2-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine		metabolite
(-)-catechin[no description available]low00catechinmetabolite
Tormentic acid[no description available]low00triterpenoidmetabolite
pinobanksin[no description available]low00secondary alpha-hydroxy ketone;
trihydroxyflavanone		antimutagen;
antioxidant;
metabolite
sigmoidin a[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger
xanthosine 5'-triphosphate[no description available]low00purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
monotropein[no description available]medium00beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite
glycyl-histidyl-lysine[no description available]low00tripeptidechelator;
hepatoprotective agent;
metabolite;
vulnerary
arjunolic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite
oxazolidin-2-one[no description available]low00carbamate ester;
oxazolidinone		metabolite
monoethyl phthalate[no description available]low00ethyl ester;
phthalic acid monoester		metabolite
methylimidazoleacetic acid[no description available]medium00imidazoles;
monocarboxylic acid		GABA agonist;
metabolite
2-(2-aminoethyl)pyridine[no description available]low00aminoalkylpyridine;
primary amine		histamine agonist;
metabolite
methyl orsellinate[no description available]low00hydroxybenzoic acidmetabolite
2,2-di(4-methacryloxyphenyl)propane[no description available]low00bisphenol;
enoate ester		metabolite
sofosbuvir[no description available]low00aminopyrimidine;
aromatic carboxylic acid;
nucleobase analogue;
pyrimidone		metabolite
3-methyluracil[no description available]low00nucleobase analogue;
pyrimidone		metabolite
1-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
leucyl-alanine[no description available]low00dipeptidemetabolite
leucyl-leucyl-leucine[no description available]low00tripeptidemetabolite
3,4-dihydroxyphenylethanol[no description available]low00catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite
3,7-dimethyluric acid[no description available]low00oxopurinemetabolite;
mouse metabolite
alanylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
d-biotin-d-sulfoxide[no description available]low00biotins;
sulfoxide		metabolite
biotin sulfone[no description available]low00biotins;
sulfone		metabolite
asperuloside[no description available]low00acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite
primin[no description available]low001,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite
2-(hydroxymethyl)anthraquinone[no description available]low00anthraquinonemetabolite
tyrosylleucine[no description available]low00dipeptidemetabolite
o-methylserine[no description available]low00L-serine derivative;
non-proteinogenic L-alpha-amino acid		metabolite
3,4-dihydroxyphenylglycol[no description available]low00catechols;
tetrol		metabolite;
mouse metabolite
2-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
2-methylhippuric acid[no description available]low00N-acylglycinemetabolite
taraxerol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		metabolite
alpha-peltatin[no description available]medium00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite
3-acetyllupeol[no description available]low00organic molecular entitymetabolite
lupenone[no description available]low00triterpenoidmetabolite
glycyltryptophan[no description available]low00dipeptidemetabolite
monocerin[no description available]low00hydroxybenzoic acidmetabolite
propionyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
alpha-hydroxyisocaproic acid[no description available]low002-hydroxy fatty acid;
branched-chain fatty acid		metabolite
totarol[no description available]low00diterpenoidmetabolite
taraxerone[no description available]low00scalarane sesterterpenoidmetabolite
uvaol[no description available]low00triterpenoidmetabolite
glycyltyrosine[no description available]low00dipeptidemetabolite
glycylleucine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
alanyltyrosine[no description available]low00dipeptidemetabolite
glycyl-l-phenylalanine[no description available]low00dipeptide zwitterion;
dipeptide		human metabolite;
metabolite
digoxigenin-mono(digitoxoside)[no description available]low00cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid saponin		metabolite
thiazolidine-4-carboxylic acid, (r)-isomer[no description available]low00thiazolidinemonocarboxylic acid;
thioproline		geroprotector;
metabolite
5,6-dihydrothymine[no description available]low00pyrimidonehuman metabolite;
metabolite;
mouse metabolite
palmitone[no description available]low00dialkyl ketoneanticonvulsant;
metabolite
1-methylthymine[no description available]low00methylthyminemetabolite
imidazoleacetic acid[no description available]medium00imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite
1-methylguanosine[no description available]low00methylguanosinemetabolite
alanylphenylalanine[no description available]low00dipeptidemetabolite
murrayanine[no description available]low00carbazolesmetabolite
girinimbine[no description available]low00carbazolesmetabolite
tryptophylglycine[no description available]low00dipeptidemetabolite
canthin-6-one[no description available]medium00enone;
indole alkaloid;
organic heterotetracyclic compound		antimycobacterial drug;
metabolite
glycylaspartic acid[no description available]low00dipeptidemetabolite
4-methylhippuric acid[no description available]low00N-acylglycinemetabolite
delta(9)-tetrahydrocannabinolic acid[no description available]low00benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent
3-methylhippuric acid[no description available]low00N-acylglycinemetabolite
n-glycylglutamic acid[no description available]low00dipeptidemetabolite
n-caproylglycine[no description available]low00N-acylglycinemetabolite
s-2-aminoethyl cysteine[no description available]low00L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor;
metabolite;
protein synthesis inhibitor
4-hydroxycyclophosphamide[no description available]low00nitrogen mustard;
organochlorine compound;
phosphorodiamide		alkylating agent;
metabolite
alpha-glutamyltryptophan[no description available]low00dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite
malabaricone c[no description available]low00butanonemetabolite
loliolide[no description available]low00benzofuransmetabolite
tuberostemonine[no description available]low00alkaloidmetabolite
pyrrole-3-carboxylic acid[no description available]low00pyrrolecarboxylic acidmetabolite;
Penicillium metabolite
histidylglycine[no description available]low00dipeptidemetabolite
histidinoalanine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
quillaic acid[no description available]low00aldehyde;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
ecgonine methyl ester[no description available]low00methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
n-acetylcytidine[no description available]low00acetamides;
cytidines;
secondary carboxamide		metabolite
4-hydroxydebrisoquin[no description available]low00carboxamidine;
isoquinolines;
secondary alcohol		metabolite
hypotaurine[no description available]low00aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite
hc toxin[no description available]low00homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin
epicatechin gallate[no description available]low00catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
versiconal hemiacetal acetate[no description available]low00acetate ester;
anthrafuran;
lactol;
palmitoyl amino acid;
polyphenol		metabolite
selenodiglutathione[no description available]low00glutathione derivative;
thioselenide		Escherichia coli metabolite;
metabolite
coprine[no description available]low00cyclopropanes;
dicarboxylic acid monoamide;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite;
mycotoxin
exp3174[no description available]low00biphenylyltetrazole;
imidazoles;
organochlorine compound		metabolite
ribonolactone[no description available]low00butan-4-olide;
ribonolactone		metabolite
sulfamethoxazole hydroxylamine[no description available]low00isoxazoles;
sulfonamide		allergen;
metabolite
androsterone glucuronide[no description available]low00beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
metabolite;
mouse metabolite
tephrosin[no description available]medium00aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide
sapintoxin d[no description available]low00phorbol ester;
tertiary alpha-hydroxy ketone		fluorescent probe;
metabolite
amarogentin[no description available]low00monosaccharide derivative;
secoiridoid glycoside		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
metabolite
taraxasterol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite
flavoglaucin[no description available]low00hydroquinonesmetabolite
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone[no description available]low00benzofuransmetabolite
dioscin[no description available]low00hexacyclic 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
maculosin[no description available]low00dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite
n(4)-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
n-acetylputrescine[no description available]low00N-monoacetylalkane-alpha,omega-diamine;
N-substituted putrescine		metabolite;
mouse metabolite
4'-demethylpodophyllotoxin[no description available]medium00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite
lysicamine[no description available]low00alkaloid antibiotic;
oxoaporphine alkaloid		metabolite
procyanidin b2[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		antioxidant;
metabolite
aromadedrin[no description available]low004'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone		metabolite
3-methylthymine[no description available]low00methylthymine;
pyrimidone		metabolite
tyrosyl-glycyl-glycine[no description available]low00tripeptide zwitterion;
tripeptide		metabolite
cyclic adp-ribose[no description available]low00cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist
glycylglutamine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite;
protective agent
alanylglutamine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
naadp[no description available]low00nicotinic acid dinucleotidecalcium channel agonist;
metabolite;
signalling molecule
procyanidin b5[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		metabolite
proanthocyanidin a2[no description available]low00hydroxyflavan;
proanthocyanidin		angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite
dihydrosanguinarine[no description available]low00benzophenanthridine alkaloidantifungal agent;
metabolite
tetrahydrocurcumin[no description available]low00beta-diketone;
diarylheptanoid;
polyphenol		metabolite
eriodictyol 7-glucuronide[no description available]low003'-hydroxyflavonoid;
beta-D-glucosiduronic acid		EC 1.1.1.21 (aldehyde reductase) inhibitor;
metabolite
beta-lipotropin, gln(9)-[no description available]low00catechols;
crown compound;
macrocyclic lactone		bacterial metabolite;
metabolite
4-nitrososulfamethoxazole[no description available]low00isoxazoles;
nitroso compound;
sulfonamide		allergen;
metabolite
protosappanin a[no description available]low00catecholsmetabolite
3,3'-neotrehalosadiamine[no description available]low00amino disaccharide;
glycosyl glycoside derivative		antimicrobial agent;
metabolite
salvinorin a[no description available]low00organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen
cyanidin[no description available]low005-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
yakuchinone-a[no description available]low00ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
marsupsin[no description available]medium001-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite
6,6'-bieckol[no description available]medium00aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger
3-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
eckol[no description available]low00phlorotanninantioxidant;
metabolite
procyanidin b3[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite
aclacinomycin[no description available]low00aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite
phenylalanylarginine[no description available]low00dipeptidemetabolite
prolylarginine[no description available]low00dipeptidemetabolite
5-methoxytryptophan[no description available]low00L-alpha-amino acid zwitterion;
L-tryptophan derivative		metabolite
phenylalanylglutamate[no description available]low00dipeptidemetabolite
aspartylglycine[no description available]low00dipeptidemetabolite
aspartylglutamate[no description available]low00dipeptidemetabolite
5-hydroxypipecolic acid[no description available]low00piperidinemonocarboxylic acidmetabolite
prolyl-tyrosine[no description available]low00dipeptidemetabolite
histidylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
phenylalanyl-glycyl-glycine[no description available]low00tripeptidemetabolite
leucylarginine[no description available]low00dipeptidemetabolite
pendolmycin[no description available]low00indolesmetabolite
atractylenolide iii[no description available]low00naphthofuranmetabolite
malvidin[no description available]low005-hydroxyanthocyanidinbiological pigment;
metabolite
5-hydroxytryptoline[no description available]low00beta-carbolinesmetabolite
perlolyrine[no description available]low00organic molecular entitymetabolite
endocrocin[no description available]medium00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
sulochrin[no description available]low00benzophenones;
carboxylic ester;
phenols		metabolite
i-677[no description available]low00L-serine derivative;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite
isohomovanillic acid[no description available]medium00aromatic ether;
phenols;
phenylacetic acids		metabolite
4-amino-2-methoxypyrimidine[no description available]medium00aminopyrimidine;
aromatic ether;
methylcytosine		metabolite
asimilobine[no description available]low00aporphine alkaloidmetabolite
leukodopachrome[no description available]low00hydroxy monocarboxylic acid;
indoles		metabolite
ampelopsin[no description available]low00dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite
pinusolide[no description available]low00diterpene lactonemetabolite
2,4,5-trihydroxypentanoic acid gamma-lactone[no description available]low00ribonolactonemetabolite
hydroxysitosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid		metabolite;
plant metabolite
jolkinolide a[no description available]low00diterpene lactonemetabolite
jolkinolide b[no description available]low00diterpene lactonemetabolite
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine[no description available]low001-alkyl-sn-glycero-3-phosphocholine;
lysophosphatidylcholine O-16:0		metabolite
dopamine quinone[no description available]low001,2-benzoquinones;
primary amino compound		metabolite
platycodin d[no description available]low00triterpenoid saponinmetabolite
frenolicin b[no description available]low00benzoisochromanequinone;
p-quinones		metabolite
4-oxopentanal[no description available]low00ketoaldehydemetabolite
my 12-62c[no description available]low00monohydroxyquinoline;
quinolone		antibacterial agent;
iron chelator;
metabolite;
signalling molecule
3,4-dihydroxyphenylpyruvic acid[no description available]low002-oxo monocarboxylic acidmetabolite
proximadiol[no description available]low00eudesmane sesquiterpenoidmetabolite
phenylacetyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
taxusin[no description available]low00acetate ester;
carbotricyclic compound;
taxane diterpenoid		metabolite
confertin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite
beta-methylcrotonylglycine[no description available]low00N-acylglycinemetabolite
tracheloside[no description available]low00glycoside;
lignan		metabolite
maytenonic acid[no description available]low00triterpenoidmetabolite
procyanidin C1[no description available]low00hydroxyflavan;
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
3-methyleneindolenine[no description available]low00indolesmetabolite
isopulegol[no description available]low00p-menthane monoterpenoidmetabolite
kadsurin[no description available]low00tanninmetabolite
lysylproline[no description available]low00dipeptidemetabolite
5-o-methylembelin[no description available]low00enol ether;
monohydroxy-1,4-benzoquinones		antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite
dihydrodaidzein[no description available]low00hydroxyisoflavanonemetabolite
4'-o-methylepigallocatechin[no description available]low00catechinmetabolite
corynoline[no description available]medium00benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite
dichamanetin[no description available]low00diarylheptanoidmetabolite
brevianamide f[no description available]low00dipeptide;
indoles;
pyrrolopyrazine		metabolite
ergolide[no description available]low00acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite
4-sulfocatechol[no description available]low00dihydroxybenzenesulfonic acidmetabolite
histidylleucine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
7-methoxyheptaphylline[no description available]low00carbazolesmetabolite
phenylalanylserine[no description available]low00dipeptidemetabolite
phellamurin[no description available]low004'-hydroxyflavanones;
beta-D-glucoside;
dihydroflavonols;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		metabolite
prolylglutamic acid[no description available]low00dipeptidemetabolite
nantenine[no description available]low00oxoaporphine alkaloidmetabolite
hydrastine[no description available]low00isoquinolinesmetabolite
butyrylcarnitine[no description available]low00O-butanoylcarnitine;
saturated fatty acyl-L-carnitine		metabolite
aromaticin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite
n-methylcorydaldine[no description available]low00quinolonemetabolite
2-amino-3,3-dimethylbutanoic acid[no description available]low00non-proteinogenic alpha-amino acidmetabolite
pentabromopseudilin[no description available]low00pyrrolesmetabolite
rocaglamide[no description available]low00monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite
dentatin[no description available]low00coumarinsmetabolite
acronine[no description available]low00acridone derivatives;
alkaloid		antineoplastic agent;
metabolite
enmein[no description available]low00delta-lactonemetabolite
5-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite
pomolic acid[no description available]low00triterpenoidmetabolite
aglafoline[no description available]low00methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor
isomaltose[no description available]low00glycosylglucosehuman metabolite;
metabolite;
mouse metabolite
deoxyglucose[no description available]low002-deoxy-D-glucosemetabolite
vestitone[no description available]low00(3R)-2'-hydroxyisoflavanones;
hydroxyisoflavanone;
methoxyisoflavanone		antibacterial agent;
metabolite
pantetheine[no description available]low00pantetheines;
thiol		human metabolite;
metabolite;
mouse metabolite
n-formylmethionine[no description available]low00L-methionine derivative;
N-formyl amino acid;
proteinogenic amino acid		metabolite
fucose[no description available]low00deoxygalactosemetabolite
saponarin[no description available]low00C-glycosyl compound;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		metabolite
hippeastrine[no description available]low00delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite
cyanidin 3-o-beta-d-glucopyranoside[no description available]low00anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative		metabolite
silychristin[no description available]medium001-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger
peonidin[no description available]low005-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite
convallatoxin[no description available]low0014beta-hydroxy steroid;
19-oxo steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
steroid aldehyde;
steroid lactone		metabolite;
vasodilator agent
furostanol i[no description available]low00beta-D-glucoside;
cyclic hemiketal;
pentacyclic triterpenoid;
steroid saponin;
trisaccharide derivative		metabolite
decursinol[no description available]low00cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
abyssinone v[no description available]low004'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite
davidigenin[no description available]low00dihydrochalcones;
polyphenol		anti-allergic agent;
anti-asthmatic agent;
antioxidant;
metabolite
farrerol[no description available]low00organic molecular entitymetabolite
cleomiscosin a[no description available]medium00aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite
vicenin ii[no description available]low00C-glycosyl compound;
trihydroxyflavone		metabolite
eugeniin[no description available]low00beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
knipholone[no description available]low00aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite
alpha bitter acid[no description available]low00aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite
acanthoside b[no description available]low00beta-D-glucosidemetabolite
chlorpromazine n-oxide[no description available]low00organochlorine compound;
phenothiazines;
tertiary amine oxide		metabolite
3-hydroxyaspartic acid, (threo-l)-isomer[no description available]low003-hydroxy-L-aspartic acidmetabolite
cyclo(l-phe-l-pro)[no description available]low00organic molecular entitymetabolite
pyochelin[no description available]medium00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
surfactin c[no description available]low00cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant
petunidin-3-glucoside[no description available]medium00anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite
malvidin-3-glucoside[no description available]medium00anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite
dioncophylline a[no description available]low00biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthalenes		antifungal agent;
antimalarial;
metabolite;
molluscicide
dioncophylline c[no description available]medium00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite
aglucovancomycin b[no description available]low00cyclic ether;
heterodetic cyclic peptide;
peptide antibiotic;
peptide zwitterion;
polyphenol		metabolite
(S)-ATPA[no description available]low00isoxazoles;
non-proteinogenic L-alpha-amino acid		metabolite
epothilone a[no description available]low00epothilone;
epoxide		antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator
isoleucylvaline[no description available]low00dipeptidemetabolite
afimoxifene[no description available]low00phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
3-hydroxyhippuric acid[no description available]low00N-acylglycine;
phenols		metabolite
conidendrin[no description available]low00lignanmetabolite
bevirimat[no description available]medium00dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
azaserine[no description available]low00carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
16beta,17-dihydroxy-ent-kaurane-19-oic acid[no description available]low00bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite
glycyrin[no description available]medium00aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite
reynosin[no description available]low00organic heterotricyclic compound;
sesquiterpene lactone		metabolite
moronic acid[no description available]low00pentacyclic triterpenoidanti-HIV agent;
anti-HSV-1 agent;
metabolite
maltitol[no description available]low00alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent
Phe-Tyr[no description available]low00dipeptidemetabolite
2-acetyl-1-pyrroline[no description available]low00acylimine;
methyl ketone;
pyrroline		flavouring agent;
Maillard reaction product;
metabolite
methyl indole-3-carboxylate[no description available]low00indoles;
methyl ester		metabolite
camalexin[no description available]low001,3-thiazoles;
indole phytoalexin		metabolite
komaroviquinone[no description available]low00bridged compound;
lactol;
p-quinones;
tetracyclic diterpenoid		metabolite;
trypanocidal drug
2-hydroxycinnamic acid[no description available]low002-coumaric acid;
phenols		antioxidant;
metabolite
16-epivincamine[no description available]low00alkaloidmetabolite
diethyl fumarate[no description available]low00diestermetabolite
isoliquiritigenin[no description available]low00chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
1-acetyl-beta-carboline[no description available]low00harmala alkaloidmetabolite
propolin c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
xanthohumol[no description available]medium00aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
butylidenephthalide[no description available]low002-benzofurans;
gamma-lactone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hypoglycemic agent;
metabolite
malonyl coenzyme a[no description available]low00malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite
imidazol-1-ylacetic acid[no description available]low00imidazolyl carboxylic acidmetabolite
n-acetyltryptophan[no description available]low00L-tryptophan derivative;
N-acetyl-L-amino acid		metabolite
cinnamoylglycine[no description available]low00N-acylglycinemetabolite
n-benzoylalanine[no description available]low00N-acyl-L-alanine;
N-benzoylalanine		metabolite
isoferulic acid[no description available]low00ferulic acidsantioxidant;
biomarker;
metabolite
oxypeucadanin, (r)-(+)-isomer[no description available]low00furanocoumarinmetabolite
thiouracil[no description available]low00nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
allylthiourea[no description available]low00thioureasmetabolite
n-glycylalanine[no description available]low00dipeptidemetabolite
caryophyllene oxide[no description available]low00epoxidemetabolite
olivetolic acid[no description available]medium00benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite
hirsutine, (16e,20beta)-isomer[no description available]low00alkaloidmetabolite
Ganodermanontriol[no description available]low00triterpenoidmetabolite
dieckol[no description available]medium00aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger
glycylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
tamoxifen n-oxide[no description available]medium00aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite
7-deacetylgedunin[no description available]low00cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite
galactose-6-phosphate[no description available]low00D-galactose 6-phosphatemetabolite
nicotine n-glucuronide[no description available]low00iminium betaine;
N-glycosylpyridine		metabolite
isorhyncophylline[no description available]low00indolizinesmetabolite
cysteinylproline[no description available]low00dipeptidemetabolite
glycyllysine[no description available]low00dipeptidemetabolite
methionyltryptophan[no description available]low00dipeptidemetabolite
ascorbigen[no description available]low00indolyl carbohydratemetabolite
pimeloyl-coenzyme a[no description available]low00omega-carboxyacyl-CoAmetabolite
1-salicylate glucuronide[no description available]low00benzoic acids;
beta-D-glucosiduronic acid		metabolite
isoschaftoside[no description available]low00C-glycosyl compound;
trihydroxyflavone		metabolite
croomine[no description available]low00alkaloidmetabolite
3-hydroxyflavanone[no description available]low003'-hydroxyflavanones;
monohydroxyflavanone		metabolite
ungeremine[no description available]low00organic molecular entitymetabolite
seryl-proline[no description available]low00dipeptidemetabolite
4-hydroxy-5-methyl-3(2h)-furanone[no description available]low00cyclic ketone;
enol;
furans		metabolite
annomontine[no description available]low00alkaloid;
aminopyrimidine;
beta-carbolines		antiparasitic agent;
metabolite
8-hydroxymanzamine a[no description available]low00alkaloid;
beta-carbolines;
isoquinolines		anti-HSV-2 agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
metabolite
ginkgetin[no description available]low00biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
calceolarioside b[no description available]low00hydroxycinnamic acidmetabolite
eupatilin[no description available]low00dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
quercetin 3-o-glucuronide[no description available]low00beta-D-glucosiduronic acid;
quercetin O-glycoside		antidepressant;
antioxidant;
metabolite
australifungin[no description available]low00carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite
catechin gallate[no description available]low00flavans;
gallate ester;
polyphenol		metabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone[no description available]low00dimethoxyflavone;
trihydroxyflavone		EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
7,3'-dihydroxy-4'-methoxyisoflavone[no description available]low004'-methoxyisoflavones;
7-hydroxyisoflavones		antioxidant;
metabolite
vomifoliol[no description available]low00(6S)-vomifoliolmetabolite;
phytotoxin
feruloyltyramine[no description available]low00tyraminesmetabolite
luteolin-7-glucuronide[no description available]low00glycosyloxyflavone;
luteolin O-glucuronoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
chrysoeriol[no description available]low00monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite
quercetin 3-o-methyl ether[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		antimicrobial agent;
metabolite
dexmedetomidine[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
metabolite
6-ketoprostaglandin e1[no description available]low00prostaglandins Emetabolite;
platelet aggregation inhibitor
lipoxin a4[no description available]low00hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite
harmine[no description available]low00harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
naringenin chalcone[no description available]low00chalcones;
polyphenol		anti-allergic agent;
anti-inflammatory agent;
metabolite
cornexistin[no description available]low00cyclic dicarboxylic anhydride;
organic heterobicyclic compound;
secondary alpha-hydroxy ketone		herbicide;
metabolite
isobavachalcone[no description available]low00chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor
daphnoretin[no description available]medium00aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite
Rhynchophylline[no description available]low00indolizinesmetabolite
esculin[no description available]low00beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite
mammeisin[no description available]low00neoflavonoidmetabolite
ostruthin[no description available]low00terpene lactonemetabolite
costunolide[no description available]low00germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite
caryophyllene[no description available]low00beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug
phaseic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
apo carotenoid sesquiterpenoid		metabolite
