Compounds > aucubin
Page last updated: 2024-09-24

aucubin

Cross-References

ID SourceID
PubMed CID91458
CHEMBL ID514882
CHEBI ID69796
SCHEMBL ID381032
MeSH IDM0049296

Synonyms (54)

Synonym
ACON1_002452
nsc-407293
479-98-1
aucubin
C09771
(2s,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
(2s,3r,4s,5s,6r)-2-((1s,4ar,5r,7as)-5-hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
MEGXP0_001729
einecs 207-540-8
nsc 407293
1,4a,5,7a-tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-d-glucopyranoside
(1s-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-d-glucopyranoside
NCGC00169833-01
LMPR0102070006
rhinanthin
smr001397339
MLS002473252
chebi:69796 ,
CHEMBL514882
(2s,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
HMS3098B08
b-d-glucopyranoside, (1s,4ar,5s,7as)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl
A827419
unii-2g52gs8uml
2g52gs8uml ,
AKOS015896774
S5459
(1s,4ar,5s,7as)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-.beta.-d-glucopyranoside
aucuboside
aucubin [mi]
HY-N0664
CS-5367
SCHEMBL381032
AC-33938
Q-100516
RJWJHRPNHPHBRN-FKVJWERZSA-N
.beta.-d-glucopyranoside, (1s,4ar,5s,7as)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl
(2s,3r,4s,5s,6r)-2-(((1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol
mfcd00136026
rhimantin
aucubin, primary pharmaceutical reference standard
aucubin, analytical standard
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
AS-74899
NCGC00169833-02
(2s,3r,4s,5s,6r)-2-((1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yloxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol
Q418014
aucubuside
DTXSID60963965
CCG-267985
(1s,4ar,5s,7as)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl beta-d-glucopyranoside
aucubin (constituent of chaste tree)
(1s,4ar,5s,7as)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-d-glucopyranoside
aucubine

Research Excerpts

Overview

ExcerptReference
"Aucubin is an iridoid glycoside that is widely distributed in green plants and exhibits various biological activities such as antioxidant, anti-inflammatory, and protecting the liver. "( Leng, X; Li, X; Tan, H; Xu, X; Xu, Z; Yang, H, 2022)
"Aucubin is an iridoid glycoside widely spread in the families "( Irawan, MA; Jayani, NIE; Kartini, K; Setiawan, F, 2023)
"Aucubin is an iridoid glycoside that is widely prevalent in traditional medicinal herbs, such as Eucommia ulmoides Oliv., Aucuba japonica Thunb. "( Guo, F; Ouyang, D; Zeng, X, 2020)
"Aucubin (AU) is an iridoid glycoside and that is one of the active constituents of Eucommia ulmoides, has many pharmacological effects such as anti-inflammation, anti-liver fibrosis, and anti-atherosclerosis."( Cao, YJ; Hao, JC; He, XZ; Jing, HL; Li, Y; Li, YC; Shang, B; Tian, QQ; Wang, LJ; Wang, ZL; Yang, KL; Zhao, C, 2021)
"Aucubin (AU) is an iridoid glycoside that has been shown to display estrogenic properties and has various pharmacological effects. "( Chen, L; Coffie, JW; Fang, Z; Gao, X; Geng, X; Li, C; Qiu, L; Song, M; Wang, H; Yang, Y; You, X; Zhang, L, 2017)
"Aucubin is a natural constituent with a monoterpene cyclic ring system."( Duan, JX; Guan, CX; Guan, XX; Li, P; Liu, T; Liu, YP; Mei, WX; Ouyang, DS; Sun, GY; Wan, L; Zhong, WJ; Zhou, Y, 2017)
"Aucubin (ACB) is an iridoid glycoside with various biological activities. "( Han, M; Kim Kwon, Y; Song, M, 2018)
"Aucubin (AUC) is a major bioactive ingredient in Eucommia ulmoides, Plantain asiatica, and Aucuba japonica, and has been shown to exert anti-inflammatory, antioxidative, and neuroprotective effects. "( Chen, X; Cui, C; Jia, XB; Shen, YQ; Sun, MF; Xu, YD; Xu, ZH; Yang, XS; Zhang, PH; Zhou, ZL; Zhu, YL, 2018)
"Aucubin (AU) is an iridoid glycoside derived from Eucommia ulmoides that possesses anti-inflammatory and neuroprotective effects."( Chen, L; Chen, S; Hu, K; Huang, Q; Huang, X; Li, C; Ouyang, DS; Wang, X; Zeng, G; Zeng, X; Zhou, L; Zong, W, 2019)
"Aucubin is an active component extracted from Eucommia ulmoides, which has liver-protection effects."( Feng, H; Hu, K; Huang, WH; Li, XH; Lv, PY; Ouyang, DS; Qin, YH; Tian, YY; Wang, YQ; Zhou, HH, 2017)

Effects

ExcerptReference
"Aucubin (AU) has been proven to exhibit highly effective anti-inflammatory activity, but its ability to protect against endometritis in dairy cows remains unclear."( Cao, R; Feng, Y; Fu, K; Gao, F; Li, H; Tian, W, 2021)

Actions

ExcerptReference
"Aucubin can enhance the anti-catabolic and anti-inflammatory effects of HA on OA chondrocytes."( Chen, YR; Huang, TL; Liao, JY; Tang, Y; Yang, KC; Yang, SH, 2019)

Treatment

ExcerptReference
"Aucubin treatment significantly reverses IL-1β-induced cytotoxicity and attenuated the IL-1β-induced chondrocyte apoptosis."( Chen, PS; Jiang, Y; Wang, BW; Wang, SN; Yao, ZL; Yu, B, 2019)
"Treatment with aucubin by both routes of administration ameliorated histopathological changes and reduced elevated serum markers of kidney injury."( Batičić, L; Broznić, D; Domitrović, R; Marinić, J; Potočnjak, I; Šimić, L, 2020)
"Pretreatment with aucubin significantly inhibited the production of MMP-1 by 57% when compared to the UVB-irradiated cells."( Cho, HY; Ho, JN; Hong, BS; Jun, WJ; Kim, HK; Lee, YH; Park, JS; Shin, DH, 2005)
"Treatment of aucubin (1) with tert-butyldimethylsilyl chloride under alkaline conditions permitted regioselective silylation of either the primary hydroxyl groups at C-9 and C-6' or both primary hydroxyl groups and the secondary allylic hydroxyl group at C-6. "( Deguin, B; Koch, M; Laschiazza, R; Lecsö-Bornet, M; Rakotondramasy, VC; Tillequin, F, 2007)

Roles (1)

RoleDescription
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 (1)

ClassDescription
organic molecular entityAny molecular entity that contains carbon.
[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 (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency0.06310.075215.225339.8107AID485360
gemininHomo sapiens (human)Potency0.18360.004611.374133.4983AID624297
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (37)

Assay IDTitleYearJournalArticle
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.
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
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745854NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings 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.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
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.
AID334194Inhibition of classical complement pathway activation at 4 uM assessed as complement modulation test2003Journal of natural products, Jan, Volume: 66, Issue:1
Complement-inhibiting iridoids from Morinda morindoides.
AID1301498Cytotoxicity against human HT-29 cells by MTT assay2016Journal of natural products, Feb-26, Volume: 79, Issue:2
Bioactive Iridoid Glycosides from the Whole Plants of Rehmannia chingii.
AID1251038Inhibition of COX1 (unknown origin) assessed as PGH2 production at 100 uM by measuring PGH2alpha level by enzyme immunoassay2015Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20
In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.
AID1301499Cytotoxicity against human Bel7402 cells by MTT assay2016Journal of natural products, Feb-26, Volume: 79, Issue:2
Bioactive Iridoid Glycosides from the Whole Plants of Rehmannia chingii.
AID1301497Cytotoxicity against human A549 cells by MTT assay2016Journal of natural products, Feb-26, Volume: 79, Issue:2
Bioactive Iridoid Glycosides from the Whole Plants of Rehmannia chingii.
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.
AID1251039Inhibition of COX2 (unknown origin) assessed as PGH2 production at 10 uM by measuring PGH2alpha level by enzyme immunoassay2015Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20
In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.
AID642415Estrogenic activity at ERalpha in human MVLN cells at 20 ug/mL after 24 hrs by luciferase reporter gene assay relative to E22012Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1
Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.
AID1251037Inhibition of COX1 (unknown origin) assessed as PGH2 production at 35 uM by measuring PGH2alpha level by enzyme immunoassay2015Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20
In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.
AID467894Antiviral activity against HCV expressing E1E2 glycoprotein with Vpr-deficient HIV vector assessed as inhibition of viral entry in human Huh7 cells at 20 ug/ml measured after 72 hrs by luciferase reporter gene assay2009Journal of natural products, Dec, Volume: 72, Issue:12
Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.
AID1251040Inhibition of COX2 (unknown origin) assessed as PGH2 production at 35 uM by measuring PGH2alpha level by enzyme immunoassay2015Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20
In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.
AID1301501Cytotoxicity against human A2780 cells by MTT assay2016Journal of natural products, Feb-26, Volume: 79, Issue:2
Bioactive Iridoid Glycosides from the Whole Plants of Rehmannia chingii.
AID642414Estrogenic activity at ERalpha in human MVLN cells at 100 ug/mL after 24 hrs by luciferase reporter gene assay relative to E22012Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1
Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.
AID1301500Cytotoxicity against human BGC823 cells by MTT assay2016Journal of natural products, Feb-26, Volume: 79, Issue:2
Bioactive Iridoid Glycosides from the Whole Plants of Rehmannia chingii.
AID1251041Inhibition of COX2 (unknown origin) assessed as PGH2 production at 100 uM by measuring PGH2alpha level by enzyme immunoassay2015Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20
In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.
AID334195Inhibition of classical complement pathway activation at 4 uM in presence of beta glucosidase by complement modulation test2003Journal of natural products, Jan, Volume: 66, Issue:1
Complement-inhibiting iridoids from Morinda morindoides.
AID1251036Inhibition of COX1 (unknown origin) assessed as PGH2 production at 10 uM by measuring PGH2alpha level by enzyme immunoassay2015Bioorganic & medicinal chemistry letters, Oct-15, Volume: 25, Issue:20
In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (155)