agathisflavone[no description available]low00biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite
cupressuflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger
genkwanin[no description available]low00dihydroxyflavone;
monomethoxyflavone		metabolite
bellidifolin[no description available]low00polyphenol;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
metabolite
hinokiflavone[no description available]medium00aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent
euxanthone[no description available]low00phenols;
xanthones		metabolite;
plant metabolite
norswertianolin[no description available]low00beta-D-glucoside;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
swerchirin[no description available]medium00aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite
isoscutellarein[no description available]low00tetrahydroxyflavonemetabolite
kaempferide[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite
norwogonin[no description available]low00trihydroxyflavoneantioxidant;
metabolite
orientin[no description available]low003'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite
patuletin[no description available]low00flavonols;
monomethoxyflavone;
pentahydroxyflavone		analgesic;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
metabolite
robustaflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite
scutellarein[no description available]low00tetrahydroxyflavonemetabolite
tricetin[no description available]low00pentahydroxyflavoneantineoplastic agent;
metabolite
tricin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite
astringin[no description available]low00beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite
polydatin[no description available]low00beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
epsilon-viniferin[no description available]low001-benzofurans;
polyphenol;
stilbenoid		metabolite
irilone[no description available]low00hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite
licoisoflavone a[no description available]low007-hydroxyisoflavonesmetabolite
prunetin[no description available]low007-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
syringetin[no description available]low003',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone		metabolite;
platelet aggregation inhibitor
10-deoxymethynolide[no description available]low00macrolidemetabolite
4',7-dihydroxyflavone[no description available]low00dihydroxyflavonemetabolite
veronicastroside[no description available]low00disaccharide derivative;
glycosyloxyflavone;
neohesperidoside;
trihydroxyflavone		antibacterial agent;
metabolite
quercimeritrin[no description available]low00beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
metabolite
josamycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite
n,n-dimethylsphingenine[no description available]low00aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite
4-hydroxyestradiol[no description available]low004-hydroxy steroidmetabolite
9-hydroxy-10,12-octadecadienoic acid[no description available]low00HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite
9-oxo-10,12-octadecadienoic acid[no description available]low00enone;
oxooctadecadienoic acid		metabolite
13-oxo-9,11-octadecadienoic acid[no description available]low0013-oxo-9,11-octadecadienoic acid;
oxo fatty acid		metabolite
13,14-dihydro-15-ketoprostaglandin d2[no description available]low00prostaglandins Dmetabolite
15-keto-13,14-dihydroprostaglandin f2alpha[no description available]low00ketone;
prostaglandins Falpha		metabolite
2,3-dinor-6-ketoprostaglandin f1alpha[no description available]low004-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer[no description available]low003beta-sterolanti-HSV-1 agent;
antifungal agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
metabolite
calcifediol[no description available]low00D3 vitamins;
diol;
hydroxycalciol		bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical
oleyl alcohol[no description available]low00fatty alcohol 18:1;
long-chain primary fatty alcohol		metabolite;
nonionic surfactant
fortimicin a[no description available]low00amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound		antibacterial agent;
metabolite
3',4',7-trihydroxyisoflavone[no description available]low007-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
6,7,4'-trihydroxyisoflavone[no description available]low007-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist
15-deoxy-delta(12,14)-prostaglandin j2[no description available]low00prostaglandins Jelectrophilic reagent;
insulin-sensitizing drug;
metabolite
ciguatoxins[no description available]low00ciguatoxinmetabolite
12-hydroxy-5,8,10-heptadecatrienoic acid[no description available]low00hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
trienoic fatty acid		metabolite
clausine e[no description available]low00carbazolesmetabolite
ethyl caffeate[no description available]low00alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite
heptaphylline[no description available]low00carbazolesmetabolite
pellitorine[no description available]low00fatty amidemetabolite
isorhamnetin-3-o-galactoside[no description available]low00beta-D-galactoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
kaempferol-3-o-rutinoside[no description available]low00disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
ligustilide[no description available]low00butenolidemetabolite
7,4'-dihydroxy-3'-methoxyisoflavone[no description available]low007-hydroxyisoflavones;
methoxyisoflavone		antiplasmodial drug;
metabolite
sappanchalcone[no description available]low00catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite
methyl brevifolincarboxylate[no description available]low00cyclic 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
3-deoxysappanchalcone[no description available]low00chalcones;
monomethoxybenzene;
phenols		metabolite
nostocarboline[no description available]low00alkaloid;
beta-carbolines;
organic cation;
organochlorine compound		antimalarial;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite
ergosterol-5,8-peroxide[no description available]low003beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide[no description available]low00hydroxycinnamic acidmetabolite
macluraxanthone b[no description available]low00phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite
alternariol[no description available]low00benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin
cis-3-hexenyl acetate[no description available]low00acetate ester;
olefinic compound		metabolite
pipercallosidine[no description available]low00alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite
7-hydroxyisoflavone[no description available]low007-hydroxyisoflavonesEC 1.14.14.14 (aromatase) inhibitor;
metabolite
flazin[no description available]low00harmala alkaloidmetabolite
11-hydroxynoracronycine[no description available]low00acridinesmetabolite
jaceosidin[no description available]low00dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite
5,7,3'-trihydroxy-3,4'-dimethoxyflavone[no description available]low00dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite
artocarpin lectin[no description available]low00monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite
fumarates[no description available]low00butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
1,7-dihydroxy-4-methoxyxanthone[no description available]medium00aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite
demethoxycurcumin[no description available]low00beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite
bergamottin[no description available]low00furanocoumarinmetabolite
alanyl-alanyl-alanine[no description available]low00tripeptidemetabolite
24-ethyl-4-cholesten-3-one[no description available]low00C29-steroid;
steroid		metabolite
myricetin 3-o-glucuronide[no description available]low00monosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone		metabolite
phenylalanylalanine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
alpinumisoflavone[no description available]low00isoflavanonesmetabolite
alpha-aspartylalanine[no description available]low00dipeptidemetabolite
arglabin[no description available]medium00epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite
ap 10[no description available]low00diterpene lactonemetabolite
quercetin 7-rhamnoside[no description available]low00alpha-L-rhamnoside;
flavonols;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		metabolite
albonoursin[no description available]low002,5-diketopiperazinesmetabolite
oroidin[no description available]low00pyrroles;
secondary carboxamide		metabolite
apratoxin a[no description available]low001,3-thiazoles;
apratoxin		antineoplastic agent;
metabolite
(-)-catechin-3-O-gallate[no description available]low00flavans;
gallate ester;
polyphenol		metabolite
aspartyllysine[no description available]low00dipeptidemetabolite
arginyllysine[no description available]low00dipeptidemetabolite
hygromycin a[no description available]low00hydroxycinnamic acidmetabolite
falcarindiol[no description available]low00organic molecular entitymetabolite
dehydroergosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		biomarker;
metabolite
n-oleoylglycine[no description available]low00fatty amide;
N-acylglycine 18:1		metabolite
rhizoxin[no description available]low001,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
metabolite
concanamycin a[no description available]low00carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid[no description available]low00enoate ester;
methyl ester;
monocarboxylic acid amide		metabolite
thunberginol f[no description available]low00catechols;
gamma-lactone;
isobenzofuranone		metabolite;
plant metabolite
pyracrenic acid[no description available]low00triterpenoidmetabolite
eicosa-11,14-dienoic acid, (z,z)-isomer[no description available]low00icosadienoic acidmetabolite
yuanhuadine[no description available]low00diterpenoidmetabolite
tiglylglycine[no description available]low00N-acylglycinemetabolite
rhodiocyanoside a[no description available]low00aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite
(2E,4E)-N-isobutyl-2,4-dodecadienamide[no description available]low00fatty amidemetabolite
mycothiazole[no description available]low00thiazolesmetabolite
13-oxo-9,11-octadecadienoic acid[no description available]low0013-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite
linderalactone[no description available]low00butenolidemetabolite
pros-methylimidazoleacetic acid[no description available]low00imidazolyl carboxylic acidmetabolite
cellobionic acid[no description available]low00carbohydrate acid;
disaccharide		metabolite
pseudopteroxazole[no description available]low00tetralinsmetabolite
sophoraflavanone a[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
antineoplastic agent;
metabolite
panduratin a[no description available]low00diarylheptanoidmetabolite
stigmasterol 3-o-beta-d-glucopyranoside[no description available]low00beta-D-glucoside;
monosaccharide derivative;
phytosterols;
steroid saponin		metabolite
17-hydroxyjolkinolide b[no description available]low00diterpene lactonemetabolite
corosolic acid[no description available]low00triterpenoidmetabolite
cyclo(prolyl-valyl)[no description available]low00piperazinonemetabolite
phenylalanylglycine[no description available]low00dipeptidemetabolite
leucyl-phenylalanine[no description available]low00dipeptidemetabolite
glutamylalanine[no description available]low00dipeptidemetabolite
glutaminyl-glycine[no description available]low00dipeptidemetabolite
methionylglycine[no description available]low00dipeptidemetabolite
valylleucine[no description available]low00dipeptidemetabolite
phenylalanyl-valine[no description available]low00dipeptidemetabolite
cyclo(glycyltryptophyl)[no description available]low00indolesmetabolite
alanylglycine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
valyltyrosine[no description available]low00dipeptidemetabolite
alpha-glutamyltryptophan[no description available]low00dipeptidemetabolite
lysylglutamic acid[no description available]low00dipeptidemetabolite
methionylglutamic acid[no description available]low00dipeptidemetabolite
seryl-histidine[no description available]low00dipeptidemetabolite
arginyl-glutamine[no description available]low00dipeptidemetabolite
phenylalanylproline[no description available]low00dipeptidemetabolite
lysylglycine[no description available]low00dipeptidemetabolite
glycylhistidine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
kopsinine[no description available]low00indole alkaloidmetabolite
cyclo(leucyl-phenylalanyl)[no description available]low002,5-diketopiperazinesmetabolite
prolylisoleucine[no description available]low00dipeptidemetabolite
isoleucyl-tyrosine[no description available]low00dipeptidemetabolite
prolyl-serine[no description available]low00dipeptidemetabolite
grayanotoxin i[no description available]low00acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid		antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin
19-norandrosterone[no description available]low0017-oxo steroidmetabolite
s-allylcysteine[no description available]low00L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine		antineoplastic agent;
metabolite
oleandrigenin[no description available]low0014beta-hydroxy steroid;
3beta-hydroxy steroid;
steroid ester		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
valyl-prolyl-proline[no description available]low00tripeptidemetabolite
prolylvaline[no description available]low00dipeptidemetabolite
palbinone[no description available]low0016-oxo steroidmetabolite
pseurotin[no description available]low00azaspiro compound;
lactam;
oxaspiro compound		metabolite
xenovulene a[no description available]medium00cyclic ether;
enone;
organic heterotetracyclic compound;
sesquiterpenoid		GABA antagonist;
metabolite
fr 148083[no description available]medium00aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
LL-Z1640-1[no description available]low00macrolide;
resorcinols		metabolite
9-methoxycanthin-6-one[no description available]medium00aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite
n-acetylcarnosine[no description available]low00dipeptidemetabolite
cholest-5-en-3-one[no description available]low003-oxo-Delta(5)-steroid;
cholestanoid		metabolite
kaempferol 3-O-beta-L-glucopyranoside[no description available]low00beta-L-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
rubraxanthone[no description available]medium00aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite
ubiquinol[no description available]low00polyprenylhydroquinone;
ubiquinol		biomarker;
metabolite
landomycin a[no description available]low00oligosaccharidemetabolite
ancistroealaine a[no description available]medium00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug
cerberin[no description available]low00acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite
actein[no description available]low00triterpenoidmetabolite
araloside a[no description available]low00triterpenoid saponinmetabolite
ageladine a[no description available]low00alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite
corynoxine b[no description available]low00indolizinesmetabolite
kaempferol 7-o-glucoside[no description available]low00beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
delphinidin 3-sambubioside[no description available]low00anthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite
nodosin[no description available]low00delta-lactonemetabolite
protylonolide[no description available]low00diol;
enone;
macrolide		metabolite
arisugacin[no description available]medium00aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
nymphaeol c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
thonningianin a[no description available]low00tanninmetabolite
cephalostatin i[no description available]low00oxo steroidmetabolite
papyriflavonol a[no description available]low003'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone		EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite
lactonamycin[no description available]low00gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite
myrsinoic acid b[no description available]medium001-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite
betulone[no description available]low00triterpenoidmetabolite
eckstolonol[no description available]low00organic heteropentacyclic compound;
oxacycle;
phlorotannin		metabolite;
radical scavenger
manassantin b[no description available]low00benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite
gitaloxin[no description available]low00cardenolide glycosidemetabolite
paeonilide[no description available]low00benzoate estermetabolite
dihydroxanthohumol[no description available]medium00aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
corynoxine[no description available]low00indolizinesmetabolite
7-phloroeckol[no description available]medium00aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside[no description available]low00beta-D-glucoside;
dimethoxybenzene;
lignan;
monosaccharide derivative;
polyphenol;
primary alcohol;
tetralins		antibacterial agent;
antifungal agent;
metabolite
Sphaeropsidin C[no description available]low00tricyclic diterpenoidmetabolite
kelampayoside a[no description available]low00glycosidemetabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside[no description available]medium00aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite
2,3-dihydro-3beta-methoxy withaferin A[no description available]low0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite
nigranoic acid[no description available]low00dicarboxylic acid;
tetracyclic triterpenoid		antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite
esculeoside a[no description available]low00azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin		antineoplastic agent;
metabolite
aerothionin[no description available]low00isoxazolesmetabolite
artemisic acid[no description available]medium00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite
26-deoxyactein[no description available]low00triterpenoidmetabolite
5-formylcytosine[no description available]low00aminopyrimidine;
heteroarenecarbaldehyde;
nucleobase analogue;
pyrimidone		metabolite
migrastatin[no description available]low00ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite
Lyngbic acid[no description available]low00long-chain fatty acidmetabolite
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one[no description available]low00polyphenol;
xanthones		anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite
bielschowskysin[no description available]medium00acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite
procyanidin b1[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite
cyclo(tyrosyl-tyrosyl)[no description available]low00cyclo(tyrosyl-tyrosyl)metabolite
spiculoic acid a[no description available]low00carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes		antineoplastic agent;
metabolite
myrocin a[no description available]low00tertiary alcoholmetabolite
3'-o-methylepicatechin[no description available]low00catechinmetabolite
episilvestrol[no description available]low00dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
protopanaxatriol[no description available]low0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
sapogenin;
tetracyclic triterpenoid		metabolite
laurinterol[no description available]low00organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
Pseudopterosin G-J aglycone[no description available]low00diterpenoidmetabolite
ceratamine a[no description available]medium00alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite
liphagal[no description available]medium00aldehyde;
cyclic ether;
meroterpenoid;
organic heterotetracyclic compound;
polyphenol		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
metabolite
pulsatilla saponin d[no description available]low00triterpenoidmetabolite
diversonol[no description available]low00phenols;
tertiary alcohol		antibacterial agent;
metabolite
neotuberostemonine[no description available]low00alkaloidmetabolite
drymaritin[no description available]medium00enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound		anti-HIV agent;
metabolite
lyoniresinol[no description available]low00dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		antineoplastic agent;
metabolite
silvestrol[no description available]low00dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
ginsenoside ro[no description available]low00triterpenoid saponinmetabolite
diosgenin glucoside[no description available]low00hexacyclic triterpenoid;
monosaccharide derivative;
spiroketal;
sterol 3-beta-D-glucoside		metabolite
pyripyropene a[no description available]medium00organic heterotetracyclic compound;
sesquiterpenoid		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
metabolite
3-epioleanolic acid[no description available]low00triterpenoidmetabolite
leucylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
R-(-)-actinodaphnine[no description available]low00aporphine alkaloidmetabolite
cytotrienin a[no description available]low00cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
methylamphotericin b[no description available]low00macrolide;
methyl ester;
monosaccharide derivative		antifungal agent;
antiinfective agent;
metabolite
2'-methoxykurarinone[no description available]low004'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone		antineoplastic agent;
metabolite
verproside[no description available]low00glycosidemetabolite
verminoside[no description available]low00hydroxycinnamic acidmetabolite
minecoside[no description available]low00hydroxycinnamic acidmetabolite
(R)-(+)-6',7'-dihydroxybergamottin[no description available]low00furanocoumarinmetabolite
lapidilectine b[no description available]low00indolyl carboxylic acidmetabolite
batzelladine a[no description available]low00alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite
alloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
longipinene[no description available]low00alpha-longipinenemetabolite
parkeol[no description available]low003beta-hydroxy-4,4-dimethylsteroid;
3beta-sterol;
tetracyclic triterpenoid		metabolite
rutundic acid[no description available]low00triterpenoidmetabolite
a-factor (streptomyces)[no description available]low00butan-4-olide;
primary alcohol		metabolite
taraxasteryl acetate[no description available]low00triterpenoidmetabolite
chikusetsu saponin iva[no description available]low00triterpenoid saponinmetabolite
xestoaminol c[no description available]low00amino alcohol;
sphingoid		metabolite
malyngamide A[no description available]low00dicarboximidemetabolite
simalikalactone D[no description available]low00cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite
friedelane[no description available]low00triterpenemetabolite
shamixanthone[no description available]low00cyclic ketone;
phenols;
pyranoxanthene		metabolite
17,18-epoxy-5,8,11,14-eicosatetraenoic acid[no description available]low00EpETEmetabolite
chaetominine[no description available]medium00indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite
schweinfurthin g[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite
salmon calcitonin[no description available]low00heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite
complestatin[no description available]low00cyclic ether;
heterodetic cyclic peptide;
indoles;
organic heterobicyclic compound;
organochlorine compound;
peptide antibiotic;
polyphenol		anti-HIV-1 agent;
antimicrobial agent;
HIV-1 integrase inhibitor;
metabolite
neuroprotectin a[no description available]low00cyclic ether;
heterodetic cyclic peptide;
indoles;
organochlorine compound;
polyphenol		HIV-1 integrase inhibitor;
metabolite
alx-0600[no description available]low00polypeptideantioxidant;
glucagon-like peptide-2 receptor agonist;
metabolite;
protective agent
schweinfurthin f[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		metabolite
antrocamphin a[no description available]low00methoxybenzenesanti-inflammatory agent;
metabolite
respirantin[no description available]low00benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite
streptobiosamine[no description available]low00amino disaccharidemetabolite
interiotherin b[no description available]medium00aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite
succinyladenosine[no description available]low00adenosines;
amino dicarboxylic acid;
L-aspartic acid derivative		metabolite
6-tuliposide a[no description available]low006-O-acyl-D-glucose;
homoallylic alcohol		allergen;
metabolite
glycochenodeoxycholate-3-sulfate[no description available]low007alpha-hydroxy steroid;
bile acid glycine conjugate;
steroid sulfate		metabolite
wewakazole[no description available]low00cyclic peptidemetabolite
spongia-13(16),14-dien-19-oic acid[no description available]medium00cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite
Icariside E4[no description available]low00benzofuransmetabolite
lucidenic acid n[no description available]low00cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite
dihydroagarofuran[no description available]low00bridged compound;
cyclic ether;
eudesmane sesquiterpenoid;
organic heterotricyclic compound		metabolite
23-epi-26-deoxyactein[no description available]low00triterpenoidmetabolite
23-hydroxybetulinic acid[no description available]low00triterpenoidmetabolite
(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[no description available]low00diterpenoidmetabolite
bromophycolide a[no description available]low00diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite
2-acetamidoglucal[no description available]low00acetamides;
glycal derivative		metabolite
diorcinol[no description available]medium00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
caribenol a[no description available]medium00organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite
halisulfate 1[no description available]low00organic molecular entitymetabolite
6-O-feruloylcatalpol[no description available]low00hydroxycinnamic acidmetabolite
grassypeptolide[no description available]low00cyclodepsipeptide;
macrocycle		antineoplastic agent;
metabolite
essramycin[no description available]low00triazolopyrimidinesmetabolite
ainsliadimer a[no description available]low00sesquiterpene lactone;
spiro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
salvileucalin b[no description available]low00bridged compound;
diterpenoid;
furans;
gamma-lactone		antineoplastic agent;
metabolite
ciliatamide a[no description available]low00caprolactams;
lipopeptide		antileishmanial agent;
metabolite
etnangien[no description available]low00hydroxy monocarboxylic acid;
macrolide antibiotic		antibacterial agent;
metabolite
latrunculol a[no description available]low00macrolidemetabolite
N-trans-sinapoyltyramine[no description available]low00hydroxycinnamic acidmetabolite
lycojapodine a[no description available]medium00alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
epi-maslinic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
eoxin c4[no description available]low00eoxin;
leukotriene		metabolite
brartemicin[no description available]low00benzoate ester;
glycosyl glycoside derivative;
resorcinols		antimicrobial agent;
metabolite
Majusculamide AB[no description available]low00amino acid amidemetabolite
7,8-dihydroxyflavanone[no description available]low00dihydroxyflavanoneantineoplastic agent;
metabolite
antcin a[no description available]low00ergostanoidmetabolite
integric acid[no description available]low00carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid		HIV-1 integrase inhibitor;
metabolite
vanilloloside[no description available]low00glycosidemetabolite
2,3-dihydro-3beta-O-sulfate withaferin A[no description available]low0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
steroid sulfate;
withanolide		antineoplastic agent;
metabolite;
plant metabolite
dicranin[no description available]low00acetylenic 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
leachianone a[no description available]low004'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antimalarial;
antineoplastic agent;
metabolite
hordatine a[no description available]medium00aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite
englerin a[no description available]low00cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite
monanchocidin[no description available]low00organic molecular entitymetabolite
eurycomanone[no description available]low00cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite
sphaeropsidin a[no description available]low00gamma-lactonemetabolite
gardenoside[no description available]low00beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite
landomycin d[no description available]low00anthraquinonemetabolite
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]medium0011-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite
antcin k[no description available]low00bile acidmetabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]medium0011-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist
shizukaol B[no description available]low00triterpenoidmetabolite
shizukaol f[no description available]low00triterpenoidmetabolite
calicheamicin gamma(1)i[no description available]low00calicheamicin;
enediyne antibiotic;
organoiodine compound		antineoplastic agent;
metabolite
staphyloxanthin[no description available]low00apo carotenoid triterpenoid;
D-aldohexose derivative;
fatty acid ester;
triol;
xanthophyll		antioxidant;
biological pigment;
metabolite;
virulence factor
sm 1 peptide[no description available]low00acetate ester;
ergot alkaloid		metabolite
mycocyclosin[no description available]medium002,5-diketopiperazines;
organic heterotetracyclic compound;
polyphenol		metabolite
callipeltin a[no description available]low00cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite
vinylamycin[no description available]low00cyclodepsipeptide;
macrocycle;
primary alcohol		antibacterial agent;
antimicrobial agent;
metabolite
promegestone[no description available]low00terpene lactonemetabolite
lancifodilactone g[no description available]low00cyclic ether;
diol;
enol;
gamma-lactone;
oxaspiro compound;
triterpenoid		anti-HIV agent;
metabolite
rediocide a[no description available]low00diterpenoid;
epoxide;
ortho ester;
terpene lactone		insecticide;
metabolite
lasiokaurin[no description available]low00kaurane diterpenoidmetabolite
longikaurin a[no description available]low00kaurane diterpenoidmetabolite
ponicidin[no description available]low00dioxanesmetabolite
(Z)-6,6',7,3'a-Diligustilide[no description available]low00butenolidemetabolite
suvanine[no description available]low00organic molecular entitymetabolite
shizukaol d[no description available]low00triterpenoidmetabolite
thailandepsin a[no description available]low00cyclodepsipeptidemetabolite
nordidemnin b[no description available]low00didemninmetabolite
4-formylaminooxyvinylglycine[no description available]low00non-proteinogenic alpha-amino acidmetabolite
platycoside e[no description available]low00triterpenoid saponinmetabolite
leuconoxine[no description available]low00alkaloidmetabolite
epidermin[no description available]low00macrocycle;
type A lantibiotic		antibacterial agent;
metabolite
surfactin A[no description available]low00cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant
myriaporone 3[no description available]low00beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite
avenacoside b[no description available]low00beta-D-glucoside;
hexacyclic triterpenoid;
spiroketal;
steroid saponin;
tetrasaccharide derivative		metabolite
3-methylglutarylcarnitine[no description available]low00O-methylglutarylcarnitinemetabolite
pivaloylcarnitine[no description available]low00C5-acylcarnitinemetabolite
levoleucovorin[no description available]low005-formyltetrahydrofolic acidantineoplastic agent;
metabolite
7,8-dihydroneopterin[no description available]low00dihydropterin;
neopterins		Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
guanosine monophosphate[no description available]low00guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine[no description available]low00methyl ketone;
pyrimidodiazepine		metabolite
dyspropterin[no description available]low00biopterins;
tetrahydropterin		human metabolite;
metabolite;
mouse metabolite
2'-o-methylguanosine[no description available]low00methylguanosinemetabolite
allopurinol riboside[no description available]low00nucleoside analoguemetabolite
norclozapine[no description available]low00dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
7-methylguanosine[no description available]low00methylguanosine;
organic cation		metabolite
3'-o-methylguanosine[no description available]low00methylguanosinemetabolite
primapterin[no description available]low00biopterinsmetabolite
7-methylinosine[no description available]low00inosines;
organic cation		metabolite
marineosin a[no description available]low00azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite
marineosin b[no description available]low00azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite
dihydro-3-coumaric acid[no description available]low00monocarboxylic acidEscherichia coli metabolite;
human xenobiotic metabolite
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
aminooxyacetic acid[no description available]low00amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
4-oxo-4-(3-pyridyl)butanoic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
pyridines
phosphonoacetic acid[no description available]low00monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
5,6-dihydroorotate[no description available]low00monocarboxylic acid;
N-acylurea;
pyrimidinemonocarboxylic acid;
secondary amide
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
phosphoenolpyruvate[no description available]low00carboxyalkyl phosphate;
monocarboxylic acid		fundamental metabolite
4-(2,4-dichlorophenoxy)butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin
homovanillic acid[no description available]low00guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
acemetacin[no description available]low00carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
alminoprofen[no description available]low00amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
alpha-methyl-m-tyrosine[no description available]low00monocarboxylic acid
baclofen[no description available]low00amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
bendazac[no description available]low00indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
metrizoate[no description available]low00monocarboxylic acidradioopaque medium
carbidopa[no description available]low00benzenes;
monocarboxylic acid
cetirizine[no description available]low00ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
cetraxate[no description available]low00benzenes;
monocarboxylic acid
chrysanthemic acid[no description available]low00cyclopropanes;
monocarboxylic acid		plant metabolite
ciprofibrate[no description available]low00cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clofibric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
enoxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
etodolac[no description available]low00monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
4-biphenylylacetic acid[no description available]low00biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
fenoprofen[no description available]low00monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fleroxacin[no description available]low00difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
ici 204448[no description available]low00monocarboxylic acid
indoprofen[no description available]low00gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
iopanoic acid[no description available]low00monocarboxylic acid
ketorolac[no description available]low00amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
loxoprofen[no description available]low00cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
meclofenoxate[no description available]low00monocarboxylic acid
sarkolysin[no description available]low00monocarboxylic acid
mesalamine[no description available]low00amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
3-Hydroxy-alpha-methyl-DL-tyrosine[no description available]low00benzenes;
monocarboxylic acid
oxonic acid[no description available]low001,3,5-triazines;
monocarboxylic acid
oxyphencyclimine[no description available]low00monocarboxylic acid
4-phenylbutyric acid[no description available]low00monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pipemidic acid[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piromidic acid[no description available]low00monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor
SU5402[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		fibroblast growth factor receptor antagonist
suprofen[no description available]low00aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
suxibuzone[no description available]low00hemisuccinate;
monocarboxylic acid;
pyrazolidines		antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug
tiaprofenic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
tolmetin[no description available]low00aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
tosufloxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound
tyropanoate[no description available]low00benzenes;
monocarboxylic acid
zomepirac[no description available]low00aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
dichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
bis(p-chlorophenyl)acetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes
2-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		human xenobiotic metabolite
mecoprop[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes
fenoprop[no description available]low00monocarboxylic acidphenoxy herbicide
piperonylic acid[no description available]low00aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary
2-methyl-4-chlorophenoxy gamma-butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic
iophenoxic acid[no description available]low00benzenes;
monocarboxylic acid
2-methylvaleric acid[no description available]low00branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid		flavouring agent;
fragrance;
plant metabolite
cyclohexanecarboxylic acid[no description available]low00monocarboxylic acid
diphenylacetic acid[no description available]low00monocarboxylic acidxenobiotic metabolite
dichlorprop[no description available]low00aromatic ether;
dichlorobenzene;
monocarboxylic acid
amprotropine[no description available]low00monocarboxylic acid
cyanoacetic acid[no description available]low00monocarboxylic acid
difluoroacetic acid[no description available]low00monocarboxylic acid;
organofluorine compound
hydantoic acid[no description available]low00monocarboxylic acid;
N-acylglycine;
ureas		rat metabolite;
xenobiotic metabolite
abietic acid[no description available]low00abietane diterpenoid;
monocarboxylic acid		plant metabolite
4-carboxybenzaladehyde[no description available]low00benzaldehydes;
benzoic acids;
monocarboxylic acid		plant metabolite
dibromoacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid		apoptosis inducer;
geroprotector;
marine metabolite
hadacidin[no description available]low00aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
3-hydroxypicolinic acid[no description available]low00monocarboxylic acid;
monohydroxypyridine		MALDI matrix material
dihydroferulic acid[no description available]low00guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
ibufenac[no description available]low00monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cyclopropanecarboxylic acid[no description available]low00cyclopropanes;
monocarboxylic acid
(4-tert-Butyl-phenoxy)-acetic acid[no description available]low00monocarboxylic acid
3-methoxyphenylacetic acid[no description available]low00monocarboxylic acid
4-chlorophenylacetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes		xenobiotic metabolite
4-hydroxyphenoxyacetic acid[no description available]low00monocarboxylic acid
5-phenylvaleric acid[no description available]low00benzenes;
monocarboxylic acid
2-(4-chlorophenoxy)propionic acid[no description available]low00monocarboxylic acidphenoxy herbicide
bumadizone[no description available]low00carbohydrazide;
monocarboxylic acid		antipyretic;
non-steroidal anti-inflammatory drug
phenoxyacetic acid[no description available]low00aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
nafenopin[no description available]low00aromatic ether;
monocarboxylic acid
3-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		antibacterial agent;
bacterial xenobiotic metabolite
ochratoxin b[no description available]low00isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite
cyclohexaneacetic acid[no description available]low00monocarboxylic acid
6-methoxy-2-naphthylacetic acid[no description available]low00methoxynaphthalene;
monocarboxylic acid		drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite
7-aminodesacetoxycephalosporanic acid[no description available]low00cephalosporin;
monocarboxylic acid
carbidopa[no description available]low00catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
carbidopa[no description available]low00catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
ticrynafen[no description available]low00aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid[no description available]low00aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid
bezafibrate[no description available]low00aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
lonidamine[no description available]low00dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]low00chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
triclopyr[no description available]low00aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
acifluorfen[no description available]low00aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid[no description available]low00aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic
haloxyfop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines
pefloxacin[no description available]low00fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
imazaquin[no description available]low00imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid
difloxacin[no description available]low00fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
Mycoplasma genitalium metabolite
brequinar[no description available]low00biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
adapalene[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
fenofibric acid[no description available]low00aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
salvin[no description available]low00abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
tetraiodothyroacetic acid[no description available]low002-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone
etofibrate[no description available]low00monocarboxylic acid
fradafiban[no description available]low00carboxamidine;
monocarboxylic acid;
pyrrolidin-2-ones		platelet glycoprotein-IIb/IIIa receptor antagonist
phenylacetylglycine[no description available]low00monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse metabolite
lonazolac[no description available]low00monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
miroprofen[no description available]low00imidazopyridine;
monocarboxylic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
flunoxaprofen[no description available]low001,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
tianeptine[no description available]low00dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
binifibrate[no description available]low00monocarboxylic acid
5-imidazolepropionic acid[no description available]low00imidazoles;
monocarboxylic acid
gr 117289[no description available]low001-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles		angiotensin receptor antagonist;
antihypertensive agent
alborixin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
oxolanes;
polyether antibiotic		ionophore
3-(3,4-dimethoxyphenyl)propanoic acid[no description available]low00dimethoxybenzene;
monocarboxylic acid
n-methylhippuric acid[no description available]low00monocarboxylic acid;
N-acylglycine		EC 1.1.1.21 (aldehyde reductase) inhibitor
6-carboxyfluorescein[no description available]low00monocarboxylic acid
4-(2-thienyl)butyric acid[no description available]low00monocarboxylic acid;
thiophenes		hapten
3-(trimethylsilyl)propionic acid[no description available]low00monocarboxylic acid;
organosilicon compound		NMR chemical shift reference compound
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid[no description available]low00benzenes;
monocarboxylic acid
ritalinic acid[no description available]low00monocarboxylic acid;
piperidines		drug metabolite;
marine xenobiotic metabolite
indole-1-acetic acid[no description available]low00indolyl carboxylic acid;
monocarboxylic acid
(1-hydroxycyclopentyl)phenylacetic acid[no description available]low00monocarboxylic acid;
tertiary alcohol
fluazifop[no description available]low00aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines
quinclorac[no description available]low00monocarboxylic acid;
organochlorine compound;
quinolinemonocarboxylic acid		agrochemical;
herbicide;
synthetic auxin
gypsogenin[no description available]low00aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
beta-hydroxyphenylpropionic acid[no description available]low003-hydroxy carboxylic acid;
monocarboxylic acid
salicylamide-2-acetic acid[no description available]low00monocarboxylic acid
2,6-dichloroisonicotinic acid[no description available]low00monocarboxylic acid;
organochlorine compound;
pyridines		EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor
1-phenazinecarboxylic acid[no description available]low00aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite
2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid[no description available]low00imidothioate;
monocarboxylic acid
alpha-methylphenylalanine[no description available]low00benzenes;
monocarboxylic acid
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
bw 245c[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol
piscidic acid[no description available]low00benzenes;
monocarboxylic acid
mitiglinide[no description available]low00benzenes;
monocarboxylic acid
4-carboxyfluorescein[no description available]low00monocarboxylic acidfluorochrome
vadimezan[no description available]low00monocarboxylic acid;
xanthones		antineoplastic agent
ectoine[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
monocarboxylic acid;
zwitterion		osmolyte
chrysobactin[no description available]low00catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound		bacterial metabolite;
siderophore
cd 437[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
agn 190299[no description available]low00monocarboxylic acid;
pyridines;
retinoid;
thiochromane		keratolytic drug;
teratogenic agent
3-bromotyrosine[no description available]low00monocarboxylic acid
cox 189[no description available]low00amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
naproxen[no description available]low00methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
clofibride[no description available]low00monocarboxylic acid
carbazic acid[no description available]low00monocarboxylic acid;
one-carbon compound
3,5-diiodothyropropionic acid[no description available]low00aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
3,5-dihydroxyphenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid
acetyl aleuritolic acid[no description available]low00acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite
fukiic acid[no description available]low00benzenes;
monocarboxylic acid
delta-1-piperidine-6-carboxylic acid[no description available]low00monocarboxylic acid;
tetrahydropyridine		mammalian metabolite
3-hydroxy-5-cholestenoic acid[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid		bacterial metabolite
enrasentan[no description available]low00aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist
quizalofop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative
9-mercaptodethiobiotin[no description available]low00imidazolidinone;
monocarboxylic acid;
thiol;
ureas		Escherichia coli metabolite
proclavaminic acid[no description available]low00amino acid zwitterion;
azetidines;
monocarboxylic acid
orantinib[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
deferasirox[no description available]low00benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
sandaracopimaric acid[no description available]low00monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid		plant metabolite
7-methoxycoumarin-4-acetic acid[no description available]low00monocarboxylic acidfluorochrome
monensin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore
isopimaric acid[no description available]low00carbotricyclic compound;
diterpenoid;
monocarboxylic acid
nanaomycin a[no description available]low00benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones		bacterial metabolite
theogallin[no description available]low00gallate ester;
monocarboxylic acid;
tertiary alcohol
bispyribac[no description available]low00aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide
yersiniabactin[no description available]low00monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore
mupirocin[no description available]low00alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
gw 409544[no description available]low00monocarboxylic acid
steviol[no description available]low00bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent
neurosporaxanthin[no description available]low00apo carotenoid C35 terpenoid;
monocarboxylic acid
canrenoic acid[no description available]low003-oxo-Delta(4) steroid;
monocarboxylic acid;
steroid acid
dexketoprofen[no description available]low00benzophenones;
monocarboxylic acid		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester[no description available]low00monocarboxylic acid
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
sulindac[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
epalrestat[no description available]low00monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester[no description available]low00monocarboxylic acid
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester[no description available]low00monocarboxylic acid
2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester[no description available]low00monocarboxylic acid
2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid[no description available]low00benzenes;
monocarboxylic acid
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
helvolic acid[no description available]low003-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin
6-oxopiperidine-2-carboxylate[no description available]low00delta-lactam;
monocarboxylic acid		bacterial metabolite
3-sulfinopropionic acid[no description available]low00monocarboxylic acid;
organosulfinic acid
amibegron[no description available]low00monocarboxylic acid
ifetroban[no description available]low00benzenes;
monocarboxylic acid
chuangxinmycin[no description available]low00indole alkaloid;
monocarboxylic acid;
thiinoindole		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
2-oxindole-3-acetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid;
oxindoles		plant metabolite
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine[no description available]low00adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid		adenosine A2A receptor agonist;
anti-inflammatory agent
3-phenyl-3-(1-tetrazolyl)propanoic acid[no description available]low00benzenes;
monocarboxylic acid
gw 7647[no description available]low00aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
clopidogrel carboxylic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid[no description available]low00gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone
2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
sm 21[no description available]low00monocarboxylic acid
2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
montelukast[no description available]low00aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
sofalcone[no description available]low00aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
16,16-dimethylprostaglandin e2[no description available]low00cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent
iloprost[no description available]low00carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
rosmarinic acid[no description available]low00carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
13,14-dihydroretinoic acid[no description available]low00monocarboxylic acid;
retinoid
sulindac sulfide[no description available]low00aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
lasalocid[no description available]low00beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore
sulindac sulfone[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
clodinafop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide
robenacoxib[no description available]low00aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
sdz eaa 494[no description available]low00monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist
valerenic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component
ici 215001[no description available]low00monocarboxylic acid
beraprost[no description available]low00enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
gemifloxacin[no description available]low001,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
brl 37344[no description available]low00monocarboxylic acid
cp533536[no description available]low00monocarboxylic acid
mre 269[no description available]low00aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent
gw0742[no description available]low00monocarboxylic acid
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid[no description available]low0011-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
ki16425[no description available]low00carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide
triptohypol C[no description available]low00benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite
tafamidis[no description available]low001,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid		central nervous system drug
dihydroartemisinic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		plant metabolite
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
pyrostatin a[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol
roburic acid[no description available]low00monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid		plant metabolite
imidazoleacetic acid ribotide[no description available]low00imidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate
vanchrobactin[no description available]low00catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol		bacterial metabolite;
marine metabolite;
siderophore
cathestatin b[no description available]low00dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
germacra-1(10),4,11(13)-trien-12-oic acid[no description available]low00germacrane sesquiterpenoid;
monocarboxylic acid
ascr#5[no description available]low00monocarboxylic acid;
omega-hydroxy fatty acid ascaroside		Caenorhabditis elegans metabolite;
pheromone
fumimycin[no description available]low001-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol		antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor
lesinurad[no description available]low00aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles		uricosuric drug
saroglitazar[no description available]low00aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
levoplast[no description available]low00C-nitro compound
4-nitrobenzaldehyde[no description available]low00benzaldehydes;
C-nitro compound
parathion[no description available]low00C-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
bay-k-8644[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
benefin[no description available]low00C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound		agrochemical;
herbicide
dimetridazole[no description available]low00C-nitro compound;
imidazoles		antiparasitic agent;
antiprotozoal drug
etanidazole[no description available]low00C-nitro compound;
imidazoles;
monocarboxylic acid amide		alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent
flunitrazepam[no description available]low001,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
methyl parathion[no description available]low00C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
metronidazole[no description available]low00C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
niclosamide[no description available]low00benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nilutamide[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide[no description available]low00aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nizatidine[no description available]low001,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
oxamniquine[no description available]low00aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
4-nitrophenylacetic acid[no description available]low00C-nitro compound;
phenylacetic acids
ronidazole[no description available]low00C-nitro compound;
carbamate ester;
imidazoles		antiparasitic agent;
antiprotozoal drug
trifluralin[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
chloramphenicol[no description available]low00C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
niridazole[no description available]low001,3-thiazoles;
C-nitro compound
dinitrofluorobenzene[no description available]low00C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent
nifenalol[no description available]low00C-nitro compound
chloropicrin[no description available]low00C-nitro compound;
one-carbon compound;
organochlorine compound		antifungal agrochemical;
fumigant insecticide;
nematicide
quintozene[no description available]low00aromatic fungicide;
C-nitro compound;
pentachlorobenzenes		antifungal agrochemical
musk ambrette (artificial)[no description available]low00C-nitro compound
1-chloro-2-nitrobenzene[no description available]low00C-nitro compound;
monochlorobenzenes
picryl chloride[no description available]low00C-nitro compound;
monochlorobenzenes		allergen;
epitope;
explosive;
hapten
picric acid[no description available]low00C-nitro compoundantiseptic drug;
explosive;
fixative
2,4-dinitrobenzenesulfonic acid[no description available]low00arenesulfonic acid;
C-nitro compound
2-nitro-4-methylaniline[no description available]low00C-nitro compound
3,5-dinitrobenzoic acid[no description available]low00benzoic acids;
C-nitro compound
5-nitro-2-toluidine[no description available]low00C-nitro compound
4-chloronitrobenzene[no description available]low00C-nitro compound
4-nitroacetophenone[no description available]low00acetophenones;
C-nitro compound
tecnazene[no description available]low00aromatic fungicide;
C-nitro compound;
tetrachlorobenzene		antifungal agrochemical
4-amino-2-nitrotoluene[no description available]low00C-nitro compound
2-amino-5-nitrothiazole[no description available]low00C-nitro compound;
thiazoles
naphthol yellow[no description available]low00C-nitro compound;
naphthalenesulfonic acid;
naphthols		histological dye
trinitrobenzenesulfonic acid[no description available]low00arenesulfonic acid;
C-nitro compound		epitope;
explosive;
reagent
2-nitrobenzaldehyde[no description available]low00benzaldehydes;
C-nitro compound
1-bromo-2,4-dinitrobenzene[no description available]low00C-nitro compound;
organobromine compound
3,5-dinitrosalicylic acid[no description available]low00C-nitro compound;
monohydroxybenzoic acid		hapten
3,5-dinitrotoluene[no description available]low00C-nitro compound
2-methyl-5-nitroimidazole[no description available]low00C-nitro compound;
imidazoles
5-nitro-2-furaldehyde[no description available]low00C-nitro compound;
furans
4-nitrophenyl acetate[no description available]low00C-nitro compound;
phenyl acetates
methylparaoxon[no description available]low00C-nitro compound
dinobuton[no description available]low00C-nitro compound
pyrrolnitrin[no description available]low00alkaloid;
C-nitro compound;
monochlorobenzenes;
pyrroles		antifungal drug;
bacterial metabolite
dinoterb[no description available]low00C-nitro compound;
phenols
2,4-dinitrothiocyanatobenzene[no description available]low00C-nitro compound;
thiocyanates		hapten;
tolerogen
2,4,6-trichlorophenyl 4-nitrophenyl ether[no description available]low00aromatic ether;
C-nitro compound;
chlorobenzenes		EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
n-methylamino-2-nitro-4-n',n'-bis(2-hydroxyethyl)aminobenzene[no description available]low00C-nitro compound
4-nitroimidazole[no description available]low00C-nitro compound;
imidazoles
2-(alpha-thenoylamino)-2-nitro-5-thiazole[no description available]low001,3-thiazoles;
C-nitro compound
nitroxoline[no description available]low00C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent
nitralin[no description available]low00C-nitro compound
1,2-epoxy-3-(p-nitrophenoxy)propane[no description available]low00aromatic ether;
C-nitro compound;
epoxide
nimorazole[no description available]low00C-nitro compound;
imidazoles
4-chloro-7-nitrobenzofurazan[no description available]low00benzoxadiazole;
C-nitro compound;
organochlorine compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome
ipronidazole[no description available]low00C-nitro compound;
imidazoles
ornidazole[no description available]low00C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