TimeframeStudies, This Drug (%)All Drugs %
pre-19909 (5.81)18.7374
1990's6 (3.87)18.2507
2000's36 (23.23)29.6817
2010's68 (43.87)24.3611
2020's36 (23.23)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 (%)
Trials0 (0.00%)5.53%
Reviews4 (2.50%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other156 (97.50%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
geniposide[no description available]medium90terpene glycoside
genipin[no description available]medium20iridoid monoterpenoidanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cross-linking reagent;
hepatotoxic agent;
uncoupling protein inhibitor
geniposidic acid[no description available]medium70terpene glycoside
cornin iridoid[no description available]medium20terpene glycoside
loganin[no description available]medium50beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol		anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite
loganic acid[no description available]medium50alpha,beta-unsaturated monocarboxylic acid;
cyclopentapyran;
glucoside		plant metabolite
agnuside[no description available]medium20benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside		anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent
harpagoside[no description available]medium30terpene glycoside
Shanzhiside methyl ester[no description available]medium10glycoside;
iridoid monoterpenoid
lamalbid[no description available]medium10
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
benzaldehyde[no description available]medium10benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
gallic acid[no description available]medium10trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
anisole[no description available]medium10monomethoxybenzeneplant metabolite
vanillic acid[no description available]medium10methoxybenzoic acid;
monohydroxybenzoic acid		plant metabolite
Berberine chloride (TN)[no description available]medium20organic molecular entity
4-anisaldehyde[no description available]medium10benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
baicalin[no description available]medium30dihydroxyflavone;
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
tetrahydropalmatine[no description available]medium10an (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound		adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
alantolactone[no description available]medium10naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
isoalantolactone[no description available]medium10eudesmane sesquiterpenoid;
sesquiterpene lactone		antifungal agent;
apoptosis inducer;
plant metabolite
catalpol[no description available]high50organic molecular entitymetabolite
scutellarin[no description available]medium20glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor
jatrorrhizine chloride[no description available]medium10
e-z cinnamic acid[no description available]medium10cinnamic acidplant metabolite
ferulic acid[no description available]medium20ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
cinnamaldehyde[no description available]medium103-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
trans-4-coumaric acid[no description available]medium104-coumaric acidfood component;
mouse metabolite;
plant metabolite
caffeic acid[no description available]medium20caffeic acidgeroprotector;
mouse metabolite
isoferulic acid[no description available]medium20ferulic acidsantioxidant;
biomarker;
metabolite
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
linoleic acid[no description available]medium10octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
rutin[no description available]medium40disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
kaempferol[no description available]medium207-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
costunolide[no description available]medium10germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite
baicalein[no description available]medium40trihydroxyflavoneangiogenesis 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
wogonin[no description available]medium20dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
narcissin flavonol[no description available]medium10disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
trihydroxyflavone
columbianadin[no description available]medium10alpha,beta-unsaturated carboxylic ester;
furanocoumarin		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
alpha-cyperone[no description available]medium10
peoniflorin[no description available]medium10
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]medium10acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
epibatidine[no description available]medium10alkaloid
aristolochic acid i[no description available]medium10aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
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]medium10indole 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
emodin[no description available]medium10trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
gossypol[no description available]medium10
hypericin[no description available]medium10
indole-3-carbinol[no description available]medium10indolyl alcoholantineoplastic agent;
plant metabolite
nsc 664704[no description available]medium10indolobenzazepine;
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]medium10furanochromone;
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]medium10benzochromenone;
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]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
myristicin[no description available]high10organic 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]medium10mitomycinalkylating 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]medium10hydrochloride
cantharidin[no description available]medium10cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
physostigmine[no description available]medium10carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
veratramine[no description available]medium10piperidine alkaloid
phlorhizin[no description available]medium10aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite
papaverine hydrochloride[no description available]medium10
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
yohimbine hydrochloride[no description available]medium10
cycloheximide[no description available]medium20antibiotic 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]medium20antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
veratridine[no description available]medium10steroidsodium channel modulator
gibberellic acid[no description available]medium10C19-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]medium10organic 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]medium20aminoalkylindole;
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]medium10piperidines
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]medium20bisbenzylisoquinoline alkaloid;
isoquinolines
aloe emodin[no description available]medium20aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
osthol[no description available]medium20botanical 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]medium10benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
kainic acid[no description available]medium10dicarboxylic 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]medium40hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
podophyllotoxin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
azomycin[no description available]medium10C-nitro compound;
imidazoles		antitubercular agent
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
camptothecin[no description available]medium20delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
tetradecanoylphorbol acetate[no description available]medium10acetate 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
paclitaxel[no description available]medium30taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
phorbol 12,13-dibutyrate[no description available]medium10butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
quisqualic acid[no description available]medium10non-proteinogenic alpha-amino acid
colforsin[no description available]medium10acetate 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]medium20flavans;
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]medium20epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
rutecarpine[no description available]medium10beta-carbolines
bergenin[no description available]medium20trihydroxybenzoic 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]medium10alkaloid
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]medium10biphenyls
honokiol[no description available]medium20biphenyls
chelerythrine chloride[no description available]medium10
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
tetrandrine[no description available]medium20bisbenzylisoquinoline alkaloid;
isoquinolines
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]medium103-(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]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
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
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]medium207-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]medium10monocarboxylic 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]medium20monocarboxylic 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]medium20leucine derivative
e 64[no description available]medium20dicarboxylic 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]medium20abietane diterpenoid
leucodin[no description available]medium10sesquiterpene lactone
limonin[no description available]medium20epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
maduramicin[no description available]medium10
chelidonine[no description available]medium20alkaloid 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]medium103beta-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]medium10acetate 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]medium1014beta-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]medium10puromycinsantiinfective 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]medium10taxifolinmetabolite
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
arbutin[no description available]medium30beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
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]medium20steroid 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]medium10isochromanes;
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]medium10retinoic 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
thapsigargin[no description available]medium10butyrate 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]medium204-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]medium10actinomycinmutagen
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]medium20hydroxy-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
cotinine[no description available]medium10N-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]medium30cinnamate 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]medium20beta-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
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
dinoprost[no description available]medium10monocarboxylic 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]medium10prostaglandins 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]medium203'-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]medium10prostaglandins 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
senecionine[no description available]medium10lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
genistein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
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
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]medium207-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
coumestrol[no description available]medium10coumestans;
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]medium10alkyl 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]medium10aromatic 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]medium10aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
ellagic acid[no description available]medium10catechols;
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
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]medium10antibiotic 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]medium10cytochalasin;
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
sinomenine[no description available]medium10morphinane alkaloid