oryzalin[no description available]low00aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound		agrochemical;
antimitotic;
herbicide
fenitrothion[no description available]low00C-nitro compound;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
benzonidazole[no description available]low00C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug
N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furanyl)methanimine[no description available]low00C-nitro compound;
furans
3-nitro-1-propanol[no description available]low00C-nitro compound
profluralin[no description available]low00C-nitro compound
dinitramine[no description available]low00C-nitro compound
hc blue no. 2[no description available]low00C-nitro compound
fluchloralin[no description available]low00C-nitro compound
butralin[no description available]low00C-nitro compound
isopropalin[no description available]low00C-nitro compound
pendimethalin[no description available]low00C-nitro compound;
secondary amino compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide
ethafluralin[no description available]low00C-nitro compound
bromethalin[no description available]low00C-nitro compound
fomesafen[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
bmy 25067[no description available]low00C-nitro compound;
organic disulfide		antineoplastic agent
2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole[no description available]low00C-nitro compound;
furans
4-nitrophenylalanine[no description available]low00C-nitro compound
4-nitrobenzyl bromide[no description available]low00benzyl bromides;
C-nitro compound		allergen;
sensitiser
nitarsone[no description available]low00C-nitro compound;
organoarsonic acid		agrochemical;
antiprotozoal drug
5'-nitro-2'-propoxyacetanilide[no description available]low00aromatic ether;
C-nitro compound
cinitapride[no description available]low00aromatic ether;
C-nitro compound
5-nitrouracil[no description available]low00C-nitro compound
3-nitrobenzyl alcohol[no description available]low00C-nitro compound
4-nitrobenzyl alcohol[no description available]low00benzyl alcohols;
C-nitro compound		xenobiotic metabolite
secnidazole[no description available]low00C-nitro compound;
imidazoles;
secondary alcohol		epitope
4-nitrophenyl palmitate[no description available]low00C-nitro compound;
hexadecanoate ester
4-nitrophenyl butyrate[no description available]low00butyrate ester;
C-nitro compound
2-nitrophenylacetic acid[no description available]low00C-nitro compound;
phenylacetic acids
4-nitrophenyl sulfate[no description available]low00aryl sulfate;
C-nitro compound		human metabolite
4-nitrophenyl-alpha-l-fucoside[no description available]low00alpha-L-fucoside;
C-nitro compound		chromogenic compound
4-nitrophenylglucuronide[no description available]low00beta-D-glucosiduronic acid;
C-nitro compound		chromogenic compound
chloramphenicol stearate[no description available]low00C-nitro compound
4,5-dimethoxy-2-nitrobenzaldehyde[no description available]low00aromatic ether;
C-nitro compound
4-nitrophenyl beta-d-xyloside[no description available]low00C-nitro compound;
xyloside		chromogenic compound
fluazinam[no description available]low00(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
2-nitropropanol[no description available]low00C-nitro compound
aclonifen[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
4-nitrophenyl beta-d-glucoside[no description available]low00beta-D-glucoside;
C-nitro compound		chromogenic compound
4-nitrophenyl alpha-glucoside[no description available]low00alpha-D-glucoside;
C-nitro compound;
monosaccharide derivative		chromogenic compound
bnps-skatole[no description available]low00aryl sulfide;
bromoindole;
C-nitro compound		reagent
nitrophenylgalactosides[no description available]low00beta-D-galactoside;
C-nitro compound		chromogenic compound
6-n-(2,4-dinitrophenyl)aminohexanoic acid[no description available]low00C-nitro compound
5-nitro-2-(1-piperidinyl)pyridine[no description available]low00C-nitro compound
s-(4-nitrobenzyl)glutathione[no description available]low00C-nitro compound;
organic sulfide;
S-substituted glutathione
4-nitrophenyl-2-acetamido-2-deoxy-beta-d-glucopyranoside[no description available]low00C-nitro compound;
N-acetyl-beta-D-glucosaminide		chromogenic compound
miserotoxin[no description available]low00beta-D-glucoside;
C-nitro compound		phytotoxin
nitisinone[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
efonidipine[no description available]low00C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound
1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole[no description available]low00C-nitro compound;
imidazoles
pyrrolomycin a[no description available]low00antibiotic antifungal agent;
C-nitro compound;
organochlorine compound;
pyrroles		antibacterial agent;
bacterial metabolite
2,8-dinitroimipramine[no description available]low00C-nitro compound;
dibenzoazepine;
tertiary amino compound
7-nitrobenzoxadiazole-6-aminohexanoic acid[no description available]low00benzoxadiazole;
C-nitro compound;
epsilon-amino acid;
secondary amino compound		fluorochrome
ag 3-5[no description available]low00C-nitro compound
thymidine 5'-4-nitrophenyl phosphate[no description available]low00aryl phosphate;
C-nitro compound;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate
mesotrione[no description available]low00aromatic ketone;
beta-triketone;
C-nitro compound;
sulfone		carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
3-nitrotyrosine[no description available]low002-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile[no description available]low00aromatic ether;
C-nitro compound
N-(4-nitrophenyl)-2-phenoxyacetamide[no description available]low00C-nitro compound
rubitecan[no description available]low00C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole[no description available]low00C-nitro compound
7-nitro-5-indeno[1,2-b]pyridinone[no description available]low00C-nitro compound
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine[no description available]low00C-nitro compound
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide[no description available]low00C-nitro compound
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol[no description available]low00aromatic ether;
C-nitro compound
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide[no description available]low00C-nitro compound;
furans
(3,5-dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone[no description available]low00C-nitro compound
N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide[no description available]low00C-nitro compound;
furans
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one[no description available]low00C-nitro compound
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide[no description available]low00aromatic ether;
C-nitro compound
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide[no description available]low00C-nitro compound
N-(2-fluoro-5-nitrophenyl)-2,2-dimethylbutanamide[no description available]low00C-nitro compound
3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one[no description available]low00C-nitro compound
3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine[no description available]low00C-nitro compound
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one[no description available]low00C-nitro compound
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea[no description available]low00aromatic ether;
C-nitro compound
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide[no description available]low00aromatic ether;
C-nitro compound
2-[[cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester[no description available]low00C-nitro compound
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea[no description available]low00aromatic ether;
C-nitro compound
N-(5-tert-butyl-3-isoxazolyl)-3-nitrobenzamide[no description available]low00C-nitro compound
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide[no description available]low00C-nitro compound
N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine[no description available]low00C-nitro compound
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide[no description available]low00C-nitro compound
4-methyl-2-(4-nitrophenyl)-5-thiazolecarboxylic acid[no description available]low00C-nitro compound
5-carbamoyl-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester[no description available]low00C-nitro compound
4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid[no description available]low00C-nitro compound
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester[no description available]low00aromatic ether;
C-nitro compound
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]-4-methylbenzamide[no description available]low00C-nitro compound
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione[no description available]low00aromatic ether;
C-nitro compound
stattic[no description available]low001-benzothiophenes;
C-nitro compound;
sulfone		antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide[no description available]low00aromatic ether;
C-nitro compound
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile[no description available]low00aromatic ether;
C-nitro compound
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide[no description available]low00aromatic ether;
C-nitro compound
N2-tert-butyl-6-ethoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine[no description available]low00C-nitro compound
N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamide[no description available]low00C-nitro compound
2-methyl-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]pentanamide[no description available]low00C-nitro compound
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide[no description available]low00C-nitro compound
4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one[no description available]low00C-nitro compound
N-(4-chloro-3-nitrophenyl)-3-phenylbutanamide[no description available]low00C-nitro compound
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene[no description available]low00C-nitro compound;
sulfonamide;
toluenes		bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide[no description available]low00aromatic ether;
C-nitro compound
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea[no description available]low00aromatic ether;
C-nitro compound
5-(2-nitrophenyl)-N-(2-thiazolyl)-2-furancarboxamide[no description available]low00C-nitro compound
ranitidine[no description available]low00C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
carnidazole[no description available]low00C-nitro compound;
imidazoles
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide[no description available]low00aromatic ether;
C-nitro compound
N-methyl-5-nitro-N-(phenylmethyl)-2-furancarboxamide[no description available]low00C-nitro compound;
furans
3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide[no description available]low00C-nitro compound
2-(2,2-dimethyl-4-oxanyl)-4-(4-nitrophenyl)thiazole[no description available]low00C-nitro compound
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine[no description available]low00C-nitro compound
3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide[no description available]low00C-nitro compound
N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide[no description available]low00C-nitro compound
N-(4-fluorophenyl)-5-nitro-2-pyridinamine[no description available]low00C-nitro compound
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide[no description available]low00C-nitro compound;
thiazoles
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide[no description available]low00C-nitro compound
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester[no description available]low00C-nitro compound;
thiophenes
2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-nitrophenyl)acetamide[no description available]low00C-nitro compound
4-(1-azepanyl)-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine[no description available]low00C-nitro compound
2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile[no description available]low00C-nitro compound;
furans
N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine[no description available]low00C-nitro compound
N4-(3-chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine[no description available]low00C-nitro compound
4-nitrocatechol[no description available]low00C-nitro compound;
catechols		human xenobiotic metabolite;
lipoxygenase inhibitor
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea[no description available]low00aromatic ether;
C-nitro compound
nefurthiazole[no description available]low00C-nitro compound;
furans
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide[no description available]low00C-nitro compound;
thiophenes
2-[(4-aminophenyl)thio]-N-(3-nitrophenyl)acetamide[no description available]low00C-nitro compound
3-[4-(2-hydroxyethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one[no description available]low00C-nitro compound
2-[[6-amino-2-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol[no description available]low00C-nitro compound
N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine[no description available]low00C-nitro compound
3-nitro-N-(2-phenylethyl)-2-pyridinamine[no description available]low00C-nitro compound
2-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl ester[no description available]low00C-nitro compound
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine[no description available]low00C-nitro compound
2,4-dinitrophenylhydrazine[no description available]low00C-nitro compound;
phenylhydrazines		reagent
3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide[no description available]low00C-nitro compound
5-methyl-2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-thiazolecarboxylic acid ethyl ester[no description available]low00C-nitro compound
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide[no description available]low00aromatic ether;
C-nitro compound
5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester[no description available]low00C-nitro compound;
thiophenes
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-nitroaniline[no description available]low00C-nitro compound
4-nitrocaramiphen[no description available]low00C-nitro compound
4-[(3-methyl-5-nitro-4-imidazolyl)amino]phenol[no description available]low00C-nitro compound;
imidazoles
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide[no description available]low00aromatic ether;
C-nitro compound
N2-(3-methylphenyl)-6-(4-morpholinyl)-5-nitropyrimidine-2,4-diamine[no description available]low00C-nitro compound
sb 415286[no description available]low00C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide[no description available]low00C-nitro compound;
secondary carboxamide;
tertiary carboxamide;
trifluoroacetamide
2-[[6-amino-2-[3-(dimethylamino)propylamino]-5-nitro-4-pyrimidinyl]amino]ethanol[no description available]low00C-nitro compound
4-(3-chlorophenyl)sulfonyl-N-cyclohexyl-N-methyl-3-nitrobenzamide[no description available]low00C-nitro compound
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine[no description available]low00C-nitro compound
1-(5-nitro-2-thiophenyl)piperidine[no description available]low00C-nitro compound;
thiophenes
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline[no description available]low00C-nitro compound
2-nitro-4-phenylenediamine[no description available]low00C-nitro compound;
primary amino compound
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine[no description available]low00C-nitro compound
1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone[no description available]low00C-nitro compound
N-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide[no description available]low00C-nitro compound
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester[no description available]low00C-nitro compound;
thiophenes
2-(2,3-dihydroxypropylamino)-5-nitro-3-pyridinecarbonitrile[no description available]low00C-nitro compound
2-[(2-nitrophenyl)thio]-1-cyclooctanone[no description available]low00C-nitro compound
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester[no description available]low00C-nitro compound;
thiophenes
N2-(2-furanylmethyl)-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine[no description available]low00C-nitro compound
N'-(4-nitrophenyl)-9-oxo-3-bicyclo[3.3.1]nonanecarbohydrazide[no description available]low00C-nitro compound
alsterpaullone[no description available]low00C-nitro compound;
caprolactams;
organic heterotetracyclic compound		anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole[no description available]low00C-nitro compound
1,2-diamino-4-nitrobenzene[no description available]low00C-nitro compound;
primary amino compound
N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-nitrobenzohydrazide[no description available]low00C-nitro compound
furylfuramide[no description available]low00acrylamides;
C-nitro compound;
nitrofuran antibiotic;
primary carboxamide
cilnidipine[no description available]low002-methoxyethyl ester;
C-nitro compound;
dihydropyridine		antihypertensive agent;
calcium channel blocker;
cardiovascular drug
ro 61-8048[no description available]low00C-nitro compound
meptyldinocap[no description available]low00C-nitro compound;
enoate ester
l796778[no description available]low00benzenes;
C-nitro compound;
L-lysine derivative;
L-phenylalanine derivative;
methyl ester;
oligopeptide;
secondary carboxamide;
ureas		somatostatin receptor agonist
amocarzine[no description available]low00C-nitro compound;
N-methylpiperazine;
secondary amino compound;
thioureas		antinematodal drug
nitrovin[no description available]low00C-nitro compound;
furans
dihydroxymethylfuratrizine[no description available]low00C-nitro compound;
furans
nifurpirinol[no description available]low00C-nitro compound;
furans
azanidazole[no description available]low00C-nitro compound;
imidazoles
aureothin[no description available]low004-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor
nifurzide[no description available]low00C-nitro compound;
thiophenes
abt-737[no description available]low00aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine[no description available]low001,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles		antibacterial agent;
c-Jun N-terminal kinase inhibitor
[4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone[no description available]low00C-nitro compound
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide[no description available]low00C-nitro compound
2',3'-o-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate[no description available]low00C-nitro compound;
spiroketal		antagonist
2-(4-morpholinyl)-N'-[(2-nitrophenyl)-oxomethyl]-4-thiazolecarbohydrazide[no description available]low00C-nitro compound
N'-[(2-methyl-3-nitrophenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide[no description available]low00C-nitro compound
ML-210[no description available]low00C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide		antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug
abt-199[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
chir 98014[no description available]low00aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator
acenocoumarol[no description available]low00C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
8-nitroguanosine 3',5'-cyclic monophosphate[no description available]low003',5'-cyclic purine nucleotide;
C-nitro compound		biomarker;
Brassica napus metabolite;
human metabolite;
signalling molecule
formal glycol[no description available]low00cyclic acetal;
dioxolane
spectinomycin[no description available]low00cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
cephalotaxine[no description available]low00benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound
artemether[no description available]low00artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial
allocryptopine[no description available]low00aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
versicolorin c[no description available]low00cyclic acetal;
organic heteropentacyclic compound;
p-quinones;
polyphenol		Aspergillus metabolite
stephenanthrine[no description available]low00cyclic acetal;
organic heterotetracyclic compound;
tertiary amino compound
teniposide[no description available]low00aromatic 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
pulmicort[no description available]low0011beta-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
everolimus[no description available]low00cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
avilamycin a[no description available]low00benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone		antimicrobial agent;
bacterial metabolite
oxypaeoniflora[no description available]low004-hydroxybenzoate ester;
beta-D-glucoside;
bridged compound;
cyclic acetal;
lactol;
monoterpene glycoside		plant metabolite
carlactone[no description available]low00cyclic acetal;
gamma-lactone		plant hormone
paeoniflorigenone[no description available]low00alicyclic ketone;
benzoate ester;
bridged compound;
cyclic acetal;
lactol;
monoterpenoid		neuromuscular agent;
plant metabolite
aprepitant[no description available]low00(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
fosaprepitant[no description available]low00(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles		antiemetic;
neurokinin-1 receptor antagonist;
prodrug
racemethorphan[no description available]low00aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound
lysergic acid diethylamide[no description available]low00ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound		dopamine agonist;
hallucinogen;
serotonergic agonist
vincristine[no description available]low00acetate 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
galantamine[no description available]low00benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
beta-erythroidine[no description available]low00delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		muscle relaxant;
plant metabolite
hematoxylin[no description available]low00organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol		histological dye;
plant metabolite
quinacridone[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
glaucine[no description available]low00aporphine 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
palmatine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound		plant metabolite
dihydro-beta-erythroidine[no description available]low00delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		nicotinic antagonist
nicergoline[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
vindesine[no description available]low00methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent
pergolide[no description available]low00diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
calanolide a[no description available]low00cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite
nile red[no description available]low00aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound		fluorochrome;
histological dye
tetrahydropalmatine[no description available]low00an (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound		adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
columbamine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound
brazilin[no description available]low00catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite
cryptolepine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
9-hydroxyellipticine[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound		antineoplastic agent
beta-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
berbine[no description available]low00berberine alkaloid;
isoquinoline alkaloid fundamental parent;
organic heterotetracyclic compound
megestrol acetate[no description available]low00bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol		GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite
psorospermin[no description available]low00epoxide;
organic heterotetracyclic compound;
xanthones		antineoplastic agent;
plant metabolite
asperlicin c[no description available]low00asperlicins;
indoles;
organic heterotetracyclic compound		Aspergillus metabolite;
cholecystokinin antagonist
5,6-didehydrosparteine[no description available]low00organic heterotetracyclic compound;
quinolizidine alkaloid;
tertiary amino compound		human xenobiotic metabolite
erysodine[no description available]low00aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols		antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide
top 53[no description available]low00furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
pronuciferine[no description available]low00aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound		plant metabolite
vincaleukoblastine[no description available]low00acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
5-methoxycanthin-6-one[no description available]low00alkaloid;
organic heterotetracyclic compound
pd 146176[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		antiatherogenic agent;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
ferroptosis inhibitor
Amalorin[no description available]low00alkaloid;
organic heterotetracyclic compound
sampangine[no description available]low00alkaloid;
organic heterotetracyclic compound		antifungal agent;
plant metabolite
discretamine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
plant metabolite
tetrahydrocolumbamine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound
costatolide[no description available]low00cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite
piperlactam s[no description available]low00alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite
6-methyl-12-indolo[1,2-c]quinazolinamine[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
sb-224289[no description available]low001,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound		serotonergic antagonist
bryostatin 1[no description available]low00acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist
azadirachtin[no description available]low00acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol		hepatoprotective agent
geissospermine[no description available]low00indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor
maytansine[no description available]low00alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator
t-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin
rifamycin b[no description available]low00acetate ester;
carboxylic acid;
organic heterotetracyclic compound;
rifamycins
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one[no description available]low00organic heterotetracyclic compound;
organofluorine compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
rifamycin sv[no description available]low00acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite
muconomycin a[no description available]low00epoxide;
macrolide antibiotic;
macrotriolide;
organic heterotetracyclic compound;
trichothecene
bryostatin 2[no description available]low00bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		antineoplastic agent;
marine metabolite;
protein kinase C agonist
1-azakenpaullone[no description available]low00lactam;
organic heterotetracyclic compound;
organobromine compound;
organonitrogen heterocyclic compound		EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
ergoline[no description available]low00diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound
lergotrile[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
px-866[no description available]low00acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
HT-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
fungal metabolite
vinflunine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
ossamycin[no description available]low00cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite
8,5'-cyclo-2'-deoxyadenosine[no description available]low00aromatic amine;
bridged compound;
diol;
N-glycosyl compound;
organic heterotetracyclic compound		Mycoplasma genitalium metabolite
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
hapalindole u[no description available]low00hapalindole;
isocyanide;
organic heterotetracyclic compound
berkeleydione[no description available]low00beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite
cx 5461[no description available]low00diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor
aspirochlorine[no description available]low00organic heterotetracyclic compoundAspergillus metabolite
alectinib[no description available]low00aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
afidopyropen[no description available]low00cyclopropanecarboxylate ester;
organic heterotetracyclic compound;
pyridines;
secondary alcohol		agrochemical;
insecticide;
TRPV channel modulator
stemmadenine[no description available]low00Aspidosperma alkaloid;
methyl ester;
monoterpenoid indole alkaloid;
organic heterotetracyclic compound;
primary alcohol		plant metabolite
mk-8742[no description available]low00carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent
pf-06463922[no description available]low00aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
atogepant[no description available]low00azaspiro compound;
organic heterotetracyclic compound;
piperidones;
secondary carboxamide;
trifluorobenzene		calcitonin gene-related peptide receptor antagonist
bictegravir[no description available]low00monocarboxylic acid amide;
organic heterotetracyclic compound;
secondary carboxamide;
trifluorobenzene		HIV-1 integrase inhibitor
8,5'-cyclo-2'-deoxyguanosine[no description available]low00aromatic amine;
bridged compound;
diol;
N-glycosyl compound;
organic heterotetracyclic compound		Mycoplasma genitalium metabolite
vanilmandelic acid[no description available]low002-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
win 52035[no description available]low00aromatic ether
win 52084[no description available]low00aromatic ether
5-(nonyloxy)tryptamine[no description available]low00aromatic ether;
primary amino compound;
tryptamines		serotonergic agonist
methylbufotenin[no description available]low00aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite
5-methoxytryptamine[no description available]low00aromatic 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
ro 48-8071[no description available]low00aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor
rtki cpd[no description available]low00aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
amsacrine[no description available]low00acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one[no description available]low00aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol		allelochemical;
plant metabolite
bufetolol[no description available]low00aromatic ether
bufexamac[no description available]low00aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bunitrolol[no description available]low00aromatic ether
bupranolol[no description available]low00aromatic ether
cgp 12177[no description available]low00aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
ciglitazone[no description available]low00aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cirazoline[no description available]low00aromatic ether
clofibrate[no description available]low00aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
colchicine, (+-)-isomer[no description available]low00acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound		microtubule-destabilising agent;
plant metabolite
croconazole[no description available]low00aromatic ether;
conazole antifungal drug;
imidazole antifungal drug;
monochlorobenzenes
cypermethrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide
dilacor xr[no description available]low00acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
domiphen[no description available]low00aromatic ether
donepezil[no description available]low00aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
epirizole[no description available]low00aromatic ether
ethoxyquin[no description available]low00aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
ethoxzolamide[no description available]low00aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2-hexyloxybenzamide[no description available]low00aromatic ether;
benzamides		antifungal agent
carbonyl cyanide p-trifluoromethoxyphenylhydrazone[no description available]low00aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore
fenofibrate[no description available]low00aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fenvalerate[no description available]low00aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide
flecainide[no description available]low00aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluoxetine[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
gallamine triethiodide[no description available]low00aromatic ether
gemfibrozil[no description available]low00aromatic etherantilipemic drug
haloprogin[no description available]low00aromatic ether
ipriflavone[no description available]low00aromatic ether;
isoflavones		bone density conservation agent
ly 171883[no description available]low00acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
mephenesin[no description available]low00aromatic ether;
glycerol ether
methocarbamol[no description available]low00aromatic ether;
carbamate ester;
secondary alcohol
methoctramine[no description available]low00aromatic ether;
tetramine		muscarinic antagonist
mexiletine[no description available]low00aromatic ether;
primary amino compound		anti-arrhythmia drug
midodrine[no description available]low00amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
clorgyline[no description available]low00aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
nefazodone[no description available]low00aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nisoxetine[no description available]low00aromatic ether;
secondary amino compound		adrenergic uptake inhibitor;
antidepressant
oxprenolol[no description available]low00aromatic ether
pantoprazole[no description available]low00aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pd 153035[no description available]low00aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pentamidine[no description available]low00aromatic 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
pioglitazone[no description available]low00aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
piretanide[no description available]low00aromatic ether
pramoxine[no description available]low00aromatic ether;
morpholines		local anaesthetic
prazosin[no description available]low00aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]low00aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
proglumetacin[no description available]low00aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
propoxur[no description available]low00aromatic ether;
carbamate ester		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
pyrilamine[no description available]low00aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
sulfadimethoxine[no description available]low00aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
tilorone[no description available]low00aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
ultram[no description available]low00aromatic ether;
tertiary alcohol;
tertiary amino compound
triclosan[no description available]low00aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
viloxazine[no description available]low00aromatic ether
wb 4101[no description available]low00aromatic ether;
benzodioxine;
secondary amino compound		alpha-adrenergic antagonist
3,3',5-triiodothyropropionic acid[no description available]low00aromatic ether
methacetin[no description available]low00acetamides;
aromatic ether
mestranol[no description available]low0017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
2-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols
phenetidine[no description available]low00aromatic ether;
substituted aniline
4-bromophenyl phenyl ether[no description available]low00aromatic ether;
organobromine compound
di-(4-aminophenyl)ether[no description available]low00aromatic ether
phenyl ether[no description available]low00aromatic etherplant metabolite
diglycidyl resorcinol ether[no description available]low00aromatic ether
phenetole[no description available]low00aromatic ether
scoparone[no description available]low00aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
dimethoxyphenylethylamine[no description available]low00alkaloid;
aromatic ether;
phenylethylamine		allergen;
plant metabolite
3-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite
ethyl vanillin[no description available]low00aromatic ether;
benzaldehydes;
phenols		antioxidant;
flavouring agent
benzethonium chloride[no description available]low00aromatic ether;
chloride salt;
quaternary ammonium salt		antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
peucedanin[no description available]low00aromatic ether;
furanocoumarin;
lactone		plant metabolite
phenetidine[no description available]low00aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
6-methoxybenzoxazolinone[no description available]low00aromatic ether;
benzoxazole		antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite
3-anisidine[no description available]low00aromatic ether;
substituted aniline
domiphen bromide[no description available]low00aromatic ether
dibrompropamidine[no description available]low00aromatic ether
4-Ethoxyphenol[no description available]low00aromatic ether;
phenols
bulbocapnine[no description available]low00aporphine alkaloid;
aromatic ether;
oxacycle;
phenols		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite
benzydamine[no description available]low00aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
xylocholine[no description available]low00aromatic ether
3-methoxycatechol[no description available]low00aromatic ether;
catechols		G-protein-coupled receptor agonist
2-phenoxypropanoic acid[no description available]low00aromatic ether;
carboxylic acid
6-methoxyquinoline[no description available]low00aromatic ether;
quinolines
metaxalone[no description available]low00aromatic ether
heliamine[no description available]low00aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines		plant metabolite
etridiazol[no description available]low00aromatic ether;
organochlorine compound;
thiadiazole antifungal agent;
thiadiazoles		antifungal agrochemical;
nitrification inhibitor
toliprolol[no description available]low00aromatic ether
methyl vanillate[no description available]low00aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite
5-methoxyindole-2-carboxylic acid[no description available]low00aromatic ether;
indolecarboxylic acid		EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite
2-isopropoxyphenol[no description available]low00aromatic ether;
phenols
dehydroemetine[no description available]low00aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug
metocurine iodide[no description available]low00aromatic ether
ac 45594[no description available]low00aromatic ether
3-phenoxybenzylalcohol[no description available]low00aromatic ether;
benzyl alcohols		marine xenobiotic metabolite
devrinol[no description available]low00aromatic ether;
monocarboxylic acid amide;
naphthalenes
fluorodifen[no description available]low00aromatic ether
precocene i[no description available]low00aromatic ether;
chromenes		plant metabolite;
precocenes
oxadiazon[no description available]low00aromatic ether
lofexidine[no description available]low00aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles		alpha-adrenergic agonist;
antihypertensive agent
phenylglycidyl ether[no description available]low00aromatic ether
phenoxyethanol[no description available]low00aromatic ether;
glycol ether;
primary alcohol		antiinfective agent;
central nervous system depressant
metipranolol[no description available]low00acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
silybin[no description available]low00aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
oxamethacin[no description available]low00aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
7-ethoxycoumarin[no description available]low00aromatic ether;
coumarins
medifoxamine[no description available]low00aromatic ether
chlormethoxynil[no description available]low00aromatic ether
climbazole[no description available]low00aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes
4-hexyloxyaniline[no description available]low00aromatic ether;
substituted aniline
oxyfluorofen[no description available]low00aromatic etherEC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
triadimefon[no description available]low00aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles
levobunolol[no description available]low00aromatic ether;
cyclic ketone;
propanolamine		antiglaucoma drug;
beta-adrenergic antagonist
dichlorfop-methyl[no description available]low00aromatic ether;
dichlorobenzene;
diether;
methyl ester
decamethrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound		agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide
triadimenol[no description available]low00aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
prenalterol[no description available]low00aromatic ether
st 1059[no description available]low00aromatic ether;
primary amino compound;
secondary alcohol		alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
paroxetine[no description available]low00aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
bopindolol[no description available]low00aromatic ether;
benzoate ester;
methylindole;
secondary amino compound
fenpropathrin, (+-)-isomer[no description available]low00aromatic ether;
cyclopropanecarboxylate ester		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
triflumuron[no description available]low00aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound
flutolanil[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fenoxaprop ethyl[no description available]low00aromatic ether
triclabendazole[no description available]low00aromatic ether
fluvalinate[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
fluazifop-butyl[no description available]low00aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines
fenoxycarb[no description available]low00aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
quizalofop-ethyl[no description available]low00aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative
cetamolol[no description available]low00aromatic ether
atomoxetine[no description available]low00aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
methyl bensulfuron[no description available]low00aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
itraconazole[no description available]low00aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
loxtidine[no description available]low00aromatic ether;
piperidines;
primary alcohol;
triazoles		H2-receptor antagonist
disoxaril[no description available]low00aromatic ether
chlorimuron ethyl[no description available]low00aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
tepoxalin[no description available]low00aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles		antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
esmolol[no description available]low00aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
pioglitazone hydrochloride[no description available]low00aromatic ether
aripiprazole[no description available]low00aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
sulfametrole[no description available]low00aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles
propamidine[no description available]low00aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
hexamidine[no description available]low00aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
o-4-methylthymine[no description available]low00aromatic ether;
methylthymine		human metabolite
fenclofenac[no description available]low00aromatic ether
fluazuron[no description available]low00aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas		acaricide;
mite growth regulator
etiroxate[no description available]low00aromatic ether
etofamide[no description available]low00aromatic ether
d 888[no description available]low00aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent
esreboxetine[no description available]low00aromatic ether
guaethol[no description available]low00aromatic ether;
phenols;
volatile organic compound		flavouring agent
spiramide[no description available]low00aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
serotonergic antagonist
suberosin[no description available]low00aromatic ether;
coumarins		anticoagulant;
plant metabolite
4-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite
toltrazuril[no description available]low00aromatic ether
plafibride[no description available]low00aromatic ether
ethofenprox[no description available]low00aromatic etherpyrethroid ether insecticide
uk 68798[no description available]low00aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]low001,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
fenoxypropazine[no description available]low00aromatic ether
fluphenacur[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound
amezinium[no description available]low00aromatic ether;
primary arylamine;
pyridazinium ion		adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent
rubrofusarin[no description available]low00aromatic ether;
benzochromenone;
phenols;
polyketide		biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite
triasulfuron[no description available]low001,3,5-triazines;
aromatic ether;
N-sulfonylurea;
organochlorine compound		agrochemical;
herbicide
dauricine[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite
uvaretin[no description available]low00aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite
fangchinoline[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
prochloraz[no description available]low00amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
pramoxine hydrochloride[no description available]low00aromatic ether
4-methoxybenzylamine[no description available]low00aralkylamino compound;
aromatic ether;
primary amino compound
adriamycinol[no description available]low00aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones		cardiotoxic agent;
drug metabolite
difenoconazole[no description available]low00aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
a 8947[no description available]low00aromatic ether;
biaryl;
N-sulfonylurea;
pyrazole pesticide;
tetrazoles		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
thifluzamide[no description available]low001,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
ethylhydrocupreine[no description available]low00aromatic ether;
cinchona alkaloid		EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
bisphenol f diglycidyl ether[no description available]low00aromatic ether;
diarylmethane;
epoxide
oryzemate[no description available]low001,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone		antifungal agrochemical;
plant activator
bitertanol[no description available]low00aromatic ether;
biphenyls;
secondary alcohol;
triazoles
diflufenican[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
hexafluoron[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide
diethofencarb[no description available]low00aromatic ether;
carbamate ester;
carbanilate fungicide		antifungal agrochemical
pyriproxyfen[no description available]low00aromatic ether;
pyridines		juvenile hormone mimic
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate[no description available]low00aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
dpx e9636[no description available]low00aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone		environmental contaminant;
herbicide;
xenobiotic
cinosulfuron[no description available]low00aromatic ether
clodinafop-propargyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide
triflusulfuron-methyl[no description available]low001,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
vestitol[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		anti-inflammatory agent;
phytoalexin;
plant metabolite
laudanine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate
cryptopleurine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor
6-hydroxymethylmexiletine[no description available]low00aromatic ether
4-hydroxymexiletine[no description available]low00aromatic ether;
phenols
cloquintocet-mexyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines
novaluron[no description available]low00aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound
bursehernin[no description available]low00aromatic ether;
benzodioxoles;
butan-4-olide;
lignan		plant metabolite
2,2',4,4'-tetrabromodiphenyl ether[no description available]low00aromatic ether;
organobromine compound
sporidesmin[no description available]low00aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator
syringaresinol[no description available]low00aromatic ether;
furofuran;
lignan;
polyether;
polyphenol		plant metabolite
cyfluthrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester insecticide
norverapamil[no description available]low00aromatic ether;
nitrile;
polyether;
secondary amino compound
fumitremorgin a[no description available]low00aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		mycotoxin
alpha-hydroxymetoprolol[no description available]low00aromatic ether
5-(tetradecyloxy)-2-furancarboxylic acid[no description available]low00aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist
tafenoquine[no description available]low00(trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound
5-hydroxymethylomeprazole[no description available]low00aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		drug metabolite
mosapride[no description available]low00aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
ym 12617[no description available]low00aromatic ether;
secondary amino compound;
sulfonamide
gefitinib[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
cgp 28392[no description available]low00aromatic ether
sodium-binding benzofuran isophthalate[no description available]low001-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid		fluorochrome
garenoxacin[no description available]low00aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug
ay 25545[no description available]low00acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
reboxetine[no description available]low00aromatic ether
b 823-08[no description available]low00aromatic ether
cyclazosin[no description available]low00aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative		adenosine A2A receptor antagonist
ivabradine[no description available]low00aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound		cardiotonic drug
febuxostat[no description available]low001,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
xibenolol[no description available]low00aromatic ether
cicloprolol[no description available]low00aromatic ether
chs 828[no description available]low00aromatic ether
2-(4-methoxyphenoxy)propanoic acid[no description available]low00aromatic ether;
carboxylic acid
moxifloxacin[no description available]low00aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
rp 73401[no description available]low00aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide		anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor
2,2',4,4',5,5'-hexabrominated diphenyl ether[no description available]low00aromatic ether;
organobromine compound
birb 796[no description available]low00aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
s 23121[no description available]low00aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound
acrovestone[no description available]low00acetophenones;
aromatic ether;
olefinic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
actinodaphine[no description available]low00aporphine 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
7,8-dihydro-5,6-dehydrokawain[no description available]low002-pyranones;
aromatic ether
myricanone[no description available]low00aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite
pannarin[no description available]low00aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite
aminopotentidine[no description available]low00aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline		H2-receptor antagonist
erlotinib[no description available]low00aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
rubrofusarin B[no description available]low00aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide		Aspergillus metabolite
ly 293111[no description available]low00aromatic ether
cyhalofop-butyl[no description available]low00aromatic ether
cyperin[no description available]low00aromatic ether
etravirine[no description available]low00aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
5-o-methyllicoricidin[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite
dronedarone[no description available]low001-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
famoxadone[no description available]low00aromatic ether;
carbohydrazide;
oxazolidinone
cimicoxib[no description available]low00aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
sorafenib[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
dabuzalgron[no description available]low00aromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide		alpha-adrenergic agonist
fonsecin[no description available]low00aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols		Aspergillus metabolite;
marine metabolite
lasofoxifene[no description available]low00aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist
(+-)-Dihydromethysticin[no description available]low002-pyranones;
aromatic ether
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline[no description available]low00aromatic ether;
substituted aniline
chondocurine (1beta)-(+-)-isomer[no description available]low00aromatic ether
1-methyl-4-prop-2-enoxy-2-pyrimidinone[no description available]low00aromatic ether;
pyrimidone
lariciresinol[no description available]low00aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite
tryptoquivaline[no description available]low00aromatic ether;
indole alkaloid;
organic heteropentacyclic compound		breast cancer resistance protein inhibitor;
mycotoxin
2-methoxyestrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite
win 54954[no description available]low00aromatic ether
stigmatellin[no description available]low00aromatic ether;
chromones;
olefinic compound;
phenols		bacterial metabolite;
quinol oxidation site inhibitor
roflumilast[no description available]low00aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor
prinomastat[no description available]low00aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor
posaconazole[no description available]low00aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
gancaonin I[no description available]low001-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
plant metabolite
glyasperin D[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		plant metabolite
licoricidin[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite
egonol[no description available]low001-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol		plant metabolite
N-ethylharmine[no description available]low00aromatic ether;
beta-carbolines;
semisynthetic derivative		anti-HIV agent
pf 1163a[no description available]low00aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite
pf 1163b[no description available]low00aromatic ether;
lactam;
macrolide antibiotic		antifungal agent;
Penicillium metabolite
licocoumarone[no description available]low001-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide[no description available]low00aromatic ether
LSM-22807[no description available]low00aromatic ether
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide[no description available]low00aromatic ether
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one[no description available]low00aromatic ether
antofine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
2-phenoxy-N-(2-pyridinyl)butanamide[no description available]low00aromatic ether
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile[no description available]low00aromatic ether;
pyranopyrazole
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide[no description available]low00aromatic ether
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole[no description available]low00aromatic ether
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide[no description available]low00aromatic ether
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol[no description available]low00aromatic ether
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine[no description available]low00aromatic ether
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole[no description available]low00aromatic ether
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide[no description available]low00aromatic ether
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile[no description available]low00aromatic ether;
pyranopyrazole
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone[no description available]low00aromatic ether
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol[no description available]low00aromatic ether
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine[no description available]low00aromatic ether
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole[no description available]low00aromatic ether
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00aromatic ether;
triazolothiadiazole
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile[no description available]low00aromatic ether
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione[no description available]low00aromatic ether
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one[no description available]low00aromatic ether
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile[no description available]low00aromatic ether
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester[no description available]low00aromatic ether
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide[no description available]low00aromatic ether
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide[no description available]low00aromatic ether
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide[no description available]low00aromatic ether
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione[no description available]low00aromatic ether
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester[no description available]low00aromatic ether
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide[no description available]low00aromatic ether
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine[no description available]low00aromatic ether
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester[no description available]low00aromatic ether
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole[no description available]low00aromatic ether
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione[no description available]low00aromatic ether
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole[no description available]low00aromatic ether
4-(4-phenylmethoxyphenyl)thiadiazole[no description available]low00aromatic ether
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone[no description available]low00aromatic ether
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile[no description available]low00aromatic ether
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide[no description available]low00aromatic ether
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide[no description available]low00aromatic ether
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide[no description available]low00aromatic ether
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide[no description available]low00aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide[no description available]low00aromatic ether
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide[no description available]low00aromatic ether
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole[no description available]low00aromatic ether
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole[no description available]low00aromatic ether
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea[no description available]low00aromatic ether
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine[no description available]low00aromatic ether
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide[no description available]low00aromatic ether
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone[no description available]low00aromatic ether
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide[no description available]low00aromatic ether
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea[no description available]low00aromatic ether
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide[no description available]low00aromatic ether
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide[no description available]low00aromatic ether
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester[no description available]low00aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide[no description available]low00aromatic ether
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone[no description available]low00aromatic ether
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide[no description available]low00aromatic ether