ecdysterone[no description available]medium1014alpha-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]medium20nonaprenol;
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]medium20artemisinin 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]medium20abietane diterpenoidanticoronaviral agent
calcimycin[no description available]medium10benzoxazole
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]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
citrinin[no description available]medium10
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
indomethacin[no description available]medium20aromatic 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
6-o-veratroyl catalpol[no description available]medium10
catalposide[no description available]medium10
curcumin[no description available]medium20aromatic 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
bicyclol[no description available]medium20
6-O-feruloylcatalpol[no description available]medium10hydroxycinnamic acidmetabolite
aminolevulinic acid[no description available]medium104-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
salicylic acid[no description available]medium20monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
thioctic acid[no description available]medium10dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector
picolinic acid[no description available]medium10pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
3-aminobenzamide[no description available]medium10benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pleconaril[no description available]medium10
4-(2-aminoethyl)benzenesulfonylfluoride[no description available]medium10
phenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
alprenolol[no description available]medium10secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
2-aminothiazole[no description available]medium101,3-thiazoles;
primary amino compound
amodiaquine[no description available]medium10aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
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
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
benzamide[no description available]medium10benzamides
camostat[no description available]medium10benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
camphor, (+-)-isomer[no description available]medium10bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite
candesartan[no description available]medium10benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
cetylpyridinium[no description available]medium10pyridinium ion
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
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
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
danthron[no description available]medium10dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
deferiprone[no description available]medium104-pyridonesiron chelator;
protective agent
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
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
doxazosin[no description available]medium10aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
ebselen[no description available]medium10benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
2-hexyloxybenzamide[no description available]medium10aromatic ether;
benzamides		antifungal agent
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorouracil[no description available]medium10nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
gabexate[no description available]medium10benzoate ester
glutaral[no description available]medium20dialdehydecross-linking reagent;
disinfectant;
fixative
fasudil[no description available]medium10isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
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
hexylresorcinol[no description available]medium10resorcinols
beta-thujaplicin[no description available]medium10cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
hycanthone[no description available]medium10thioxanthenesmutagen;
schistosomicide drug
hydrochlorothiazide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium10one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
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
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
itraconazole[no description available]medium10piperazines
kojic acid[no description available]medium104-pyranones;
enol;
primary alcohol		Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
lapachol[no description available]medium10
loperamide[no description available]medium10monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]medium10benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
mafenide[no description available]medium10aromatic amine
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
entinostat[no description available]medium10benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
ethylmaleimide[no description available]medium10maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nafamostat[no description available]medium10benzoic acids;
guanidines
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
osalmide[no description available]medium10organic molecular entity
oxethazaine[no description available]medium10amino acid amide
palmidrol[no description available]medium10endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
papaverine[no description available]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pentoxifylline[no description available]medium10oxopurine
perhexiline[no description available]medium10piperidinescardiovascular drug
phenazopyridine[no description available]medium10diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
phenylmethylsulfonyl fluoride[no description available]medium10acyl fluorideserine proteinase inhibitor
pimobendan[no description available]medium10benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
pj-34[no description available]medium10phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent
praziquantel[no description available]medium10isoquinolines
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
rimantadine[no description available]medium10alkylamine
rolipram[no description available]medium10pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
scriptaid[no description available]medium10isoquinolines
sebacic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite
fenofibrate[no description available]medium10benzochromenone;
delta-lactone;
naphtho-alpha-pyrone		platelet aggregation inhibitor;
Sir2 inhibitor
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
suprofen[no description available]medium10aromatic 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
thalidomide[no description available]medium10phthalimides;
piperidones
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
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
triflupromazine[no description available]medium10organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trigonelline[no description available]medium10alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
tyrphostin a9[no description available]medium10alkylbenzenegeroprotector
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
vesnarinone[no description available]medium10organic molecular entity
idoxuridine[no description available]medium10organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
lysine[no description available]medium10aspartate 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
phenylethyl alcohol[no description available]medium10benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
zoxazolamine[no description available]medium10benzoxazole
ficusin[no description available]medium10psoralensplant metabolite
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
9,10-anthraquinone[no description available]medium10anthraquinone
salicylanilide[no description available]medium10benzanilide fungicide;
salicylamides;
salicylanilides
aminacrine[no description available]medium10aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen
methyl gallate[no description available]medium10gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
monobenzone[no description available]medium10benzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor
ditiocarb[no description available]medium10dithiocarbamic acidschelator;
copper chelator
catechin[no description available]medium10catechinantioxidant;
plant metabolite
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
lucanthone[no description available]medium10thioxanthenesadjuvant;
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
chrysophanic acid[no description available]medium10dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
emetine[no description available]medium10isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
flavanone[no description available]medium10flavanones
phloretic acid[no description available]medium10hydroxy monocarboxylic acidplant metabolite
angelicin[no description available]medium10furanocoumarin
diperodon[no description available]medium10carbamate ester
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
hydroxychloroquine sulfate[no description available]medium10
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
metformin hydrochloride[no description available]medium10hydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic
antimycin a[no description available]medium10benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
5,5'-dimethyl-2,2'-bipyridyl[no description available]medium10bipyridines
dichlorobenzyl alcohol[no description available]medium10benzyl alcohols;
dichlorobenzene		antiseptic drug
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
dideoxyadenosine[no description available]medium10adenosines;
purine 2',3'-dideoxyribonucleoside		EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor
vidarabine[no description available]medium10beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
3-deazaadenosine[no description available]medium10
zalcitabine[no description available]medium10pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
ancitabine[no description available]medium10diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
chloropyramine[no description available]medium10aminopyridine
levamisole[no description available]medium106-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
n'-nitrosonornicotine[no description available]medium10pyridines;
pyrrolidines
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
ribavirin[no description available]medium101-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
pyridoxal phosphate[no description available]medium10pyridinecarbaldehyde
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
captopril[no description available]medium10alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
oltipraz[no description available]medium101,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug
fiacitabine[no description available]medium10
ranolazine[no description available]medium10aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
brequinar[no description available]medium10biphenyls;
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
imiquimod[no description available]medium10imidazoquinolineantineoplastic agent;
interferon inducer
adefovir[no description available]medium106-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
cidofovir anhydrous[no description available]medium10phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
celgosivir[no description available]medium10
gemcitabine[no description available]medium10organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
lamivudine[no description available]medium10monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
zanamivir[no description available]medium10guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
adefovir dipivoxil[no description available]medium106-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
octyl gallate[no description available]medium10gallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
arctigenin[no description available]medium10lignan
plerixafor[no description available]medium10azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
oseltamivir[no description available]medium10acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose[no description available]medium10gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
cephalotaxine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound
desipramine hydrochloride[no description available]medium10hydrochloridedrug allergen