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide[no description available]low00aromatic ether
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide[no description available]low00aromatic ether
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide[no description available]low00aromatic ether
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine[no description available]low00aromatic ether
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester[no description available]low00aromatic ether
Src Inhibitor-1[no description available]low00aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide[no description available]low00aromatic ether
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile[no description available]low00aromatic ether
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one[no description available]low00aromatic ether
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone[no description available]low00aromatic ether
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine[no description available]low00aromatic ether
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione[no description available]low00aromatic ether
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea[no description available]low00aromatic ether
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide[no description available]low00aromatic ether
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline[no description available]low00aromatic ether
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile[no description available]low00aromatic ether
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole[no description available]low00aromatic ether
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole[no description available]low00aromatic ether
1-butyl-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide[no description available]low00aromatic ether
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole[no description available]low00aromatic ether
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine[no description available]low00aromatic ether
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone[no description available]low00aromatic ether
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine[no description available]low00aromatic ether
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine[no description available]low00aromatic ether
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole[no description available]low00aromatic ether
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine[no description available]low00aromatic ether
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide[no description available]low00aromatic ether
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde[no description available]low00aromatic ether
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione[no description available]low00aromatic ether
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine[no description available]low00aromatic ether
N-butyl-4-phenoxy-1-butanamine[no description available]low00aromatic ether
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester[no description available]low00aromatic ether
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine[no description available]low00aromatic ether
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester[no description available]low00aromatic ether
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester[no description available]low00aromatic ether
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine[no description available]low00aromatic ether
N4-(2-methoxyphenyl)benzene-1,4-diamine[no description available]low00aromatic ether;
substituted aniline
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester[no description available]low00aromatic ether
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester[no description available]low00aromatic ether
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone[no description available]low00aromatic ether
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide[no description available]low00aromatic ether
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine[no description available]low00aromatic ether
5-(3-fluorophenoxy)-8-nitroisoquinoline[no description available]low00aromatic ether
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine[no description available]low00aromatic ether
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide[no description available]low00aromatic ether
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate[no description available]low00aromatic ether
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide[no description available]low00aromatic ether
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone[no description available]low00aromatic ether
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one[no description available]low00aromatic ether
2-(4-aminophenoxy)isophthalonitrile[no description available]low00aromatic ether
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine[no description available]low00aromatic ether
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide[no description available]low00aromatic ether
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea[no description available]low00aromatic ether
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester[no description available]low00aromatic ether
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol[no description available]low00aromatic ether
1-[4-(3-ethoxyphenoxy)butyl]imidazole[no description available]low00aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide[no description available]low00aromatic ether
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea[no description available]low00aromatic ether
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide[no description available]low00aromatic ether
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide[no description available]low00aromatic ether
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide[no description available]low00aromatic ether
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester[no description available]low00aromatic ether
toremifene[no description available]low00aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine[no description available]low00aromatic ether
naproxol[no description available]low00aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diafenthiuron[no description available]low00aromatic ether;
thiourea acaricide;
thiourea insecticide		oxidative phosphorylation inhibitor;
proinsecticide
ospemifene[no description available]low00aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator
tandutinib[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
zd 6474[no description available]low00aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
adefovir[no description available]low00aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol		antimalarial;
Aspergillus metabolite;
marine metabolite
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide[no description available]low00aromatic ether
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide[no description available]low00aromatic ether
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide[no description available]low00aromatic ether
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile[no description available]low00aromatic ether;
pyranopyrazole
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea[no description available]low00aromatic ether
quinoxyfen[no description available]low00aromatic ether;
monofluorobenzenes;
organochlorine compound;
quinolines		antifungal agrochemical
nafadotride[no description available]low00aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist
2-methyl-1,3-bis(phenylmethoxy)benzene[no description available]low00aromatic ether
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea[no description available]low00aromatic ether
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione[no description available]low00aromatic ether
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide[no description available]low00aromatic ether
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine[no description available]low00aromatic ether
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine[no description available]low00aromatic ether
1-[4-(2-chlorophenoxy)butyl]imidazole[no description available]low00aromatic ether;
imidazoles;
monochlorobenzenes
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide[no description available]low00aromatic ether
hydroxypioglitazone[no description available]low00aromatic ether;
pyridines;
thiazolidinediones		human xenobiotic metabolite
sc 560[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
sc-19220[no description available]low00aromatic ether
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester[no description available]low00aromatic ether
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione[no description available]low00aromatic ether
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester[no description available]low00aromatic ether
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide[no description available]low00aromatic ether
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile[no description available]low00aromatic ether;
substituted aniline
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide[no description available]low00aromatic ether
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol[no description available]low00aromatic ether
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene[no description available]low00aromatic ether
fraxin[no description available]low00aromatic ether;
beta-D-glucoside;
hydroxycoumarin		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
fraxetin[no description available]low00aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent
jtk-303[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor
coniferin[no description available]low00aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative		plant metabolite
kavain[no description available]low002-pyranones;
aromatic ether
gentiacaulein[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
gentisin[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
isogentisin[no description available]low00aromatic ether;
polyphenol;
xanthones		EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
1,2,8-trihydroxy-6-methoxyxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		antioxidant;
plant metabolite
cyhalothrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
neticonazole[no description available]low00aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
pibutidine[no description available]low00aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound		anti-ulcer drug;
H2-receptor antagonist
purmorphamine[no description available]low00aromatic ether;
morpholines;
purines;
secondary amino compound		osteogenesis regulator;
SMO receptor agonist
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile[no description available]low00aromatic ether
ro 41-5253[no description available]low00aromatic ether;
benzoic acids;
sulfone;
thiochromane		apoptosis inducer;
retinoic acid receptor alpha antagonist
glycycoumarin[no description available]low00aromatic ether;
coumarins;
resorcinols		antispasmodic drug;
plant metabolite
isoginkgetin[no description available]low00aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
neoglycyrol[no description available]low00aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite
rhamnazin[no description available]low00aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
bw b70c[no description available]low00aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
lichexanthone[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
alternariol monomethyl ether[no description available]low00aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin
decussatin[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
bedaquiline[no description available]low00aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor
dimethomorph[no description available]low00aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide
benanomicin b[no description available]low00aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol
pradimicin b[no description available]low00aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol
pradimicin a[no description available]low00aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol
ici 118551[no description available]low00aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
ochnaflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide[no description available]low00aromatic ether
flavasperone[no description available]low00aromatic ether;
naphtho-gamma-pyrone;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite
4-hydroxycordoin[no description available]low00aromatic ether;
chalcones;
polyphenol		anti-inflammatory agent;
antibacterial agent;
plant metabolite
n-feruloylserotonin[no description available]low00aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite
tyrphostin ag825[no description available]low00aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist
kresoxim-methyl[no description available]low00aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
5-methoxy-3,6-diphenyl-1,2,4-triazine[no description available]low00aromatic ether
pyrachlostrobin[no description available]low00aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
piericidin a[no description available]low00aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol		antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor
metrafenone[no description available]low00aromatic ether;
aryl phenyl ketone fungicide;
benzophenones;
organobromine compound		antifungal agrochemical
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes
b 43[no description available]low00aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
5-(4-phenylbutoxy)psoralen[no description available]low00aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker
5-ia-85380[no description available]low00aromatic ether
yunaconitine[no description available]low00acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
ru 58668[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist
altenusin[no description available]low00aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol		antifungal agent;
fungal metabolite
bay 58-2667[no description available]low00aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
camostat[no description available]low00aromatic ether;
phenols
lenvatinib[no description available]low00aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
nsc 716970[no description available]low00aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent
lobeglitazone[no description available]low00aromatic ether
noviflumuron[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound
etomoxir[no description available]low00aromatic ether
sb 3ct compound[no description available]low00aromatic ether
varespladib methyl[no description available]low00aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug
dapagliflozin[no description available]low00aromatic ether;
C-glycosyl compound;
monochlorobenzenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
naveglitazar[no description available]low00aromatic ether
tivozanib[no description available]low00aromatic ether
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
ustiloxin b[no description available]low00aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin
hypothemycin[no description available]low00aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite
tryprostatin a[no description available]low00aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine		breast cancer resistance protein inhibitor
cediranib[no description available]low00aromatic ether
3-iodothyronamine[no description available]low00aromatic ether
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride[no description available]low00aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound		antipsychotic agent;
receptor modulator
7,8-Dihydroyangonin[no description available]low002-pyranones;
aromatic ether
sch 51344[no description available]low00aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent
pimavanserin[no description available]low00aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas		5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
tolfenpyrad[no description available]low00aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide		agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor
SIS3 free base[no description available]low00aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor
apixaban[no description available]low00aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
bibw 2992[no description available]low00aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
dihydrokavain[no description available]low002-pyranones;
aromatic ether
troglitazone sulfate[no description available]low00aromatic ether;
thiazolidinone
saracatinib[no description available]low00aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
fonsecinone a[no description available]low00aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol		antibacterial agent;
Aspergillus metabolite
crenolanib[no description available]low00aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
aiphanol[no description available]low00aromatic ether;
benzodioxine;
lignan;
stilbenoid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
nigerloxin[no description available]low00aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger
msdc-0160[no description available]low00aromatic ether
PB28[no description available]low00aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
PDGF receptor tyrosine kinase inhibitor III[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
fluoxastrobin[no description available]low00aromatic ether;
dioxazine;
monochlorobenzenes;
organofluorine compound;
oxime O-ether;
pyrimidines;
strobilurin antifungal agent		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
flumorph[no description available]low00aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide
regorafenib[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
erastin[no description available]low00aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor
brivanib[no description available]low00aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
fg-4592[no description available]low00aromatic ether;
isoquinolines;
N-acylglycine		EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
picoxystrobin[no description available]low00aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
cenicriviroc[no description available]low00aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
mandipropamid[no description available]low00aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound
glyceryl ferulate[no description available]low001-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter
ki 8751[no description available]low00aromatic ether
azd 8931[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
bay94 9172[no description available]low00(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline		radioactive imaging agent
olodaterol[no description available]low00aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
dorsomorphin[no description available]low00aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
cj-042794[no description available]low00aromatic ether
hu 308[no description available]low00aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid		anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist
ki11502[no description available]low00aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
apremilast[no description available]low00aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
PF-00835231[no description available]low00aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine[no description available]low00aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
chir-265[no description available]low00aromatic ether
aminocandin[no description available]low00aromatic ether;
echinocandin;
homodetic cyclic peptide		antiinfective agent
zk 756326[no description available]low00aromatic ether
bay 60-6583[no description available]low00aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide		adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent
empagliflozin[no description available]low00aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide[no description available]low00aromatic ether
bgt226[no description available]low00aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
n-desmethylrosiglitazone[no description available]low00aromatic ether
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide[no description available]low00aromatic ether
verruculogen[no description available]low00aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker
1-O-feruloyl-beta-D-glucose[no description available]low00aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite
2,2',4,5'-tetrabromodiphenyl ether[no description available]low00aromatic ether;
organobromine compound
hexabromodiphenyl ether 154[no description available]low00aromatic ether;
organobromine compound
bde 183[no description available]low00aromatic ether;
organobromine compound
l-798106[no description available]low00aromatic ether;
bromobenzenes;
N-sulfonylcarboxamide		prostaglandin receptor antagonist
aflatoxin m1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite
macitentan[no description available]low00aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides		antihypertensive agent;
endothelin receptor antagonist;
orphan drug
CDN1163[no description available]low00aromatic ether;
quinolines;
secondary carboxamide		SERCA activator
e 7050[no description available]low00aromatic ether
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide[no description available]low00aromatic ether
dafadine C[no description available]low00aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines		P450 inhibitor
dafadine B[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines		P450 inhibitor
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide[no description available]low00aromatic ether
violaceol II[no description available]low00aromatic ether;
catechols;
resorcinols		mycotoxin
pamapimod[no description available]low00aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound		antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk690693[no description available]low001,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024[no description available]low002-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor
uk 453,061[no description available]low00aromatic ether
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one[no description available]low00aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound
zm323881[no description available]low00aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline		vascular endothelial growth factor receptor antagonist
compound w[no description available]low00aromatic ether
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one[no description available]low00aromatic ether;
homoisoflavonoid;
polyphenol		angiogenesis modulating agent;
plant metabolite
ph 797804[no description available]low00aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
mk 5108[no description available]low00aromatic ether
lde225[no description available]low00aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone[no description available]low00aromatic ether
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines		geroprotector;
P450 inhibitor
dafadine D[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines		P450 inhibitor
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide[no description available]low00aromatic ether
dafadine O[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly		P450 inhibitor
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide[no description available]low00aromatic ether
pci 32765[no description available]low00acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
florbetapir f 18[no description available]low00(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline		radioactive imaging agent
AMG-208[no description available]low00aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor
6-methoxyspirotryprostatin b[no description available]low00aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite
lucitanib[no description available]low00aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist
act-132577[no description available]low00aromatic ether;
organobromine compound;
pyrimidines;
sulfamides		antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite
cabozantinib[no description available]low00aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
poziotinib[no description available]low00acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
gsk 2126458[no description available]low00aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
gsk 1363089[no description available]low00aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea[no description available]low00aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea[no description available]low00aromatic ether
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea[no description available]low00aromatic ether
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea[no description available]low00aromatic ether
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide[no description available]low00aromatic ether
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea[no description available]low00aromatic ether
monepantel[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide		anthelminthic drug;
nematicide
an2728[no description available]low00aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
grazoprevir[no description available]low00aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone[no description available]low00aromatic ether
tak-632[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor
lrrk2-in1[no description available]low00aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
quinolobactin[no description available]low00aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid		bacterial metabolite;
siderophore
AZD1979[no description available]low00aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes		melanin-concentrating hormone receptor antagonist
ML240[no description available]low00aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
aripiprazole lauroxil[no description available]low00aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist
xl765[no description available]low00aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
DMH1[no description available]low00aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide[no description available]low00aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes
pf 4800567[no description available]low00aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
propenylphosphonic acid[no description available]low00aromatic ether
abt-333[no description available]low00aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor
naloxegol[no description available]low00aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist
ceritinib[no description available]low00aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
MK-8353[no description available]low00aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
HG-10-102-01[no description available]low00aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide[no description available]low00aromatic ether
fertaric acid[no description available]low00aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles
DDR1-IN-1[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ldc4297[no description available]low00aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
MLI-2[no description available]low00aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187[no description available]low00aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand
methysticin[no description available]low002-pyranones;
aromatic ether
tak 491[no description available]low001,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug
azilsartan[no description available]low001,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent
hydrazinocurcumin[no description available]low00aromatic ether;
olefinic compound;
polyphenol;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
mirodenafil[no description available]low00aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
cerulomycin[no description available]low00aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite
undecylprodigiosin[no description available]low00alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent
sb-590885[no description available]low00aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one[no description available]low00aromatic ether
PF-07304814[no description available]low00aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug
ConditionIndicatedRelationship StrengthStudiesTrials
2019 Novel Coronavirus Disease0low30
2019 Novel Coronavirus Infection0low30
2019-nCoV Disease0low30
2019-nCoV Infection0low30
Abnormalities, Autosome0low20
Abnormalities, Chromosomal0low20
Abnormalities, Chromosome0low20
Abnormalities, Drug-Induced0low10
Ache0low60
Acute Confusional Senile Dementia0low10
Acute Disease0low60
Acute Kidney Failure0low380
Acute Kidney Injury0low380
Acute Kidney Insufficiency0low380
Acute Kidney Tubular Necrosis0low160
Acute Liver Injury, Drug-Induced0low90
Acute Renal Failure0low380
Acute Renal Injury0low380
Acute Renal Insufficiency0low380
Acute Respiratory Distress Syndrome0low10
Addiction, Opioid0low10
Adenocarcinoma0low20
Adenocarcinoma Of Kidney0low60
Adenocarcinoma, Basal Cell0low20
Adenocarcinoma, Granular Cell0low20
Adenocarcinoma, Oxyphilic0low20
Adenocarcinoma, Renal0low60
Adenocarcinoma, Renal Cell0low60
Adenocarcinoma, Tubular0low20
Adenoma0low10
Adenoma, Basal Cell0low10
Adenoma, Follicular0low10
Adenoma, Malignant0low20
Adenoma, Microcystic0low10
Adenoma, Monomorphic0low10
Adenoma, Oxyphilic0low10
Adenoma, Papillary0low10
Adenoma, Trabecular0low10
Adult Fanconi Syndrome0low130
Adult Respiratory Distress Syndrome0low10
Adverse Drug Event0low50
Adverse Drug Reaction0low50
Adverse Effects, Long Term0low10
Age-Related Memory Disorders0low10
Agenesis of Hemidiaphragm0low10
Aging0low20
Agricultural Worker Disease0low10
Agricultural Worker's Disease0low10
Agricultural Workers' Diseases0low10
AIDS-Related Opportunistic Infections0low10
Albuminuria0low30
Allergic Contact Dermatitis0low10
Allergic Reaction0low10
Allergy0low10
Alloxan Diabetes0low10
Alzheimer Dementia0low10
Alzheimer Disease0low10
Alzheimer Disease, Early Onset0low10
Alzheimer Disease, Late Onset0low10