mefloquine hydrochloride[no description available]medium10hydrochloride
propazole[no description available]medium10benzimidazoles
prulifloxacin[no description available]medium10fluoroquinolone antibiotic;
quinolone antibiotic
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
artemisinin[no description available]medium10organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite
brinzolamide[no description available]medium10sulfonamide;
thienothiazine		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
oxprenolol hydrochloride[no description available]medium10
opipramol hydrochloride[no description available]medium10
moroxydine[no description available]medium10biguanides
thioxolone[no description available]medium10benzoxathioleantiseborrheic
nobiletin[no description available]medium10methoxyflavoneantineoplastic agent;
plant metabolite
lycorine[no description available]medium10indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
leupeptin[no description available]medium10aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
calpeptin[no description available]medium10amino acid amide
fangchinoline[no description available]medium10aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
maslinic acid[no description available]medium30dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
moexipril[no description available]medium10peptide
lekoptin[no description available]medium102-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
n-methyladenosine[no description available]medium10methyladenosine
sivelestat[no description available]medium10N-acylglycine;
pivalate ester
pyronaridine[no description available]medium10aminoquinoline
sophocarpine[no description available]medium10
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
elacridar[no description available]medium10
vadimezan[no description available]medium10monocarboxylic acid;
xanthones		antineoplastic agent
umifenovir[no description available]medium10indolyl carboxylic acid
safinamide[no description available]medium10amino acid amide
ilomastat[no description available]medium10hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
atazanavir[no description available]medium10carbohydrazideantiviral drug;
HIV protease inhibitor
vx 497[no description available]medium10
bcx 1812[no description available]medium103-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
olmesartan[no description available]medium10biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
celastrol methyl ester[no description available]medium10carboxylic ester
resiquimod[no description available]medium10imidazoquinoline
anacardic acid[no description available]medium10hydroxy monocarboxylic acid;
hydroxybenzoic acid		anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
migalastat[no description available]medium10piperidines
erlotinib[no description available]medium10aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
4-n-butylresorcinol[no description available]medium10resorcinols
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
dapivirine[no description available]medium10
nsc 74859[no description available]medium10amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester		STAT3 inhibitor
berbamine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
u-104[no description available]medium10
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one[no description available]medium10glycoside
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
tizoxanide[no description available]medium10salicylamides
saquinavir[no description available]medium10L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
cephaelin[no description available]medium10pyridoisoquinoline
(-)-usnic acid[no description available]medium10usnic acidEC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
acetylleucyl-leucyl-norleucinal[no description available]medium10aldehyde;
tripeptide		cysteine protease inhibitor
tacrolimus[no description available]medium10macrolide lactambacterial metabolite;
immunosuppressive agent
lycopene[no description available]medium10acyclic caroteneantioxidant;
plant metabolite
zithromax[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
roflumilast[no description available]medium10aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor
h 89[no description available]medium10N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
bevirimat[no description available]medium10dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
benzyloxycarbonylleucyl-leucyl-leucine aldehyde[no description available]medium10amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
gw 257406x[no description available]medium10
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide[no description available]medium10tropane alkaloid
cmx 001[no description available]medium10
amd 8664[no description available]medium10
bay 41-4109[no description available]medium10
bay 57-1293[no description available]medium10
2'-c-methylcytidine[no description available]medium10
isoxanthohumol[no description available]medium10flavanones
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide[no description available]medium10aromatic ether
mecarbinate[no description available]medium10
acetyl-aspartyl-glutamyl-valyl-aspartal[no description available]medium10tetrapeptideprotease inhibitor
octotropine methylbromide[no description available]medium10
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
jrf 12[no description available]medium10
3,4'-dihydroxyflavone[no description available]medium10
3-(3,4-dimethoxyphenyl)propenoic acid[no description available]medium10methoxycinnamic acid
cyclouridine[no description available]medium10
zucapsaicin[no description available]medium10methoxybenzenes;
phenols
nbd 556[no description available]medium10
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
4,5,6,7-tetrachloroindan-1,3-dione[no description available]medium10
srpin340[no description available]medium10
pr-619[no description available]medium10
p5091[no description available]medium10
trovirdine[no description available]medium10
fti 277[no description available]medium10
u 0126[no description available]medium10aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
vicriviroc[no description available]medium10(trifluoromethyl)benzenes
telaprevir[no description available]medium10cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
dasatinib[no description available]medium101,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
yya-021[no description available]medium10
sb 415286[no description available]medium10C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tak-220[no description available]medium10
jtk-303[no description available]medium10aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor
nbd 557[no description available]medium10
5'-o-caffeoylquinic acid[no description available]medium10cinnamate ester;
cyclitol carboxylic acid		plant metabolite
luteolin-7-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite
cyclosporine[no description available]medium10
harmine[no description available]medium10harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
mycophenolate mofetil[no description available]medium10carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium102-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
amentoflavone[no description available]medium10biflavonoid;
hydroxyflavone;
ring assembly		angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
genkwanin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		metabolite
hyperoside[no description available]medium20beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		hepatoprotective agent;
plant metabolite
mangostin[no description available]medium10aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
kaempferide[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite
orientin[no description available]medium103'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite
scutellarein[no description available]medium10tetrahydroxyflavonemetabolite
trans-2,3',4,5'-tetrahydroxystilbene[no description available]medium10stilbenoid
polydatin[no description available]medium10beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
chicoric acid[no description available]medium10organooxygen compoundgeroprotector;
HIV-1 integrase inhibitor
acteoside[no description available]medium120catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol		anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
dorzolamide[no description available]medium10sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
benzyloxycarbonyl-phe-ala-fluormethylketone[no description available]medium10
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester[no description available]medium10carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester		EC 3.4.23.46 (memapsin 2) inhibitor
casticin[no description available]medium10dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one[no description available]medium10dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside[no description available]medium10beta-D-glucoside;
resorcinols;
stilbenoid		anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor
tyrphostin ag 555[no description available]medium10
pd 151746[no description available]medium10
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
verteporfin[no description available]medium10
batimastat[no description available]medium10hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
pepstatin[no description available]medium10pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
l 685458[no description available]medium10carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic
bms 806[no description available]medium10
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone[no description available]medium10
tulobuterol hydrochloride[no description available]medium10organic molecular entity
salubrinal[no description available]medium10aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas
germacrone[no description available]medium10germacrane sesquiterpenoid;
olefinic compound		androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid[no description available]medium10
lithospermic acid[no description available]medium10
laq824[no description available]medium10
ekb 569[no description available]medium10aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor
rilpivirine[no description available]medium10aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one[no description available]medium10germacranolide
4,5-di-O-caffeoylquinic acid[no description available]medium10quinic acid
indigo carmine[no description available]medium10
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone[no description available]medium10oligopeptide
vildagliptin[no description available]medium10amino acid amide
belinostat[no description available]medium10hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
hdac-42[no description available]medium10amidobenzoic acid
chlorhexidine[no description available]medium10biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent
gs-7340[no description available]medium106-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester		antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
iniparib[no description available]medium10carbonyl compound;
organohalogen compound
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide[no description available]medium10
pri-2205[no description available]medium10
mk 0752[no description available]medium10
givinostat[no description available]medium10carbamate ester
pd 144418[no description available]medium10
midostaurin[no description available]medium10benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
ly 450139[no description available]medium10peptide
mocetinostat[no description available]medium20aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
rivaroxaban[no description available]medium10aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
sb 3ct compound[no description available]medium10aromatic ether
ginsenoside rb1[no description available]medium10ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
rucaparib[no description available]medium10azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-[no description available]medium10organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
cetilistat[no description available]medium10benzoxazine
ym 201636[no description available]medium10aromatic amide
linagliptin[no description available]medium10aminopiperidine;
quinazolines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
azd 6244[no description available]medium10benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
odanacatib[no description available]medium10
apilimod[no description available]medium10
apixaban[no description available]medium10aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
betrixaban[no description available]medium10benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
edoxaban[no description available]medium10chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor
saracatinib[no description available]medium10aromatic 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
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide[no description available]medium10tripeptide;
ureas		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
ly 411575[no description available]medium10dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor
galidesivir[no description available]medium10
PB28[no description available]medium10aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
degrasyn[no description available]medium10
epoxomicin[no description available]medium10morpholines;
tripeptide		proteasome inhibitor
bms 477118[no description available]medium10adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
pha 680632[no description available]medium10
tmc 353121[no description available]medium10
amd 070[no description available]medium10aminoquinoline
danoprevir[no description available]medium10
bms-626529[no description available]medium10
bms-663068[no description available]medium10
amenamevir[no description available]medium10
vx 765[no description available]medium10dipeptide
alogliptin[no description available]medium10nitrile;
piperidines;
primary amino compound;
pyrimidines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
fr 180204[no description available]medium10pyrazoles;
ring assembly
quisinostat[no description available]medium10indoles
carfilzomib[no description available]medium10epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
hcv 796[no description available]medium10
resminostat[no description available]medium10
zk 756326[no description available]medium10aromatic ether
balapiravir[no description available]medium10
trametinib[no description available]medium10acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
deoxyarbutin[no description available]medium10
abexinostat[no description available]medium10benzofurans
silvestrol[no description available]medium10dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
narlaprevir[no description available]medium10azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas		anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor
teneligliptin[no description available]medium10amino acid amide
dextrothyroxine[no description available]medium10
veliparib[no description available]medium10benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pf 03491390[no description available]medium10
alloin[no description available]medium10anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
mdv 3100[no description available]medium10(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
bms-650032[no description available]medium10oligopeptide
rg 7128[no description available]medium10
oritavancin[no description available]medium10disaccharide derivative;
glycopeptide;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
pevonedistat[no description available]medium10cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer
uk 453,061[no description available]medium10aromatic ether
N-(2-aminophenyl)-2-pyrazinecarboxamide[no description available]medium10aromatic amide
tegobuvir[no description available]medium10
pf-429242[no description available]medium10
olaparib[no description available]medium10cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cx 4945[no description available]medium10
pci 34051[no description available]medium10indolecarboxamide
lomibuvir[no description available]medium10thiophenecarboxylic acid
delanzomib[no description available]medium10C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
pitavastatin(1-)[no description available]medium10hydroxy monocarboxylic acid anion
GRL-0617[no description available]medium10benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline		anticoronaviral agent;
protease inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester[no description available]medium10carbamate ester
niraparib[no description available]medium102-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
jzl 184[no description available]medium10benzodioxoles
gsk 650394[no description available]medium10phenylpyridine
oprozomib[no description available]medium10
az 960[no description available]medium10
golgicide a[no description available]medium10diastereoisomeric mixturecis-Golgi ArfGEF GBF inhibitor
cobicistat[no description available]medium101,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas		P450 inhibitor
bms-790052[no description available]medium10biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative		antiviral drug;
nonstructural protein 5A inhibitor
ixazomib[no description available]medium10benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
ucph 101[no description available]medium10
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium10aryl sulfide;
thienopyrimidine
baricitinib[no description available]medium10azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
KOM70144[no description available]medium10acetamides;
benzamides;
naphthalenes;
secondary carboxamide		anticoronaviral agent;
protease inhibitor
e-52862[no description available]medium10
ly2811376[no description available]medium10
anagliptin[no description available]medium10amino acid amide
gardiquimod[no description available]medium10
grazoprevir[no description available]medium10aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent
abt-450[no description available]medium10
letermovir[no description available]medium10
sofosbuvir[no description available]medium10isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester		antiviral drug;
hepatitis C protease inhibitor;
prodrug
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine[no description available]medium10benzoxazole
blz 945[no description available]medium10
azd3839[no description available]medium10
pf 3084014[no description available]medium10
unc 0638[no description available]medium10quinazolines
gs-9620[no description available]medium10
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide[no description available]medium10
bms 708163[no description available]medium10oxadiazole;
ring assembly
jq1 compound[no description available]medium10carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone[no description available]medium10
gsk525762a[no description available]medium10benzodiazepine
ML240[no description available]medium10aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
birinapant[no description available]medium10dipeptide
ly2886721[no description available]medium10
nms-p118[no description available]medium10
tubastatin a[no description available]medium10hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostat[no description available]medium10benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
spautin-1[no description available]medium10
ldn 57444[no description available]medium10
gsk1210151a[no description available]medium10imidazoquinoline
i-bet726[no description available]medium10
acy-1215[no description available]medium10pyrimidinecarboxylic acid
cudc-907[no description available]medium10
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
tipranavir[no description available]medium10sulfonamideantiviral drug;
HIV protease inhibitor
tasquinimod[no description available]medium10
gsk1265744[no description available]medium10difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide		HIV-1 integrase inhibitor
abt-267[no description available]medium10aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor
abt-333[no description available]medium10aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor
rgfp966[no description available]medium10
rg2833[no description available]medium10
pi-1840[no description available]medium10
acy-738[no description available]medium10
pelabresib[no description available]medium10monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor
gs-5806[no description available]medium10
doravirine[no description available]medium10
gn6958[no description available]medium10
vx-787[no description available]medium10
ledipasvir[no description available]medium10azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound		antiviral drug;
hepatitis C protease inhibitor
gs-5816[no description available]medium10carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor
g007-lk[no description available]medium10
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide[no description available]medium10
selinexor[no description available]medium10
verdinexor[no description available]medium10
cb-839[no description available]medium10
mk-8742[no description available]medium10carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent
atglistatin[no description available]medium10
xen445[no description available]medium10
santacruzamate a[no description available]medium10organonitrogen compound;
organooxygen compound
ldc4297[no description available]medium10aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
enasidenib[no description available]medium101,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
s 8932[no description available]medium10aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
nu 1025[no description available]medium10phenols;
quinazolines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
didanosine[no description available]medium10purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
valacyclovir[no description available]medium10L-valyl esterantiviral drug
penciclovir[no description available]medium102-aminopurines;
propane-1,3-diols		antiviral drug
4-hydroxyquinazoline[no description available]medium10quinazolines
tegaserod[no description available]medium10carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
norclozapine[no description available]medium10dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
pemetrexed[no description available]medium10N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
azilsartan[no description available]medium101,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent
hesperadin[no description available]medium10
6-bromoindirubin-3'-acetoxime[no description available]medium10
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide[no description available]medium10catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor
XL413[no description available]medium10benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
me0328[no description available]medium10
nvp-tnks656[no description available]medium10
citric acid, anhydrous[no description available]medium10tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
iridoids[no description available]medium620
n-nitrosoallyl-2,3-dihydroxypropylamine[no description available]medium10
glycosides[no description available]medium160
glucose, (beta-d)-isomer[no description available]medium590D-glucopyranoseepitope;
mouse 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
transforming growth factor beta[no description available]medium10
triptolide[no description available]medium10diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite
phenanthrenes[no description available]medium10
methylnitrosourea[no description available]medium10N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
catalpol[no description available]medium200
phytoestrogens[no description available]medium10
malondialdehyde[no description available]medium40dialdehydebiomarker
phenylephrine[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
titanium[no description available]medium10titanium group element atom
ng-nitroarginine methyl ester[no description available]medium10alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor
lignans[no description available]medium20
astragalin[no description available]medium10beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		plant metabolite;
trypanocidal drug
pinoresinol diglucoside[no description available]medium10
echinacoside[no description available]medium20oligosaccharide
lithium[no description available]medium10alkali metal atom
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
trimethylsilyldiazomethane[no description available]medium10