Alzheimer Sclerosis0low10
Alzheimer Syndrome0low10
Alzheimer Type Senile Dementia0low10
Alzheimer-Type Dementia (ATD)0low10
Alzheimer's Disease0low10
Alzheimer's Disease, Focal Onset0low10
Alzheimer's Diseases0low10
American Trypanosomiasis0low10
Amnesia0low10
Amnesia-Memory Loss0low10
Amnesia, Dissociative0low10
Amnesia, Global0low10
Amnesia, Hysterical0low10
Amnesia, Tactile0low10
Amnesia, Temporary0low10
Amnestic State0low10
Anaphylactic Reaction0low10
Anaphylactoid Reaction0low10
Anaphylactoid Shock0low10
Anaphylaxis0low10
Anasarca0low60
Anemia0low20
Anemia, Fanconi0low10
Angiosarcoma0low10
ARDS, Human0low10
Arrhythmia0low10
Arrhythmias, Cardiac0low10
Arrythmia0low10
Arthritis0low20
Atrophy0low20
Autosome Abnormalities0low20
B-Cell Lymphoma0low10
Bacterial Disease0low10
Bacterial Infection0low10
Bacterial Infections0low10
Balkan Endemic Nephropathy0low570
Balkan Nephropathy0low570
Bed Sores0low10
Bedsore0low10
Benign Neoplasms0low240
Berger Disease0low10
Berger's Disease0low10
Bilateral Wilms Tumor0low10
Bile Duct Cancer0low10
Bile Duct Neoplasms0low10
Bites0low10
Bites and Stings0low10
Bladder Cancer0low270
Bladder Neoplasms0low270
Bladder Tumors0low270
Blood Clot0low20
Blood Pressure, High0low20
Blood Pressure, Low0low10
Bochdalek Hernia0low10
Bochdalek Hernias0low10
Body Weight0low170
Brain Vascular Disorders0low10
Breast Cancer0low30
Breast Carcinoma0low30
Breast Neoplasms0low30
Breast Tumors0low30
Bright Disease0low10
Cadaver0low10
Calcinosis-Raynaud Phenomenon-Sclerodactyly-Telangiectasia0low10
Calcinosis, Raynaud's phenomenon, Esophageal dismobility, Sclerodactyly, Telangiectasia Syndrome0low10
Cancer0low240
Cancer of Bile Duct0low10
Cancer of Bladder0low270
Cancer of Breast0low30
Cancer of Colon0low20
Cancer of Kidney0low330
Cancer of Liver0low140
Cancer of Lung0low20
Cancer of Pelvis0low10
Cancer of Pituitary0low10
Cancer of Prostate0low30
Cancer of Skin0low10
Cancer of Spleen0low10
Cancer of Stomach0low70
Cancer of the Bile Duct0low10
Cancer of the Bladder0low270
Cancer of the Breast0low30
Cancer of the Colon0low20
Cancer of the Kidney0low330
Cancer of the Liver0low140
Cancer of the Lung0low20
Cancer of the Pelvis0low10
Cancer of the Pituitary0low10
Cancer of the Prostate0low30
Cancer of the Skin0low10
Cancer of the Spleen0low10
Cancer of the Stomach0low70
Cancer of the Ureter0low120
Cancer of the Urethra0low10
Cancer of the Urinary Tract0low440
Cancer of Ureter0low120
Cancer of Urethra0low10
Cancer of Urinary Tract0low440
Cancer, Hepatocellular0low140
Cancer, Radiation-Induced0low10
Cancer, Second Primary0low10
Carcinogenesis0low60
Carcinoma0low80
Carcinoma in Situ0low10
Carcinoma, Anaplastic0low80
Carcinoma, Cribriform0low20
Carcinoma, Granular Cell0low20
Carcinoma, Hepatocellular0low70
Carcinoma, Hypernephroid0low60
Carcinoma, Intraepithelial0low10
Carcinoma, Papillary0low10
Carcinoma, Preinvasive0low10
Carcinoma, Renal Cell0low60
Carcinoma, Spindle-Cell0low80
Carcinoma, Transitional Cell0low280
Carcinoma, Tubular0low20
Carcinoma, Undifferentiated0low80
Carcinomatosis0low80
Cardiac Arrhythmia0low10
Cardiac Arrhythmias0low10
Cardiac Diseases0low10
Cardiac Disorders0low10
Cardiac Dysrhythmia0low10
Cardiac Failure0low20
Cardiovascular Stroke0low20
Cell Transformation, Neoplastic0low60
Cerebrovascular Diseases0low10
Cerebrovascular Disorders0low10
Cerebrovascular Insufficiency0low10
Cerebrovascular Occlusion0low10
Chagas Disease0low10
Chagas' Disease0low10
Chemical and Drug Induced Liver Injury0low90
Chemical and Drug Induced Liver Injury, Chronic0low10
Chemical-Induced Liver Injury, Chronic0low10
Chemically-Induced Liver Injury, Chronic0low10
Chemically-Induced Liver Toxicity0low90
Cholangiocarcinoma0low10
Cholangiocellular Carcinoma0low10
Cholera Infantum0low10
Chromophil Renal Cell Carcinoma0low60
Chromophobe Renal Cell Carcinoma0low60
Chromosomal Aberrations0low20
Chromosome Aberrations0low20
Chromosome Abnormalities0low20
Chromosome-Defective Micronuclei0low10
Chronic Disease0low100
Chronic Drug-Induced Liver Injury0low10
Chronic Illness0low100
Chronic Kidney Diseases0low200
Chronic Kidney Failure0low340
Chronic Kidney Insufficiency0low200
Chronic Renal Diseases0low200
Chronic Renal Insufficiency0low200
Chronically Ill0low100
Cirrhosis0medium701
Clear Cell Renal Carcinoma0low60
Clear Cell Renal Cell Carcinoma0low60
Cocarcinogenesis0low10
Cognitive Decline0low10
Cognitive Dysfunction0low10
Cognitive Impairments0low10
Collecting Duct Carcinoma0low60
Collecting Duct Carcinoma (Kidney)0low60
Collecting Duct Carcinoma of the Kidney0low60
Colon Cancer0low20
Colon Cancer, Familial Nonpolyposis0low10
Colon Neoplasms0low20
Colonic Cancer0low20
Colonic Neoplasms0low20
Colorectal Cancer Hereditary Nonpolyposis0low10
Colorectal Neoplasms, Hereditary Nonpolyposis0low10
Communicable Diseases0low20
Complication, Postoperative0low10
Complications, Pregnancy0low10
Condition, Preneoplastic0low50
Conditions, Preneoplastic0low50
Congenital Diaphragmatic Defect0low10
Congenital Diaphragmatic Hernia0low10
Congenital Diaphragmatic Hernias0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Congestive Heart Failure0low20
Coronavirus Disease 20190low30
Coronavirus Disease-190low30
Corpse0low10
Cough0low10
COVID-190low30
COVID-19 Pandemic0low30
COVID-19 Pandemics0low30
COVID-19 Virus Disease0low30
COVID-19 Virus Infection0low30
COVID190low30
CREST Syndrome0low10
Cross Infection0low10
CRST Syndrome0low10
Cytogenetic Aberrations0low20
Cytogenetic Abnormalities0low20
Cytomegaloviral Retinitis0low10
Cytomegalovirus Retinitis0low10
Danubian Endemic Familial Nephropathy0low570
De Toni-Debre-Fanconi Syndrome0low130
Decubitus Ulcer0low10
Degenerative Diseases, Central Nervous System0low10
Degenerative Diseases, Nervous System0low10
Degenerative Diseases, Neurologic0low10
Degenerative Diseases, Spinal Cord0low10
Degenerative Neurologic Diseases0low10
Degenerative Neurologic Disorders0low10
Dehydration0low10
Dementia, Alzheimer Type0low10
Dementia, Presenile0low10
Dementia, Primary Senile Degenerative0low10
Dementia, Senile0low10
Dependence, Opioid0low10
Dermatitis0low10
Dermatitis, Allergic Contact0low10
Dermatitis, Allergic Eczematous0low10
Dermatitis, Contact, Allergic0low10
Dermatitis, Eczematous0low20
Dermatoses0low10
Dermatosis0low10
Diabetes Mellitus, Experimental0low10
Diaphragmatic Hernia0low10
Diarrhea0low10
Diathesis0low30
Diffuse Large B-Cell Lymphoma0low10
Diffuse Large-Cell Lymphoma0low10
Diffuse, Large B-Cell, Lymphoma0low10
Disbacteriosis0low10
Disbiosis0low10
Disease Exacerbation0medium181
Disease Models, Animal0low500
Disease Progression0medium181
Disease Susceptibility0low30
Diseases, Occupational0low30
Dropsy0low60
Drug Side Effects0low50
Drug Toxicity0low50
Drug-Induced Abnormalities0low10
Drug-Induced Acute Liver Injury0low90
Drug-Induced Liver Disease0low90
Drug-Induced Liver Injury0low90
Drug-Induced Liver Injury, Chronic0low10
Drug-Related Side Effects and Adverse Reactions0low50
Dys-symbiosis0low10
Dysbacteriosis0low10
Dysbiosis0low10
Dysuria0low10
Ear Diseases0low10
Early Onset Alzheimer Disease0low10
Eczema0low20
Edema0low60
Edema, Pulmonary0low10
Edemas, Pulmonary0low10
Electrolytes0low20
Electron Transport Chain Deficiencies, Mitochondrial0low10
Encephalitis, Polio0low10
Encephalopathy, Toxic0low10
End-Stage Kidney Disease0low340
End-Stage Renal Disease0low340
Endemic Goiter0low10
Endemic Nephropathy, Balkan0low570
Endotoxemia0low10
Endotoxin Shock0low10
Enterocele0low10
Envenomation, Scorpion0low10
Envenomation, Snakebite0low20
Epidemic Acute Poliomyelitis0low10
Epithelial Neoplasms0low10
Epithelial Neoplasms, Malignant0low80
Epithelial Tumors, Malignant0low80
Epithelioma0low80
Equine Diseases0low10
ESRD0low340
Experimental Diabetes Mellitus0low10
Experimental Hepatoma0low10
Experimental Hepatomas0low10
Experimental Liver Neoplasms0low10
Experimental Neoplasms0low70
Extrahepatic Cholangiocarcinoma0low10
Extramembranous Glomerulopathy0low10
Extravascular Hemolysis0low10
Familial Alzheimer Disease (FAD)0low10
Familial Hypokalemic Periodic Paralysis0low10
Familial Nonpolyposis Colon Cancer0low10
Fanconi Anemia0low10
Fanconi Bickel Syndrome0low130
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi Renotubular Syndrome0low130
Fanconi Syndrome0low130
Fanconi Syndrome with Intestinal Malabsorption and Galactose Intolerance0low130
Fanconi Syndrome without Cystinosis0low130
Fanconi-Bickel Syndrome0low130
Fanconi's Anemia0low10
Fatty Liver, Nonalcoholic0low10
Fetal Death0low10
Fetal Demise0low10
Fetal Mummification0low10
Fever, Zika0low10
Fibrosis0medium701
Focal Onset Alzheimer's Disease0low10
Functional Gastrointestinal Disorders0low10
Fungal Diseases0low10
Fungal Infections0low10
Fungus Diseases0low10
Fungus Infections0low10
Furrow Keratitis0low10
Gastric Cancer0low70
Gastric Cancer, Familial Diffuse0low70
Gastric Neoplasms0low70
Gastritis0low10
Gastrointestinal Diseases0low10
Gastrointestinal Disorders0low10
Gastrointestinal Disorders, Functional0low10
Genetic Predisposition0low50
Genetic Predisposition to Disease0low50
Genetic Susceptibility0low50
Genome Instability0low10
Genome Stability0low10
Genomic Instability0low10
Genomic Stability0low10
Genotoxicant-Induced Micronuclei0low10
Germinoblastoma0low10
Glandular and Epithelial Neoplasms0low10
Glandular Neoplasms0low10
Glomerular Necrosis0low10
Glomerulonephritis0low10
Glomerulonephritis, IGA0low10
Glomerulonephritis, Lupus0low10
Glomerulonephritis, Membranous0low10
Glycogen Storage Disease XI0low130
Glycogenosis, Fanconi Type0low130
Goiter, Endemic0low10
Gout0medium21
Granuloma0low10
Granulomas0low10
Grawitz Tumor0low60
Haemolysis0low10
Health Care Associated Infection0low10
Health Care Associated Infections0low10
Healthcare Associated Infections0low10
Heart Attack0low20
Heart Decompensation0low20
Heart Diseases0low10
Heart Disorders0low10
Heart Failure0low20
Heart Failure, Congestive0low20
Heart Failure, Left-Sided0low20
Heart Failure, Right-Sided0low20
Heat Stroke0low10
Heatstroke0low10
Hemangiosarcoma0low10
Hematologic Malignancies0low10
Hematologic Malignancy0low10
Hematologic Neoplasms0low10
Hematological Malignancies0low10
Hematological Neoplasms0low10
Hematopoietic Malignancies0low10
Hematopoietic Neoplasms0low10
Hemolysis0low10
Hepatic Cancer0low140
Hepatic Failure0low10
Hepatic Glycogenosis with Amino Aciduria and Glucosuria0low130
Hepatic Glycogenosis with Fanconi Nephropathy0low130
Hepatic Neoplasms0low140
Hepatitis C0low10
Hepatitis, Chronic, Drug-Induced0low10
Hepatitis, Chronic, Drug-Related0low10
Hepatitis, Drug-Induced0low90
Hepatitis, Toxic0low90
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted0low10
Hepatocellular Cancer0low140
Hepatocellular Carcinoma0low70
Hepatoma0low70
Hepatoma, Experimental0low10
Hepatoma, Morris0low10
Hepatoma, Novikoff0low10
Hepatomas, Experimental0low10
Hepatorenal Glycogenosis with Renal Fanconi Syndrome0low130
Hereditary Nonpolyposis Colon Cancer0low10
Hereditary Nonpolyposis Colorectal Cancer0low10
Hereditary Nonpolyposis Colorectal Neoplasms0low10
Hernia0low10
Hernia, Diaphragmatic0low10
Hernias, Diaphragmatic, Congenital0low10
Heymann Nephritis0low10
Histiocytic Lymphoma0low10
Histiocytic Lymphoma, Diffuse0low10
HIV-Related Opportunistic Infections0low10
HOKPP0low10
Horse Diseases0low10
Hospital Infections0low10
Hospital-Acquired Condition0low30
Huerthle Cell Tumor0low10
Human Mammary Carcinoma0low30
Hurthle Cell Tumor0low10
Hydrops0low60
Hyperkalemia0low10
Hypernephroma0low60
Hyperplasia0low10
Hyperpotassemia0low10
Hypersensitivity0low10
Hypertension0low20
Hyperuricemia0medium21
Hypokalemia0low20
Hypokalemic Periodic Paralysis0low10
Hypokalemic Periodic Paralysis, Familial0low10
HYPOKPP0low10
Hypopotassemia0low20
HYPOPP0low10
Hypotension0low10
Hypotension, Vascular0low10
Iatrogenic Disease0low30
Idiopathic De Toni-Debre-Fanconi Syndrome0low130
Idiopathic Membranous Glomerulonephritis0low10
Idiopathic Membranous Nephropathy0low10
Idiopathic Parkinson Disease0low20
Idiopathic Parkinson's Disease0low20
IGA Glomerulonephritis0low10
IGA Nephropathy0low10
Iga Nephropathy 10low10
Immunoglobulin A Nephropathy0low10
Infantile Paralysis0low10
Infection0low20
Infection and Infestation0low20
Infection, Bacterial0low10
Infection, Cross0low10
Infections0low20
Infections and Infestations0low20
Infections, Bacterial0low10
Infections, Hospital0low10
Infections, Nosocomial0low10
Infections, Plasmodium0low20
Infectious Diseases0low20
Inflammation0low240
Injury, Ischemia-Reperfusion0low30
Injury, Reperfusion0low30
Innate Inflammatory Response0low240
Insect Bites0low10
Insect Bites and Stings0low10
Insect Stings0low10
Interstitial Nephritis0medium371
Intracranial Vascular Disorders0low10
Intraepithelial Neoplasms0low10
Intrahepatic Cholangiocarcinoma0low10
Intravascular Hemolysis0low10
Invasiveness, Neoplasm0low10
Ischemia0low10
Ischemia-Reperfusion Injury0low30
Itching0low10
Keratitis, Dendritic0low10
Keratitis, Furrow0low10
Kidney Cancer0low330
Kidney Cortex Necrosis0low10
Kidney Diseases0low1460
Kidney Failure0medium171
Kidney Failure, Acute0low380
Kidney Failure, Chronic0low340
Kidney Insufficiency0medium171
Kidney Insufficiency, Acute0low380
Kidney Insufficiency, Chronic0low200
Kidney Neoplasms0low330
Kidney Papillary Necrosis0low10
Kidney Scarring0low10
Kidney Tubular Necrosis, Acute0low160
Koch's Disease0low10
Kochs Disease0low10
Large Lymphoid Lymphoma, Diffuse0low10
Large-Cell Lymphoma, Diffuse0low10
Late Onset Alzheimer Disease0low10
Left-Sided Heart Failure0low20
Leucocythaemia0low20
Leucocythemia0low20
Leukemia0low20
Leukemia P3880low10
Lewy Body Parkinson Disease0low20
Lewy Body Parkinson's Disease0low20
Lignac-Fanconi Syndrome0low130
Liver Cancer0low140
Liver Cancer, Adult0low70
Liver Cell Carcinoma0low70
Liver Cell Carcinoma, Adult0low70
Liver Failure0low10
Liver Injury, Drug-Induced0low90
Liver Injury, Drug-Induced, Acute0low90
Liver Injury, Drug-Induced, Chronic0low10
Liver Neoplasms0low140
Liver Neoplasms, Experimental0low10
Local Neoplasm Recurrence0low20
Local Neoplasm Recurrences0low20
Locoregional Neoplasm Recurrence0low20
Long Term Adverse Effects0low10
Low Blood Pressure0low10
Lower Nephron Nephrosis0low160
Luder-Sheldon Syndrome0low130
Lung Cancer0low20
Lung Neoplasms0low20
Lupus Glomerulonephritis0low10
Lupus Nephritis0low10
Lymphoma0low10
Lymphoma, B-Cell0low10
Lymphoma, Diffuse Large-Cell0low10
Lymphoma, Histiocytic0low10
Lymphoma, Histiocytic, Diffuse0low10
Lymphoma, Large B-Cell, Diffuse0low10
Lymphoma, Large Cell, Diffuse0low10
Lymphoma, Large Lymphoid, Diffuse0low10
Lymphoma, Large-Cell, Diffuse0low10
Lymphoma, Malignant0low10
Lynch Cancer Family Syndrome I0low10
Lynch Syndrome0low10
Lynch Syndrome I0low10
Malaria0low20
Malaria, Falciparum0low10
Malignancies, Hematologic0low10
Malignancy0low240
Malignancy, Hematologic0low10
Malignant Epithelial Neoplasms0low80
Malignant Neoplasm of Breast0low30
Malignant Neoplasms0low240
Malignant Tumor of Breast0low30
Malignant Tumor of Urinary Bladder0low270
Mammary Cancer0low30
Mammary Carcinoma, Human0low30
Mammary Neoplasm, Human0low30
Mammary Neoplasms, Human0low30
Marsh Fever0low20
Membranous Glomerulonephropathy0low10
Membranous Glomerulopathy0low10
Membranous Nephropathy0low10
Memory Deficits0low10
Memory Disorder, Semantic0low10
Memory Disorder, Spatial0low10
Memory Disorders0low10
Memory Disorders, Age-Related0low10
Memory Loss0low10
Mental Deterioration0low10
Mesenchymoma0low10
Metachronous Neoplasms0low10
Metachronous Second Primary Neoplasms0low10
Micronuclei, Chromosome-Defective0low10
Micronuclei, Genotoxicant-Induced0low10
Micronucleus, Chromosome-Defective0low10
Mild Cognitive Impairment0low10
Mild Neurocognitive Disorder0low10
Mitochondrial Diseases0low10
Mitochondrial Disorders0low10
Mitochondrial Electron Transport Chain Deficiencies0low10
Mitochondrial Respiratory Chain Deficiencies0low10
Morgagni Hernia0low10
Morgagni Hernias0low10
Morgagni's Hernia0low10
Morgagni's Hernias0low10
Mucositis, Oral0low10
Multiple Primary Neoplasms0low10
Multiple Primary Neoplasms, Synchronous0low10
Muscle Contraction0low20
Muscle Disorders0low10
Muscle Relaxation0low20
Muscle Spasm0low10
Muscular Diseases0low10
Muscular Spasm0low10
Mushroom Poisoning0low10
Mycobacterium tuberculosis Infection0low10
Mycoses0low10
Myocardial Failure0low20
Myocardial Infarct0low20
Myocardial Infarction0low20
Myopathic Conditions0low10
Myopathies0low10
NAFLD0low10
Nasal Catarrh0low10
Necrosis0low40
Neonatal De Toni-Debre-Fanconi Syndrome0low130
Neoplasia0low240
Neoplasm0low240
Neoplasm Invasion0low10
Neoplasm Invasiveness0low10
Neoplasm Recurrence, Local0low20
Neoplasm Recurrence, Locoregional0low20
Neoplasm Recurrences, Local0low20
Neoplasms0low240
Neoplasms of Pelvis0low10
Neoplasms of Ureter0low120
Neoplasms, Benign0low240
Neoplasms, Bile Duct0low10
Neoplasms, Bladder0low270
Neoplasms, Breast0low30
Neoplasms, Colonic0low20
Neoplasms, Epithelial0low10
Neoplasms, Experimental0low70
Neoplasms, Experimental Liver0low10
Neoplasms, Gastric0low70
Neoplasms, Glandular0low10
Neoplasms, Glandular and Epithelial0low10
Neoplasms, Glandular Epithelial0low10
Neoplasms, Hematologic0low10
Neoplasms, Hematopoietic0low10
Neoplasms, Hepatic0low140
Neoplasms, Intraepithelial0low10
Neoplasms, Kidney0low330
Neoplasms, Liver0low140
Neoplasms, Lung0low20
Neoplasms, Malignant Epithelial0low80
Neoplasms, Metachronous0low10
Neoplasms, Metachronous Second Primary0low10
Neoplasms, Multiple Primary0low10
Neoplasms, Prostate0low30
Neoplasms, Prostatic0low30
Neoplasms, Pulmonary0low20
Neoplasms, Radiation-Induced0low10
Neoplasms, Second Primary0low10
Neoplasms, Skin0low10
Neoplasms, Splenic0low10
Neoplasms, Stomach0low70
Neoplasms, Synchronous0low10
Neoplasms, Synchronous Multiple Primary0low10
Neoplasms, Therapy-Associated0low10
Neoplasms, Therapy-Related0low10
Neoplasms, Treatment-Associated0low10
Neoplasms, Treatment-Related0low10
Neoplasms, Ureteral0low120
Neoplasms, Urethral0low10
Neoplasms, Urologic0low440
Neoplastic Cell Transformation0low60
Neoplastic Transformation, Cell0low60
Nephritis0low80
Nephritis, IGA Type0low10
Nephritis, Interstitial0medium371
Nephritis, Lupus0low10
Nephritis, Tubulointerstitial0medium371
Nephroblastoma0low10
Nephroid Carcinoma0low60
Nephropathy, Balkan0low570
Nephropathy, IGA0low10
Nephropathy, Membranous0low10
Nephrosclerosis0low20
Nephrotic Syndrome0low10
Nervous System Degenerative Diseases0low10
Nervous System Poisoning0low10
Neuroblastoma0low10
Neurodegenerative Diseases0low10
Neurodegenerative Disorders0low10
Neurologic Degenerative Conditions0low10
Neurologic Degenerative Diseases0low10
Neurologic Diseases, Degenerative0low10
Neurotoxic Disorders0low10
Neurotoxicity Syndromes0low10
Neurotoxin Diseases0low10
Neurotoxin Disorders0low10
Non-alcoholic Fatty Liver Disease0low10
Nonalcoholic Fatty Liver Disease0low10
Nonalcoholic Steatohepatitis0low10
Nosocomial Infections0low10
Obesity0low30
Occupational Diseases0low30
Occupational Illnesses0low30
Oncocytoma0low10
Oncogenesis0low60
Opiate Abuse0low10
Opiate Addiction0low10
Opiate Dependence0low10
Opioid Abuse0low10
Opioid Addiction0low10
Opioid Dependence0low10
Opioid Misuse0low10
Opioid Use Disorder0low10
Opioid-Related Disorders0low10
Opportunistic Infections, AIDS-Related0low10
Opportunistic Infections, HIV-Related0low10
Oral Mucositis0low10
Oromucositis0low10
Osteogenic Sarcoma0low10
Osteomyelitis0low10
Osteosarcoma0low10
Osteosarcoma Tumor0low10
Otologic Diseases0low10
Otological Diseases0low10
Oxidative Phosphorylation Deficiencies0low10
P388D(1) Leukemia0low10
Pain0low60
Pain, Burning0low60
Pain, Crushing0low60
Pain, Migratory0low60
Pain, Radiating0low60
Pain, Splitting0low60
Palmoplantaris Pustulosis0low10
Palsy0low10
Paludism0low20
Papillary Renal Cell Carcinoma0low60
Papilloma0low10
Papilloma, Squamous Cell0low10
Papillomatosis0low10
Paralysis0low10
Paralysis Agitans0low20
Paralysis, Hypokalemic Periodic0low10
Parenterally-Transmitted Non-A, Non-B Hepatitis0low10
Parkinson Disease0low20
Parkinson Disease, Idiopathic0low20
Parkinson's Disease0low20
Parkinson's Disease, Idiopathic0low20
Parkinson's Disease, Lewy Body0low20
Pediatric Respiratory Distress Syndrome0low10
Pelvic Cancer0low10
Pelvic Neoplasms0low10
Pelvis Cancer0low10
Pelvis Neoplasms0low10
Periodic Paralysis- Hypokalemic0low10
Peripheral Nerve Diseases0low10
Peripheral Nervous System Disease0low10
Peripheral Nervous System Diseases0low10
Peripheral Nervous System Disorders0low10
Peripheral Neuropathies0low10
Pituitary Adenoma0low10
Pituitary Cancer0low10
Pituitary Carcinoma0low10
Pituitary Neoplasms0low10
Pituitary Tumors0low10
Plant Poisoning0low20
Plasmodium falciparum Malaria0low10
Plasmodium Infections0low20
Plegia0low10
Pleural Effusion0low10
PNS (Peripheral Nervous System) Diseases0low10
PNS Diseases0low10
Poisoning0low10
Poisoning, Mushroom0low10
Poisoning, Nervous System0low10
Poisoning, Plant0low20
Polio0low10
Polio Encephalitis0low10
Poliomyelitis0low10
Poliomyelitis Infection0low10
Poliomyelitis, Acute0low10
Poliomyelitis, Nonpoliovirus0low10
Poliomyelitis, Preparalytic0low10
Polyarthritis0low20
Polyploid0low10
Polyploid Cell0low10
Polyploidy0low10
Postoperative Complications0low10
Precancerous Conditions0low50
Predisposition, Genetic0low50
Pregnancy0low50
Pregnancy Complications0low10
Preneoplastic Condition0low50
Preneoplastic Conditions0low50
Prescription Opioid Abuse0low10
Prescription Opioid Misuse0low10
Presenile Alzheimer Dementia0low10
Pressure Sore0low10
Pressure Ulcer0low10
Primary Hypokalemic Periodic Paralysis0low10
Primary Parkinsonism0low20
Primary Senile Degenerative Dementia0low10
Primary Toni-Debre-Fanconi Syndrome0low130
Prostate Cancer0low30
Prostate Neoplasms0low30
Prostatic Cancer0low30
Prostatic Neoplasms0low30
Proteinuria0low90
Proximal Renal Tubular Dysfunction0low130
Pruritis0low10
Pruritus0low10
Pseudo-Phlorizin Diabetes0low130
Psoriasis0low10
PT-NANBH0low10
Pulmonary Cancer0low20
Pulmonary Edema0low10
Pulmonary Edemas0low10
Pulmonary Neoplasms0low20
Pus0low20
Pustular Psoriasis of Palms and Soles0low10
Pustulosis of Palms and Soles0low10
Pustulosis Palmaris et Plantaris0low10
Radiation-Induced Cancer0low10
Radiation-Induced Neoplasms0low10
Recrudescence0low20
Recurrence0low20
Recurrence, Local Neoplasm0low20
Recurrence, Locoregional Neoplasm0low20
Recurrences, Local Neoplasm0low20
Relapse0low20
Remittent Fever0low20
Renal Cancer0low330
Renal Carcinoma0low60
Renal Cell Cancer0low60
Renal Cell Carcinoma0low60
Renal Cell Carcinoma, Papillary0low60
Renal Collecting Duct Carcinoma0low60
Renal Cortical Necrosis0low10
Renal Disease, End-Stage0low340
Renal Failure0medium171
Renal Failure, Acute0low380
Renal Failure, Chronic0low340
Renal Failure, End-Stage0low340
Renal Fanconi Syndrome0low130
Renal Insufficiency0medium171
Renal Insufficiency, Acute0low380
Renal Insufficiency, Chronic0low200
Renal Medullary Necrosis0low10
Renal Neoplasms0low330
Renal Papillitis, Necrotizing0low10
Renal Tubule Necrosis0low10
Reperfusion Damage0low30
Reperfusion Injury0low30
Respiratory Chain Deficiencies, Mitochondrial0low10
Respiratory Distress Syndrome0low10
Respiratory Distress Syndrome, Acute0low10
Respiratory Distress Syndrome, Adult0low10
Respiratory Distress Syndrome, Pediatric0low10
Retention Disorders, Cognitive0low10
Reticulolymphosarcoma0low10
Retinitis, Cytomegalovirus0low10
Rhinitis0low10
Right-Sided Heart Failure0low20
Sarcoma0low10
Sarcoma, Epithelioid0low10
Sarcoma, Germinoblastic0low10
Sarcoma, Osteogenic0low10
Sarcoma, Soft Tissue0low10
Sarcoma, Spindle Cell0low10
Sarcomatoid Renal Cell Carcinoma0low60
SARS Coronavirus 2 Infection0low30
SARS-CoV-2 Infection0low30
Scorpion Envenoming0low10
Scorpion Stings0low10
Scorpionism0low10
Second Cancer0low10
Second Malignancy0low10
Second Neoplasm0low10
Second Primary Neoplasms0low10
Second Primary Neoplasms, Metachronous0low10
Semantic Memory Disorder0low10
Senile Dementia, Acute Confusional0low10
Senile Dementia, Alzheimer Type0low10
Sensitivity and Specificity0low150
Septic Shock0low10
Shock Lung0low10
Shock, Anaphylactic0low10
Shock, Endotoxic0low10
Shock, Septic0low10
Shock, Toxic0low10
Side Effects of Drugs0low50
Skin and Subcutaneous Tissue Disorders0low10
Skin Cancer0low10
Skin Diseases0low10
Skin Neoplasms0low10
Snake Bites0low20
Snake Envenoming0low20
Snakebites0low20
Spasm0low10
Spasm, Ciliary Body0low10
Spasm, Generalized0low10
Spatial Memory Disorder0low10
Spleen Cancer0low10
Spleen Neoplasms0low10
Splenic Cancer0low10
Splenic Neoplasms0low10
Stings0low10
Stings and Bites0low10
Stomach Cancer0low70
Stomach Neoplasms0low70
Stomatitis0low10
Streptozocin Diabetes0low10
Streptozotocin Diabetes0low10
Suffering, Physical0low60
Suppuration0low20
Susceptibility, Disease0low30
Susceptibility, Genetic0low50
Synchronous Multiple Primary Neoplasms0low10
Synchronous Neoplasms0low10
Therapy-Associated Cancer0low10
Therapy-Associated Neoplasms0low10
Therapy-Related Cancer0low10
Therapy-Related Neoplasms0low10
Thrombosis0low20
Thrombus0low20
Todd Paralysis0low10
Todd's Paralysis0low10
Toni-Debre-Fanconi Syndrome0low130
Toxic Encephalitis0low10
Toxic Hepatitis0low90
Toxic Shock0low10
Toxic Shock Syndrome0low10
Toxicity, Drug0low50
Transformation, Neoplastic Cell0low60
Treatment-Associated Cancer0low10
Treatment-Associated Neoplasms0low10
Treatment-Related Cancer0low10
Treatment-Related Neoplasms0low10
Trypanosoma cruzi Infection0low10
Trypanosomiasis, South American0low10
Tuberculosis0low10
Tubulointerstitial Nephritis0medium371
Tumorigenesis0low60
Tumorigenic Transformation0low60
Tumors0low240
Tumors, Breast0low30
Unilateral Agenesis of Diaphragm0low10
Uremia0low20
Ureter Cancer0low120
Ureter Neoplasms0low120
Ureter, Cancer Of0low120
Ureteral Cancer0low120
Ureteral Neoplasms0low120
Ureteral Obstruction0low60
Urethra Cancer0low10
Urethra Neoplasms0low10
Urethral Cancer0low10
Urethral Neoplasms0low10
Urinary Bladder Cancer0low270
Urinary Bladder Neoplasms0low270
Urinary Tract Cancer0low440
Urinary Tract Neoplasms0low440
Urologic Cancer0low440
Urologic Neoplasms0low440
Urological Cancer0low440
Urological Neoplasms0low440
Uveitis0low10
Vascular Diseases0low10
Vascular Diseases, Intracranial0low10
Vascular Hypotension0low10
Viral Diseases0low10
Viral Infections0low10
Virus Diseases0low10
Virus Infections0low10
Water Stress0low10
Weight Gain0low20
Weight Loss0low20
Weight Reduction0low20
Westphall Disease0low10
Wet Lung0low10
Wilms Tumor0low10
Wilms Tumor 10low10
Wilms' Tumor0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (91)

ArticleYear
Investigation of the applicability of the zebrafish model for the evaluation of aristolochic acid-related nephrotoxicity.
Phytomedicine : international journal of phytotherapy and phytopharmacology, Volume: 121		2023
MiR-766-3p and miR-671-5p attenuate aristolochic acid-induced hepatotoxicity by directly targeting the key bioactivating enzyme NQO1.
Ecotoxicology and environmental safety, Volume: 261		2023
Study on the difference and correlation between the contents and toxicity of aristolochic acid analogues in Aristolochia plants.
Journal of ethnopharmacology, Oct-28, Volume: 315		2023
Differences in p38-STAT3-S100A11 signaling after the administration of aristolochic acid I and IVa may account for the disparity in their nephrotoxicity.
Phytomedicine : international journal of phytotherapy and phytopharmacology, Volume: 114		2023
The Presence of Testis Determines Aristolochic Acid-Induced Nephrotoxicity in Mice.
Toxins, 02-01, Volume: 15, Issue: 2		2023
Long-term oral administration of Asarum heterotropoides f. mandshuricum (Maxim.) Kitag. decoction and its aristolochic acid analogs do not cause renal toxicity in mice.
Journal of ethnopharmacology, May-10, Volume: 307		2023
[Risk assessment, safe medication and scientific supervision of traditional Chinese medicine containing aristolochic acids--toxicity is different among aristolochic acids, and detection and control of aristolochic acid Ⅰ/Ⅱ is critical].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 47, Issue: 14		2022
Protective Effects of Mitochondrial Uncoupling Protein 2 against Aristolochic Acid I-Induced Toxicity in HK-2 Cells.
International journal of molecular sciences, Mar-27, Volume: 23, Issue: 7		2022
Schisandra chinensis Oil Attenuates Aristolochic Acid I-Induced Nephrotoxicity in vivo and in vitro.
Chinese journal of integrative medicine, Volume: 28, Issue: 7		2022
Differential comparison of genotoxic effects of aristolochic acid I and II in human cells by the mass spectroscopic quantification of γ-H2AX.
Toxicology in vitro : an international journal published in association with BIBRA, Volume: 81		2022
Study on the potential nephrotoxicity and mutagenicity of aristolochic acid IVa and its mechanism.
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, Volume: 142		2021
Berberine-Based Heterogeneous Linear Supramolecules Neutralized the Acute Nephrotoxicity of Aristolochic Acid by the Self-Assembly Strategy.
ACS applied materials & interfaces, Jul-21, Volume: 13, Issue: 28		2021
Evaluation of the nephrotoxicity and safety of low-dose aristolochic acid, extending to the use of Xixin (Asurum), by determination of methylglyoxal and d-lactate.
Journal of ethnopharmacology, May-23, Volume: 272		2021
Benchmark dose analysis of multiple genotoxicity endpoints in gpt delta mice exposed to aristolochic acid I.
Mutagenesis, 04-28, Volume: 36, Issue: 1		2021
Kidney-based in vivo model for drug-induced nephrotoxicity testing.
Scientific reports, 08-14, Volume: 10, Issue: 1		2020
Aristolochic Acid-Induced Nephrotoxicity: Molecular Mechanisms and Potential Protective Approaches.
International journal of molecular sciences, Feb-10, Volume: 21, Issue: 3		2020
Assessment of nephrotoxicity of herbal medicine containing aristolochic acid in mice.
The Korean journal of internal medicine, Volume: 35, Issue: 2		2020
The Disturbance of Hepatic and Serous Lipids in Aristolochic Acid Ι Induced Rats for Hepatotoxicity Using Lipidomics Approach.
Molecules (Basel, Switzerland), Oct-17, Volume: 24, Issue: 20		2019
Untargeted LC-MS-based metabonomics revealed that aristolochic acid I induces testicular toxicity by inhibiting amino acids metabolism, glucose metabolism, β-oxidation of fatty acids and the TCA cycle in male mice.
Toxicology and applied pharmacology, 06-15, Volume: 373		2019
Comparison of Aristolochic acid I derived DNA adduct levels in human renal toxicity models.
Toxicology, 05-15, Volume: 420		2019
Environmental and Genetic Factors Influencing Kidney Toxicity.
Seminars in nephrology, Volume: 39, Issue: 2		2019
Acute Toxicity and Sub-lethal Effects of the Essential Oil of Aristolochia trilobata and Its Major Constituents on Nasutitermes corniger (Termitidae: Nasutitermitinae).
Neotropical entomology, Volume: 48, Issue: 3		2019
Recognition of the toxicity of aristolochic acid.