diazomethane[no description available]medium10diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
picroside i[no description available]medium10
picroside ii[no description available]medium10
imatinib mesylate[no description available]medium10methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
harpagide[no description available]medium40
aucubigenin[no description available]medium50
nepitrin[no description available]medium10flavonoids;
glycoside
cytellin[no description available]medium20
cyclopentenone[no description available]medium10alicyclic ketone;
enone		Hsp70 inducer
cyclopentane[no description available]medium10cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
chlorophyll a[no description available]medium10chlorophyll;
methyl ester		cofactor
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
methanol[no description available]medium10alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
4-nitrophenyl beta-d-glucoside[no description available]medium10beta-D-glucoside;
C-nitro compound		chromogenic compound
cellulase[no description available]medium10cellotriose
histamine[no description available]medium10aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
asperuloside[no description available]medium20acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite
indole[no description available]medium10indole;
polycyclic heteroarene		Escherichia coli metabolite
indican[no description available]medium10beta-D-glucoside;
exopolysaccharide;
indolyl carbohydrate
phytosterols[no description available]medium10
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
s-nitro-n-acetylpenicillamine[no description available]medium10
galactitol[no description available]medium10hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
lyoniside[no description available]medium10
proximadiol[no description available]medium10eudesmane sesquiterpenoidmetabolite
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
stachydrine[no description available]medium10alkaloid;
amino-acid betaine;
N-methyl-L-alpha-amino acid		food component;
human blood serum metabolite;
plant metabolite
hexobarbital[no description available]medium10barbiturates
amanitins[no description available]medium20
carbon tetrachloride[no description available]medium10chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
sodium cyanide[no description available]medium10cyanide salt;
one-carbon compound;
sodium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor
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
ethylene glycol[no description available]low00ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
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]low00monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
4-hydroxymandelic acid[no description available]low002-hydroxy carboxylic acid;
phenols		metabolite
aminoethylphosphonic acid[no description available]low00phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite
hydrogen sulfide[no description available]low00gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
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]low00imidazolidine-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
orotic acid[no description available]low00pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
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
n-acetyltryptophan[no description available]low00N-acetyl-amino acid;
tryptophan derivative		metabolite
arecoline[no description available]low00enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
berberine[no description available]low00alkaloid 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
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
thymidine[no description available]low00pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
glutamine[no description available]low00amino 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
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
trichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse 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
4-butyrolactone[no description available]low00butan-4-olidemetabolite;
neurotoxin
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]low00monocarboxylic 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]low00amino 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
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]low00aporphine 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]low00carbohydrate 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
1,4-dioxane[no description available]low00dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
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
pravastatin[no description available]low003-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
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]medium00organic 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
masoprocol[no description available]low00nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
7-methyladenine[no description available]low00methyladeninemetabolite
acetylisoniazid[no description available]low00carbohydrazidemetabolite
illimaquinone[no description available]low00monohydroxy-1,4-benzoquinones;
prenylquinone		metabolite
coptisine[no description available]low00alkaloidmetabolite
narciclasine[no description available]low00phenanthridinesmetabolite
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]low00beta-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]low00imidazoles;
monocarboxylic acid		GABA agonist;
metabolite
2-(2-aminoethyl)pyridine[no description available]low00aminoalkylpyridine;
primary amine		histamine agonist;
metabolite
xanthurenic acid 8-methyl ether[no description available]low00aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse 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
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]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite
3-acetyllupeol[no description available]medium00organic 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
dehydroabietic acid[no description available]low00abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
palmitone[no description available]low00dialkyl ketoneanticonvulsant;
metabolite
1-methylthymine[no description available]low00methylthyminemetabolite
imidazoleacetic acid[no description available]low00imidazoles;
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]low00enone;
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
diosgenin[no description available]low003beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite
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
p-methoxy-n-methylphenethylamine[no description available]low00aromatic ether;
secondary amino compound		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
aristolochic acid ii[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
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]low00aromatic 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]low00furonaphthodioxole;
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]low001-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite
6,6'-bieckol[no description available]low00aromatic 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]medium00organic molecular entitymetabolite
endocrocin[no description available]low00monocarboxylic 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]low00aromatic ether;
phenols;
phenylacetic acids		metabolite
4-amino-2-methoxypyrimidine[no description available]low00aminopyrimidine;
aromatic ether;
methylcytosine		metabolite
asimilobine[no description available]low00aporphine alkaloidmetabolite
aristolochic acid D[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
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
aristolochic acid c[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
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]low00benzophenanthridine 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
2-hydroxyestradiol[no description available]low0017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
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
salicin[no description available]low00aromatic 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
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]low001-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]medium00organic molecular entitymetabolite
cleomiscosin a[no description available]low00aromatic 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]medium00organic molecular entitymetabolite
pyochelin[no description available]low00monocarboxylic 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]low00anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite
malvidin-3-glucoside[no description available]low00anthocyanin 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]low00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite
latrunculin a[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
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
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]low00aromatic 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]low00aromatic 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
captax[no description available]low00aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
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
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
fumonisin b1[no description available]low00diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite
olivetolic acid[no description available]low00benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite
hirsutine, (16e,20beta)-isomer[no description available]low00alkaloidmetabolite
Ganodermanontriol[no description available]low00triterpenoidmetabolite
dieckol[no description available]low00aromatic 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]low00aromatic 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]medium00organic 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
calcitriol[no description available]low00D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
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
apigetrin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
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
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]low00aromatic 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
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
bellidifolin[no description available]low00polyphenol;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
metabolite
demethylbellidifolin[no description available]low00tetrol;
xanthones		antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger
hinokiflavone[no description available]low00aromatic 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]low00aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite
isoscutellarein[no description available]low00tetrahydroxyflavonemetabolite
norwogonin[no description available]low00trihydroxyflavoneantioxidant;
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
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
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
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide[no description available]low00hydroxycinnamic acidmetabolite
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
salutaridine[no description available]low00morphinane alkaloidanti-HBV 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]low00aromatic 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]low00epoxide;
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
latrunculin b[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
falcarindiol[no description available]medium00organic 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
manoalide[no description available]low00butenolide;
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
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
sq-23377[no description available]low00cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite
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]low00cyclic ether;
enone;
organic heterotetracyclic compound;
sesquiterpenoid		GABA antagonist;
metabolite
fr 148083[no description available]low00aromatic 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]low00aromatic 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]low00aromatic 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]low00aromatic 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]low00aromatic 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]low001-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]low00aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
corynoxine[no description available]low00indolizinesmetabolite
7-phloroeckol[no description available]low00aromatic 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]low00aromatic 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]low00carbobicyclic 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]low00acetate 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]low00alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite
liphagal[no description available]low00aldehyde;
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]low00enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound		anti-HIV agent;
metabolite
lyoniresinol[no description available]low00dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		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]low00organic 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
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]low00indole 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]low00aromatic 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]low00cyclic 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]low00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
caribenol a[no description available]low00organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite
halisulfate 1[no description available]medium00organic molecular entitymetabolite
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]low00alkaloid;
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]low00aromatic 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]medium00organic 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]low0011-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]low0011-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]low002,5-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]medium00organic 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
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
Acetylpheneturide[no description available]low00organic molecular entity
afloqualone[no description available]low00organic molecular entity
aranidipine[no description available]low00organic molecular entity
bromazepam[no description available]low00organic molecular entity
seratrodast[no description available]low00organic molecular entity
brotizolam[no description available]low00organic molecular entity
cadralazine[no description available]low00organic molecular entity
carbazilquinone[no description available]low00organic molecular entity
clinofibrate[no description available]low00organic molecular entity
clotiazepam[no description available]low00organic molecular entity
cyclofenil[no description available]low00organic molecular entity
ebastine[no description available]low00organic molecular entity
emorfazone[no description available]low00organic molecular entity
ethenzamide[no description available]low00organic molecular entity
ethyl loflazepate[no description available]low00organic molecular entity
etizolam[no description available]low00organic molecular entity
amidoline[no description available]low00organic molecular entity
floctafenine[no description available]low00organic molecular entity
flopropione[no description available]low00organic molecular entity
fp 83[no description available]low00organic molecular entity
flutazolam[no description available]low00hemiaminal ether;
organic molecular entity
flutoprazepam[no description available]low00organic molecular entity
glybuzole[no description available]low00organic molecular entity
haloxazolam[no description available]low00organic molecular entity
ibuprofen piconol[no description available]low00organic molecular entity
iothalamic acid[no description available]low00organic molecular entity
iotrolan[no description available]low00organic molecular entity
iotroxic acid[no description available]low00organic molecular entity
mazindol[no description available]low00organic molecular entity
medazepam[no description available]low00organic molecular entity
mefruside[no description available]low00organic molecular entity
meprobamate[no description available]low00organic molecular entity
metharbital[no description available]low00organic molecular entity
methyprylon[no description available]low00organic molecular entity
niceritrol[no description available]low00organic molecular entity
oxazolam[no description available]low00hemiaminal ether;
organic molecular entity
oxypertine[no description available]low00organic molecular entity
pirenoxine[no description available]low00organic molecular entity
propyliodone[no description available]low00organic molecular entity
repirinast[no description available]low00organic molecular entity
simfibrate[no description available]low00organic molecular entity
sobuzoxane[no description available]low00organic molecular entity
sulthiame[no description available]low00organic molecular entity
tazanolast[no description available]low00organic molecular entity
tofisopam[no description available]low00organic molecular entity
3-(2',4',5'-triethoxybenzoyl)propionic acid[no description available]low00organic molecular entity
cn 100[no description available]low00organic molecular entity
procaine hydrochloride[no description available]low00organic molecular entity
Mebutamate[no description available]low00organic molecular entity
methandrostenolone[no description available]low00organic molecular entity
tetramethylammonium chloride[no description available]low00organic molecular entity
methsuximide[no description available]low00organic molecular entity
1-phenylpropanol[no description available]low00organic molecular entity
butylparaben[no description available]low00organic molecular entity
efloxate[no description available]low00organic molecular entity
sulfan blue[no description available]low00organic molecular entity
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt[no description available]low00organic molecular entity
cycloguanil hydrochloride[no description available]low00hydrochloride;
organic molecular entity
nicarbazin[no description available]low00organic molecular entity
fluocinonide[no description available]low00organic molecular entity
copper gluconate[no description available]low00organic molecular entity
naphazoline hydrochloride[no description available]low00organic molecular entity
doxylamine succinate[no description available]low00organic molecular entity
carbamylhydrazine monohydrochloride[no description available]low00organic molecular entity
isosorbide[no description available]low00organic molecular entity
bucetin[no description available]low00organic molecular entity
tetradecyltrimethylammonium bromide[no description available]low00organic molecular entity
rimantadine hydrochloride[no description available]low00organic molecular entity
nitrofen[no description available]low00organic molecular entityEC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
perlapine[no description available]low00organic molecular entity
clorexolone[no description available]low00organic molecular entity
iobenzamic acid[no description available]low00organic molecular entity
sulfamethomidine[no description available]low00organic molecular entity
Brilliant Blue[no description available]low00organic molecular entity
pyrodifenium bromide[no description available]low00organic molecular entity
didecyldimethylammonium chloride[no description available]low00organic molecular entity
iocarmic acid[no description available]low00organic molecular entity
bisoxatin acetate[no description available]low00organic molecular entity
levamisole hydrochloride[no description available]low00organic molecular entity
halazepam[no description available]low00organic molecular entity
nicomol[no description available]low00organic molecular entity
feprazone[no description available]low00organic molecular entity
b 10610[no description available]low00organic molecular entity
haloperidol decanoate[no description available]low00organic molecular entity
pinacidil[no description available]low00organic molecular entity
loxiglumide[no description available]low00organic molecular entity
saquinavir monomethanesulfonate[no description available]low00organic molecular entity
Pronetalol hydrochloride[no description available]low00organic molecular entity
phenelzine sulfate[no description available]low00organic molecular entity
magnesium peroxide[no description available]low00organic molecular entity
dexamethasone 21-palmitate[no description available]low00organic molecular entity
nilverm[no description available]low00organic molecular entity
diumide[no description available]low00organic molecular entity
docarpamine[no description available]low00organic molecular entity
clobetasone butyrate[no description available]low00organic molecular entity
enocitabine[no description available]low00organic molecular entity
ranimustine[no description available]low00organic molecular entity
protizinic acid[no description available]low00organic molecular entity
nipradilol[no description available]low00organic molecular entity
panipenem[no description available]low00organic molecular entity
p-Aminobenzamidine dihydrochloride[no description available]low00organic molecular entity
halopredone acetate[no description available]low00organic molecular entity
phenmetrazine hydrochloride[no description available]low00organic molecular entity
isometamidium chloride[no description available]low00organic molecular entity
melanotan-ii[no description available]low00organic molecular entity
anecortave acetate[no description available]low00organic molecular entity
aluminum phthalocyanine[no description available]low00organic molecular entity
olprinone[no description available]low00organic molecular entity
clidanac[no description available]low00organic molecular entity
enkephalin-met, arg(6)-phe(7)-[no description available]low00organic molecular entity
angiotensin ii, des-asp(1)-des-arg(2)-ile(5)-[no description available]low00organic molecular entity
ramatroban[no description available]low00organic molecular entity
3-acetylpyridine adenine dinucleotide[no description available]low00organic molecular entity
iguratimod[no description available]low00organic molecular entity
blonanserin[no description available]low00organic molecular entity
fudosteine[no description available]low00organic molecular entity
timepidium bromide[no description available]low00organic molecular entity
2-(2-hydroxy-4-methylphenyl)aminothiazole[no description available]low00organic molecular entity
cupric hydroxide[no description available]low00organic molecular entity
beta-mercaptolactate cysteine disulfide[no description available]low00organic molecular entity
s 8308[no description available]low00organic molecular entity
hydroxylamine hydrochloride[no description available]low00organic molecular entity
gestonorone caproate[no description available]low00organic molecular entity
epitiostanol[no description available]low00organic molecular entity
halcinonide[no description available]low00organic molecular entitySMO receptor agonist
oxendolone[no description available]low00organic molecular entity
dironyl[no description available]low00organic molecular entity
ao 128[no description available]low00organic molecular entity
ditiocarb sodium[no description available]low00organic molecular entity
aceglatone[no description available]low00organic molecular entity
opc-2009[no description available]low00organic molecular entity
bucillamine[no description available]low00organic molecular entity
cefsulodin sodium[no description available]low00organic molecular entity
n-(3,4-dimethoxyphenyl)-n-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitrobenzamide hydrochloride[no description available]low00organic molecular entity
4E2RCat[no description available]low00organic molecular entity
potassium oxonate[no description available]low00organic molecular entity
p-aminosalicylic acid monosodium salt[no description available]low00organic molecular entity
1-deoxyfructose[no description available]low00organic molecular entity
ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoate[no description available]low00organic molecular entity
pyrantel pamoate[no description available]low00organic molecular entity
chlorpheniramine maleate[no description available]low00organic molecular entity