Journal of clinical pharmacy and therapeutics, Volume: 44, Issue: 2		2019
Synthesis, characterization, solubilization, cytotoxicity and antioxidant activity of aminomethylated dihydroquercetin.
MedChemComm, Feb-01, Volume: 8, Issue: 2		2017
[Current research situation of nephrotoxicity of Chinese herbal medicine].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 43, Issue: 3		2018
[Study and opinion on toxicity of aristolochic acid].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 42, Issue: 21		2017
Human liver-kidney model elucidates the mechanisms of aristolochic acid nephrotoxicity.
JCI insight, 11-16, Volume: 2, Issue: 22		2017
Urinary Time- or Dose-Dependent Metabolic Biomarkers of Aristolochic Acid-Induced Nephrotoxicity in Rats.
Toxicological sciences : an official journal of the Society of Toxicology, 03-01, Volume: 156, Issue: 1		2017
Omeprazole Alleviates Aristolochia manshuriensis Kom-Induced Acute Nephrotoxicity.
PloS one, Volume: 11, Issue: 10		2016
Expression of Renal Aquaporins in Aristolochic Acid I and Aristolactam I-Induced Nephrotoxicity.
Nephron, Volume: 133, Issue: 3		2016
Predicting points of departure for risk assessment based on in vitro cytotoxicity data and physiologically based kinetic (PBK) modeling: The case of kidney toxicity induced by aristolochic acid I.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 92		2016
Acute nephrotoxicity of aristolochic acid in vitro: metabolomics study for intracellular metabolic time-course changes.
Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals, Volume: 21, Issue: 3		2016
[Application of ultra high performance liquid chromatography-mass spectrometry to metabolomics study of drug-induced hepatotoxicity].
Se pu = Chinese journal of chromatography, Volume: 33, Issue: 7		2015
Aristolochic Acid I Causes Testis Toxicity by Inhibiting Akt and ERK1/2 Phosphorylation.
Chemical research in toxicology, Jan-19, Volume: 29, Issue: 1		2016
New in vitro insights on a cell death pathway induced by magnolol and honokiol in aristolochic acid tubulotoxicity.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 87		2016
Evaluation of nephrotoxic effects of aristolochic acid on zebrafish (Danio rerio) larvae.
Human & experimental toxicology, Volume: 35, Issue: 9		2016
In vitro genotoxicity tests point to an unexpected and harmful effect of a Magnolia and Aristolochia association.
Journal of ethnopharmacology, Nov-04, Volume: 174		2015
Vitamin C attenuates the toxic effect of aristolochic acid on renal tubular cells via decreasing oxidative stress‑mediated cell death pathways.
Molecular medicine reports, Volume: 12, Issue: 4		2015
Safety concerns of herbal products and traditional Chinese herbal medicines: dehydropyrrolizidine alkaloids and aristolochic acid.
Journal of applied toxicology : JAT, Volume: 35, Issue: 12		2015
Urinary metabolomics and biomarkers of aristolochic acid nephrotoxicity by UPLC-QTOF/HDMS.
Bioanalysis, Volume: 7, Issue: 6		2015
In vitro effects of Panax ginseng in aristolochic acid-mediated renal tubulotoxicity: apoptosis versus regeneration.
Planta medica, Volume: 81, Issue: 5		2015
Human bone morphogenetic protein-7 does not counteract aristolochic acid-induced renal toxicity.
Journal of applied toxicology : JAT, Volume: 35, Issue: 12		2015
Toxicity of aristolochic acids isolated from Aristolochia indica Linn (Aristolochiaceae) against the malarial vector Anopheles stephensi Liston (Diptera: Culicidae).
Experimental parasitology, Volume: 153		2015
Aristolochic Acid I induces ovarian toxicity by inhibition of akt phosphorylation.
Chemical research in toxicology, Dec-15, Volume: 27, Issue: 12		2014
[Advance in studies on toxicity of aristolochic acid and analysis on risk factors].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 39, Issue: 12		2014
Increased renal semicarbazide-sensitive amine oxidase activity and methylglyoxal levels in aristolochic acid-induced nephrotoxicity.
Life sciences, Sep-26, Volume: 114, Issue: 1		2014
Acute and subacute toxicity of the extract of Aristolochiae fructus and honey-fried Aristolochiae fructus in rodents.
Biological & pharmaceutical bulletin, Volume: 37, Issue: 3		2014
Molecular identification and cytotoxicity study of herbal medicinal materials that are confused by Aristolochia herbs.
Food chemistry, Mar-15, Volume: 147		2014
Evaluation of the cytotoxicity and genotoxicity of aristolochic acid I - a component of Aristolochiaceae plant extracts used in homeopathy.
Environmental toxicology and pharmacology, Volume: 35, Issue: 2		2013
Antitubercular activity and the subacute toxicity of (-)-Licarin A in BALB/c mice: a neolignan isolated from Aristolochia taliscana.
Archives of medical research, Volume: 44, Issue: 2		2013
The safety of Homnawakod herbal formula containing Aristolochia tagala Cham. in Wistar rats.
BMC complementary and alternative medicine, Oct-03, Volume: 12		2012
Possible role of mtDNA depletion and respiratory chain defects in aristolochic acid I-induced acute nephrotoxicity.
Toxicology and applied pharmacology, Jan-15, Volume: 266, Issue: 2		2013
Developmental nephrotoxicity of aristolochic acid in a zebrafish model.
Toxicology and applied pharmacology, May-15, Volume: 261, Issue: 1		2012
Assessment of the role of renal organic anion transporters in drug-induced nephrotoxicity.
Toxins, Volume: 2, Issue: 8		2010
Critical role of organic anion transporters 1 and 3 in kidney accumulation and toxicity of aristolochic acid I.
Molecular pharmaceutics, Dec-05, Volume: 8, Issue: 6		2011
Inhibition of renal NQO1 activity by dicoumarol suppresses nitroreduction of aristolochic acid I and attenuates its nephrotoxicity.
Toxicological sciences : an official journal of the Society of Toxicology, Volume: 122, Issue: 2		2011
Evaluation of microwave-assisted extraction for aristolochic acid from Aristolochiae Fructus by chromatographic analysis coupled with nephrotoxicity studies.
Biomedical chromatography : BMC, Volume: 26, Issue: 2		2012
Genetic loci that affect aristolochic acid-induced nephrotoxicity in the mouse.
American journal of physiology. Renal physiology, Volume: 300, Issue: 6		2011
Renal liver-type fatty acid binding protein (L-FABP) attenuates acute kidney injury in aristolochic acid nephrotoxicity.
The American journal of pathology, Volume: 178, Issue: 3		2011
[Comparative study on metabonomics and on liver and kidney toxicity of Aristolochia fangchi and Stephania tetrandra].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 35, Issue: 21		2010
Comparative nephrotoxicity of aristolochic acid and tetrandrine in vitro and in vivo.
International journal of toxicology, Volume: 30, Issue: 1		2011
Detoxification of aristolochic acid I by O-demethylation: less nephrotoxicity and genotoxicity of aristolochic acid Ia in rodents.
International journal of cancer, Sep-01, Volume: 127, Issue: 5		2010
Assessment of herbal medicinal products: challenges, and opportunities to increase the knowledge base for safety assessment.
Toxicology and applied pharmacology, Mar-01, Volume: 243, Issue: 2		2010
[Nephrotoxicity study of Aristolochia fangchi in rats by metabonomics].
Zhong xi yi jie he xue bao = Journal of Chinese integrative medicine, Volume: 7, Issue: 8		2009
[Effects of cytochrome P450 isozymes on aristolochic acid renal cytotoxicity].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 33, Issue: 17		2008
Comparative study on the aristolochic acid I content of Herba Asarifor safe use.
Phytomedicine : international journal of phytotherapy and phytopharmacology, Volume: 15, Issue: 9		2008
Comparative 28-day repeated oral toxicity of Longdan Xieganwan, Akebia trifoliate (Thunb.) koidz., Akebia quinata (Thunb.) Decne. and Caulis aristolochiae manshuriensis in mice.
Journal of ethnopharmacology, Sep-02, Volume: 119, Issue: 1		2008
Species-specific toxicity of aristolochic acid (AA) in vitro.
Toxicology in vitro : an international journal published in association with BIBRA, Volume: 22, Issue: 5		2008
Hepatic cytochrome P450s metabolize aristolochic acid and reduce its kidney toxicity.
Kidney international, Volume: 73, Issue: 11		2008
Short-term toxicity of aristolochic acid, aristolochic acid-I and aristolochic acid-II in rats.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 46, Issue: 3		2008
[Nephrotoxicity of Radix Aristolochice and it's substitution material Radix Inulae in rats].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 32, Issue: 19		2007
[Nephrotoxicity of Aristolochia manshriensis and Longdan Xiegan decoction].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 32, Issue: 7		2007
Pharmacokinetics and nephrotoxicity of aristolochic acid in rabbits.
Toxicon : official journal of the International Society on Toxinology, Volume: 50, Issue: 2		2007
Genotoxic effect and nitrative DNA damage in HepG2 cells exposed to aristolochic acid.
Mutation research, Jun-15, Volume: 630, Issue: 1-2		2007
Selective toxicity of aristolochic acids I and II.
Drug metabolism and disposition: the biological fate of chemicals, Volume: 35, Issue: 7		2007
In vitro cytotoxicity assay with selected chemicals using human cells to predict target-organ toxicity of liver and kidney.
Toxicology in vitro : an international journal published in association with BIBRA, Volume: 21, Issue: 4		2007
Metabolic profiling using combined GC-MS and LC-MS provides a systems understanding of aristolochic acid-induced nephrotoxicity in rat.
FEBS letters, Feb-20, Volume: 581, Issue: 4		2007
[The nephrotoxicity in rats caused by Longdan Xiegan decoction].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 31, Issue: 10		2006
Metabonomic study of aristolochic acid-induced nephrotoxicity in rats.
Journal of proteome research, Volume: 5, Issue: 4		2006
Cytotoxicity of phenanthrenes extracted from Aristolochia contorta in human proximal tubular epithelial cell line.
Nephron. Experimental nephrology, Volume: 103, Issue: 3		2006
NMR-based metabonomic study on the subacute toxicity of aristolochic acid in rats.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 44, Issue: 7		2006
[Nephrotoxicity of Aristolochia manshuriensis and aristolochic acids in mice].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 30, Issue: 13		2005
Molecular mechanisms of toxicity of important food-borne phytotoxins.
Molecular nutrition & food research, Volume: 49, Issue: 2		2005
Application of simplified in vitro screening tests to detect genotoxicity of aristolochic acid.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 42, Issue: 12		2004
Studies on the toxicity of Aristolochia manshuriensis (Guanmuton).
Toxicology, May-20, Volume: 198, Issue: 1-3		2004
Acute nephrotoxicity of aristolochic acids in mice.
The Journal of pharmacy and pharmacology, Volume: 56, Issue: 2		2004
The nephrotoxicity of Aristolochia manshuriensis in rats is attributable to its aristolochic acids.
Clinical and experimental nephrology, Volume: 7, Issue: 3		2003
Role of phospholipase A2 activation and calcium in CYP2E1-dependent toxicity in HepG2 cells.
The Journal of biological chemistry, Sep-05, Volume: 278, Issue: 36		2003
Effects of dexfenfluramine on aristolochic acid nephrotoxicity in a rat model for Chinese-herb nephropathy.
Archives of toxicology, Volume: 77, Issue: 4		2003
Toxicity of the Chinese herb mu tong (Aristolochia manshuriensis). What history tells us.
Adverse drug reactions and toxicological reviews, Volume: 21, Issue: 4		2002
Acute toxicity of aristolochic acid in rodents.
Archives of toxicology, Volume: 59, Issue: 5		1987
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (6)

ArticleYear
Long-term oral administration of Asarum heterotropoides f. mandshuricum (Maxim.) Kitag. decoction and its aristolochic acid analogs do not cause renal toxicity in mice.
Journal of ethnopharmacology, May-10, Volume: 307		2023
Mechanism of chronic aristolochic acid nephropathy: role of Smad3.
American journal of physiology. Renal physiology, Volume: 298, Issue: 4		2010
[Influence of long-term use of low dose caulis Aristolochiae manshuriensis on partial nephrectomized rats].
Zhongguo Zhong xi yi jie he za zhi Zhongguo Zhongxiyi jiehe zazhi = Chinese journal of integrated traditional and Western medicine, Volume: 22, Issue: 6		2002
Aristolochic acid as a probable human cancer hazard in herbal remedies: a review.
Mutagenesis, Volume: 17, Issue: 4		2002
Chronic aristolochic acid toxicity in rabbits: a model of Chinese herbs nephropathy?
Kidney international, Volume: 59, Issue: 6		2001
Quantitative analysis of aristolochic acids, toxic compounds, contained in some medicinal plants.
Journal of ethnopharmacology, Volume: 64, Issue: 2		1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (8)

ArticleYear
Effects of rhein and Rheum palmatum L. extract on the pharmacokinetics and tissue distribution of aristolochic acid I and its demethylated metabolite in rats.
Journal of ethnopharmacology, Mar-01, Volume: 267		2021
Comparative studies on the multi-component pharmacokinetics of Aristolochiae Fructus and honey-fried Aristolochiae Fructus extracts after oral administration in rats.
BMC complementary and alternative medicine, Feb-10, Volume: 17, Issue: 1		2017
[Study of pharmacokinetics of aristolochic acid I and II in rats].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 33, Issue: 19		2008
Fetal magnetic resonance imaging in isolated diaphragmatic hernia: volume of herniated liver and neonatal outcome.
American journal of obstetrics and gynecology, Volume: 200, Issue: 3		2009
Pharmacokinetics and nephrotoxicity of aristolochic acid in rabbits.
Toxicon : official journal of the International Society on Toxinology, Volume: 50, Issue: 2		2007
[Pharmacodynamic and toxicologic comparative study of crude and processed radix aristolochice].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 32, Issue: 5		2007
[Advances in studies on pharmacokinetics of aristolochic acid I].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 31, Issue: 19		2006
[Studies on pharmacodynamic characteristics of aristolochic acid I in rats].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 29, Issue: 7		2004
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (3)

ArticleYear
Synthesis, characterization, solubilization, cytotoxicity and antioxidant activity of aminomethylated dihydroquercetin.
MedChemComm, Feb-01, Volume: 8, Issue: 2		2017
Restored nitric oxide bioavailability reduces the severity of acute-to-chronic transition in a mouse model of aristolochic acid nephropathy.
PloS one, Volume: 12, Issue: 8		2017
Cytochrome P450 1A2 detoxicates aristolochic acid in the mouse.
Drug metabolism and disposition: the biological fate of chemicals, Volume: 38, Issue: 5		2010
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (49)

ArticleYear
Study on the difference and correlation between the contents and toxicity of aristolochic acid analogues in Aristolochia plants.
Journal of ethnopharmacology, Oct-28, Volume: 315		2023
Differences in p38-STAT3-S100A11 signaling after the administration of aristolochic acid I and IVa may account for the disparity in their nephrotoxicity.
Phytomedicine : international journal of phytotherapy and phytopharmacology, Volume: 114		2023
Anti-hyperglycemic potential and chemical constituents of Aristolochia triangularis Cham. leaves - A medicinal species native to Brazilian forests.
Journal of ethnopharmacology, Mar-01, Volume: 303		2023
Aristolochic acid IVa forms DNA adducts in vitro but is non-genotoxic in vivo.
Archives of toxicology, Volume: 95, Issue: 8		2021
Ethno medical knowledge and traditional use of Aristolochia bracteolata Lam. for malaria among local communities in Jubek State of South Sudan: A cross-sectional survey.
Journal of ethnopharmacology, Oct-28, Volume: 279		2021
Quantitation of Protein Adducts of Aristolochic Acid I by Liquid Chromatography-Tandem Mass Spectrometry: A Novel Method for Biomonitoring Aristolochic Acid Exposure.
Chemical research in toxicology, 01-18, Volume: 34, Issue: 1		2021
Benchmark dose analysis of multiple genotoxicity endpoints in gpt delta mice exposed to aristolochic acid I.
Mutagenesis, 04-28, Volume: 36, Issue: 1		2021
Defining in vivo dose-response curves for kidney DNA adduct formation of aristolochic acid I in rat, mouse and human by an in vitro and physiologically based kinetic modeling approach.
Journal of applied toxicology : JAT, Volume: 40, Issue: 12		2020
Pig-a gene mutation assay study design: critical assessment of 3- versus 28-day repeat-dose treatment schedules.
Mutagenesis, 09-12, Volume: 35, Issue: 4		2020
Renal chymase-dependent pathway for angiotensin II formation mediated acute kidney injury in a mouse model of aristolochic acid I-induced acute nephropathy.
PloS one, Volume: 14, Issue: 1		2019
Quantitation of DNA Adducts in Target and Nontarget Organs of Aristolochic Acid I-Exposed Rats: Correlating DNA Adduct Levels with Organotropic Activities.
Chemical research in toxicology, 03-18, Volume: 32, Issue: 3		2019
Urinary Time- or Dose-Dependent Metabolic Biomarkers of Aristolochic Acid-Induced Nephrotoxicity in Rats.
Toxicological sciences : an official journal of the Society of Toxicology, 03-01, Volume: 156, Issue: 1		2017
Predicting points of departure for risk assessment based on in vitro cytotoxicity data and physiologically based kinetic (PBK) modeling: The case of kidney toxicity induced by aristolochic acid I.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 92		2016
Discovery of Dual ETA/ETB Receptor Antagonists from Traditional Chinese Herbs through in Silico and in Vitro Screening.
International journal of molecular sciences, Mar-16, Volume: 17, Issue: 3		2016
Comparison of DNA and RNA Adduct Formation: Significantly Higher Levels of RNA than DNA Modifications in the Internal Organs of Aristolochic Acid-Dosed Rats.
Chemical research in toxicology, Feb-16, Volume: 28, Issue: 2		2015
Analysis of potential risk factors for cancer incidence in patients with aristolochic acid nephropathy from Wenzhou, China.
Renal failure, Volume: 37, Issue: 2		2015
An exploratory evaluation of the utility of transcriptional and urinary kidney injury biomarkers for the prediction of aristolochic acid-induced renal injury in male rats.
Veterinary pathology, Volume: 51, Issue: 3		2014
Urinary d-lactate levels reflect renal function in aristolochic acid-induced nephropathy in mice.
Biomedical chromatography : BMC, Volume: 27, Issue: 9		2013
Mutagenicity and DNA adduct formation by aristolochic acid in the spleen of Big Blue® rats.
Environmental and molecular mutagenesis, Volume: 53, Issue: 5		2012
Developmental nephrotoxicity of aristolochic acid in a zebrafish model.
Toxicology and applied pharmacology, May-15, Volume: 261, Issue: 1		2012
Aristolochic acid nephropathy: variation in presentation and prognosis.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, Volume: 27, Issue: 1		2012
Kinetics of aristolochic acid I after oral administration of Radix Aristolochiae or Guanxinsuhe preparation in canines.
Journal of ethnopharmacology, May-17, Volume: 135, Issue: 2		2011
A novel and specific method for the determination of aristolochic acid-derived DNA adducts in exfoliated urothelial cells by using ultra performance liquid chromatography-triple quadrupole mass spectrometry.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jan-15, Volume: 879, Issue: 2		2011
Proteomics investigation on aristolochic acid nephropathy: a case study on rat kidney tissues.
Analytical and bioanalytical chemistry, Volume: 399, Issue: 10		2011
Toxicological risks of Chinese herbs.
Planta medica, Volume: 76, Issue: 17		2010
Aristolochic acid suppresses DNA repair and triggers oxidative DNA damage in human kidney proximal tubular cells.
Oncology reports, Volume: 24, Issue: 1		2010
Liquid chromatography/mass spectrometry for investigating the biochemical effects induced by aristolochic acid in rats: the plasma metabolome.
Rapid communications in mass spectrometry : RCM, May-15, Volume: 24, Issue: 9		2010
Population-based case-control study of Chinese herbal products containing aristolochic acid and urinary tract cancer risk.
Journal of the National Cancer Institute, Feb-03, Volume: 102, Issue: 3		2010
Activation of p53 promotes renal injury in acute aristolochic acid nephropathy.
Journal of the American Society of Nephrology : JASN, Volume: 21, Issue: 1		2010
Determination of aristolochic acid I in rat urine and plasma by high-performance liquid chromatography with fluorescence detection.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Apr-01, Volume: 877, Issue: 10		2009
Quantification of aristolochic acid-derived DNA adducts in rat kidney and liver by using liquid chromatography-electrospray ionization mass spectrometry.
Mutation research, Nov-10, Volume: 646, Issue: 1-2		2008
TGF-beta1/Smad7 signaling stimulates renal tubulointerstitial fibrosis induced by AAI.
Journal of receptor and signal transduction research, Volume: 28, Issue: 4		2008
Liquid chromatography/mass spectrometry for metabonomics investigation of the biochemical effects induced by aristolochic acid in rats: the use of information-dependent acquisition for biomarker identification.
Rapid communications in mass spectrometry : RCM, Volume: 22, Issue: 6		2008
Aristolochic acid induced changes in the metabolic profile of rat urine.
Journal of pharmaceutical and biomedical analysis, Mar-13, Volume: 46, Issue: 4		2008
Aristolochic Acid induces heart failure in zebrafish embryos that is mediated by inflammation.
Toxicological sciences : an official journal of the Society of Toxicology, Volume: 100, Issue: 2		2007
[Nephrotoxicity of Aristolochia manshriensis and Longdan Xiegan decoction].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 32, Issue: 7		2007
[Advances in studies on pharmacokinetics of aristolochic acid I].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 31, Issue: 19		2006
[The nephrotoxicity in rats caused by Longdan Xiegan decoction].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 31, Issue: 10		2006
DNA adduct formation and mutation induction by aristolochic acid in rat kidney and liver.
Mutation research, Dec-01, Volume: 602, Issue: 1-2		2006
NMR-based metabonomic study on the subacute toxicity of aristolochic acid in rats.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 44, Issue: 7		2006
Induction of urothelial proliferation in rats by aristolochic acid through cell cycle progression via activation of cyclin D1/cdk4 and cyclin E/cdk2.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 44, Issue: 1		2006
Tumour induction in rats following exposure to short-term high dose aristolochic acid I.
Mutagenesis, Volume: 20, Issue: 1		2005
[Experimental study on oncogenicity of Aristolochia manshuriensis in rats].
Zhongguo Zhong xi yi jie he za zhi Zhongguo Zhongxiyi jiehe zazhi = Chinese journal of integrated traditional and Western medicine, Volume: 21, Issue: 4		2001
Progression rate of Chinese herb nephropathy: impact of Aristolochia fangchi ingested dose.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, Volume: 17, Issue: 3		2002
Long-term outcome of acute renal injury induced by Aristolochia manshuriensis Kom in rats.
Acta pharmacologica Sinica, Volume: 21, Issue: 12		2000
Cellular mechanisms by which oxytocin stimulates uterine PGF2 alpha synthesis in bovine endometrium: roles of phospholipases C and A2.
Domestic animal endocrinology, Volume: 14, Issue: 3		1997
[Double blind study of the influence of aristolochic acid on granulocyte phagocytic activity].
Arzneimittel-Forschung, Volume: 32, Issue: 4		1982
Effect of butylated hydroxyanisole on the level of DNA adduction by aristolochic acid in the rat forestomach and liver.
Japanese journal of cancer research : Gann, Volume: 81, Issue: 3		1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Natural Sources (1)

ArticleYear
Fatal renal failure due to the Chinese herb "GuanMu Tong" (Aristolochia manshuriensis): autopsy findings and review of literature.
Forensic science international, Jun-15, Volume: 199, Issue: 1-3		2010
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]