dexchlorpheniramine maleate[no description available]low00organic molecular entity
gsh-prostaglandin a1[no description available]low00organic molecular entity
lafutidine[no description available]low00organic molecular entity
pheniramine maleate[no description available]low00organic molecular entity
sf 837[no description available]low00organic molecular entity
gefarnate[no description available]low00organic molecular entity
sorivudine[no description available]low00organic molecular entity
ornoprostil[no description available]low00organic molecular entity
cd 3400[no description available]low00organic molecular entity
rokitamycin[no description available]low00organic molecular entity
prednisolone farnesylate[no description available]low00organic molecular entity
dinoprost tromethamine[no description available]low00organic molecular entity
phenoxybenzamine hydrochloride[no description available]low00organic molecular entity
proscillaridin[no description available]low00organic molecular entity
goserelin[no description available]low00organic molecular entity
azodicarbonamide[no description available]low00organic molecular entity
maxacalcitol[no description available]low00organic molecular entity
longiborneol[no description available]low00organic molecular entity
ozagrel, monohydrochloride, (e)-isomer[no description available]low00organic molecular entity
microcystin rr[no description available]low00microcystin;
organic molecular entity		bacterial metabolite;
environmental contaminant;
xenobiotic
lankacidins[no description available]low00organic molecular entity
romurtide[no description available]low00organic molecular entity
ciclesonide[no description available]low00organic molecular entity
fursultiamin monohydrochloride[no description available]low00organic molecular entity
pentagastrin[no description available]low00organic molecular entity
mepitiostane[no description available]low00organic molecular entity
calcium sulfide[no description available]low00organic molecular entity
barettin[no description available]low00organic molecular entity
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,[no description available]low00organic molecular entity
nociceptin[no description available]low00organic molecular entity;
polypeptide		human metabolite;
rat metabolite
sodium salicylate[no description available]low00organic molecular entity
n-(2-methylbenzyl)linoleamide[no description available]low00organic molecular entity
novobiocin sodium[no description available]low00organic molecular entity
cefoperazone sodium[no description available]low00organic molecular entity
osteum[no description available]low00organic molecular entity
cefoxitin sodium[no description available]low00organic molecular entity
dexon (fungicide), sodium salt[no description available]low00organic molecular entity
zinacef[no description available]low00organic molecular entity
sodium iodate[no description available]low00organic molecular entity
pyrithiobac sodium[no description available]low00organic molecular entity
cortisol succinate, sodium salt[no description available]low00organic molecular entity
sodium 2,6-dichloroindophenol[no description available]low00organic molecular entity
quinupristin-dalfopristin[no description available]low00organic molecular entity
gyy 4137[no description available]low00organic molecular entity
spinetoram[no description available]low00organic molecular entity
gimeracil[no description available]low00organic molecular entity
vt-1161[no description available]low00organic molecular entity
3-hydroxykynurenine glucoside[no description available]low00organic molecular entity
dBET6[no description available]low00organic molecular entity
MZ1[no description available]low00organic molecular entity
staphylopine(1-)[no description available]low00organic molecular entity
pseudopaline(2-)[no description available]low00organic molecular entity
valtrex[no description available]low00organic molecular entity
hlo 7[no description available]low00organic molecular entity
7-deazaguanine[no description available]low00organic molecular entity
7,8-dihydropterin[no description available]low00organic molecular entity;
pterins
pteroylpentaglutamic acid[no description available]low00organic molecular entity
amicoumacin a[no description available]low00organic molecular entity
ConditionIndicatedRelationship StrengthStudiesTrials
Absence Seizure0low10
Absence Seizures0low10
Absence Status0low10
Acquired Metabolic Diseases, Brain0low10
Acquired Metabolic Diseases, Nervous System0low10
Acquired Metabolic Encephalopathies0low10
Acute Kidney Failure0low10
Acute Kidney Injury0low10
Acute Kidney Insufficiency0low10
Acute Liver Injury, Drug-Induced0low20
Acute Lung Injury0low20
Acute Renal Failure0low10
Acute Renal Injury0low10
Acute Renal Insufficiency0low10
Adjuvant Arthritis0low10
Age-Related Osteoporosis0low20
Aging0low20
Allodynia0low20
Allodynia, Mechanical0low20
Allodynia, Tactile0low20
Allodynia, Thermal0low20
Alloxan Diabetes0low80
Alveolitis, Fibrosing0low10
Anasarca0low10
Arthritis, Adjuvant0low10
Arthritis, Adjuvant-Induced0low10
Arthritis, Collagen-Induced0low10
Arthritis, Degenerative0low20
Arthritis, Experimental0low10
Arthritis, Rheumatoid0low10
Arthroses0low20
Arthrosis0low20
Atonic Absence Seizure0low10
Atonic Absence Seizures0low10
Atonic Seizure0low10
Atonic Seizures0low10
Aura0low10
Autoimmune Diabetes0low20
Autosomal Dominant Juvenile Parkinson Disease0low10
Autosomal Dominant Juvenile Parkinsonism0low10
Autosomal Dominant Parkinsonism0low10
Autosomal Recessive Juvenile Parkinson Disease0low10
Autosomal Recessive Juvenile Parkinsonism0low10
Autosomal Recessive Parkinsonism0low10
Awakening Epilepsy0low10
Benign Neoplasms0low20
Body Weight0low20
Bone Loss, Age-Related0low20
Brain Damage, Chronic0low10
Brain Diseases0low10
Brain Diseases, Metabolic0low10
Brain Diseases, Metabolic, Acquired0low10
Brain Disorders0low10
Brain Disorders, Metabolic0low10
Brain Disorders, Metabolic, Acquired0low10
Brain Injuries, Traumatic0low10
Brain Syndrome, Metabolic0low10
Brain Syndrome, Metabolic, Acquired0low10
Cancer0low20
Cancer of Lung0low20
Cancer of the Lung0low20
Carbon Tetrachloride Poisoning0low10
Carcinoma, Non-Small Cell Lung0low20
Carcinoma, Non-Small-Cell Lung0low20
Cardiac Diseases0low10
Cardiac Disorders0low10
Cardiac Failure0low10
Cardiac Remodeling, Ventricular0low20
Cardiovascular Stroke0low10
CCl4 Poisoning0low10
Central Nervous System Disorders, Intracranial0low10
Central Nervous System Intracranial Disorders0low10
Central Nervous System Metabolic Disorders0low10
Chemical and Drug Induced Liver Injury0low20
Chemically-Induced Liver Toxicity0low20
Chromosome 6-Linked Autosomal Recessive Parkinsonism0low10
Chronic Encephalopathy0low10
Cirrhosis0low10
Cirrhosis, Liver0low20
Clonic Seizure0low10
Clonic Seizures0low10
CNS Disorders, Intracranial0low10
CNS Metabolic Disorders0low10
CNS Metabolic Disorders, Acquired0low10
Cochlear Hearing Loss0low10
Cognition Disorders0low10
Collagen Arthritis0low10
Complex Partial Seizure0low10
Complex Partial Seizures0low10
Complex Partial Status Epilepticus0low10
Complications of Diabetes Mellitus0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Congestive Heart Failure0low10
Convulsion0low10
Convulsion, Non-Epileptic0low10
Convulsions0low10
Convulsive Seizure0low10
Convulsive Seizures0low10
Cough0low10
Deafness Neurosensory0low10
Deafness, Transitory0low10
Degenerative Disc Disease0low10
Degenerative Intervertebral Discs0low10
Degenerative Intervertebral Disks0low10
Depression0low10
Depression, Endogenous0low10
Depression, Neurotic0low10
Depression, Unipolar0low10
Depressive Disorder0low10
Depressive Syndrome0low10
Diabetes Complications0low10
Diabetes Mellitus, Adult-Onset0low30
Diabetes Mellitus, Brittle0low20
Diabetes Mellitus, Experimental0low80
Diabetes Mellitus, Insulin-Dependent0low20
Diabetes Mellitus, Insulin-Dependent, 10low20
Diabetes Mellitus, Juvenile-Onset0low20
Diabetes Mellitus, Ketosis-Prone0low20
Diabetes Mellitus, Ketosis-Resistant0low30
Diabetes Mellitus, Maturity-Onset0low30
Diabetes Mellitus, Non Insulin Dependent0low30
Diabetes Mellitus, Non-Insulin-Dependent0low30
Diabetes Mellitus, Noninsulin Dependent0low30
Diabetes Mellitus, Noninsulin-Dependent0low30
Diabetes Mellitus, Slow-Onset0low30
Diabetes Mellitus, Stable0low30
Diabetes Mellitus, Sudden-Onset0low20
Diabetes Mellitus, Type 10low20
Diabetes Mellitus, Type 20low30
Diabetes Mellitus, Type I0low20
Diabetes Mellitus, Type II0low30
Diabetes-Related Complications0low10
Diabetes, Autoimmune0low20
Diabetic Complications0low10
Disc Degeneration0low10
Disc Degradation0low10
Disease Models, Animal0low180
Disk Degeneration0low10
Disk Degradation0low10
Dropsy0low10
Drug-Induced Acute Liver Injury0low20
Drug-Induced Cochlear Toxicity0low10
Drug-Induced Cochleotoxicity0low10
Drug-Induced Liver Disease0low20
Drug-Induced Liver Injury0low20
Drug-Induced Otological Toxicity0low10
Drug-Induced Ototoxicity0low10
Drug-Induced Vestibular Toxicity0low10
Drug-Induced Vestibulotoxicity0low10
Drug-Related Cochlear Toxicity0low10
Drug-Related Cochleotoxicity0low10
Drug-Related Otological Toxicity0low10
Drug-Related Ototoxicity0low10
Dry Eye0low10
Dry Eye Disease0low10
Dry Eye Syndromes0low10
Edema0low10
Encephalon Diseases0low10
Encephalopathies, Metabolic0low10
Encephalopathy0low10
Encephalopathy, Chronic0low10
Encephalopathy, Metabolic, Acquired0low10
Encephalopathy, Traumatic0low10
Enteritis0low10
Epilepsy0low10
Epilepsy, Cryptogenic0low10
Epileptic Seizure0low10
Epileptic Seizures0low10
Evaporative Dry Eye0low10
Evaporative Dry Eye Disease0low10
Evaporative Dry Eye Syndrome0low10
Experimental Diabetes Mellitus0low80
Experimental Parkinson Disease0low10
Experimental Parkinsonism0low10
Experimental Parkinsonism, MPTP-Induced0low10
Extravascular Hemolysis0low10
Familial Juvenile Parkinsonism0low10
Familial Parkinson Disease, Autosomal Recessive0low10
Fatty Liver, Nonalcoholic0low10
Fever, Zika0low10
Fibroses, Pulmonary0low10
Fibrosis0low10
Fibrosis, Liver0low20
Fibrosis, Pulmonary0low10
Gastric Ulcer0low10
Generalized Absence Seizure0low10
Generalized Absence Seizures0low10
Generalized Convulsive Status Epilepticus0low10
Generalized Tonic-Clonic Seizures0low10
Grand Mal Status Epilepticus0low10
Granulocytic Leukemia0low10
Granuloma0low10
Granulomas0low10
Haemolysis0low10
Hearing Impairment0low10
Hearing Loss0low10
Hearing Loss, Cochlear0low10
Hearing Loss, Sensorineural0low10
Hearing Loss, Transitory0low10
Heart Attack0low10
Heart Decompensation0low10
Heart Diseases0low10
Heart Disorders0low10
Heart Failure0low10
Heart Failure, Congestive0low10
Heart Failure, Left-Sided0low10
Heart Failure, Right-Sided0low10
Hemolysis0low10
Hepatic Cirrhosis0low20
Hepatitis0low10
Hepatitis, Drug-Induced0low20
Hepatitis, Toxic0low20
Hydrops0low10
Hyperalgesia0low20
Hyperalgesia, Mechanical0low20
Hyperalgesia, Primary0low20
Hyperalgesia, Secondary0low20
Hyperalgesia, Tactile0low20
Hyperalgesia, Thermal0low20
Hyperalgesic Sensations0low20
Hyperalgia0low20
Hyperalgia, Mechanical0low20
Hyperalgia, Primary0low20
Hyperalgia, Secondary0low20
Hypertrophy0low10
Hypoacusis0low10
IDDM0low20
Idiopathic Diffuse Interstitial Pulmonary Fibrosis0low10
Idiopathic Parkinson Disease0low10
Idiopathic Parkinson's Disease0low10
Infertility, Male0low10
Inflammation0low80
Injuries, Spinal Cord0low10
Injury, Brain, Traumatic0low10
Innate Inflammatory Response0low80
Insulin-Dependent Diabetes Mellitus 10low20
Intervertebral Disc Degeneration0low10
Intervertebral Disk Degeneration0low10
Intracranial Central Nervous System Disorders0low10
Intracranial CNS Disorders0low10
Intravascular Hemolysis0low10
Ischemia0low10
Jacksonian Seizure0low10
Juvenile Parkinson Disease0low10
Juvenile Parkinson Disease, Autosomal Dominant0low10
Juvenile Parkinson Disease, Autosomal Recessive0low10
Juvenile Parkinsonism, Autosomal Dominant0low10
Juvenile Parkinsonism, Autosomal Recessive0low10
Juvenile-Onset Diabetes0low20
Kidney Failure, Acute0low10
Kidney Insufficiency, Acute0low10
Left Ventricle Remodeling0low20
Left Ventricular Remodeling0low20
Left-Sided Heart Failure0low10
Leukemia, Granulocytic0low10
Leukemia, Monocytic, Chronic0low10
Leukemia, Myelocytic0low10
Leukemia, Myelogenous0low10
Leukemia, Myeloid0low10
Lewy Body Parkinson Disease0low10
Lewy Body Parkinson's Disease0low10
Liver Cirrhosis0low20
Liver Fibrosis0low20
Liver Injury, Drug-Induced0low20
Liver Injury, Drug-Induced, Acute0low20
Lung Cancer0low20
Lung Injury, Acute0low20
Lung Neoplasms0low20
Malignancy0low20
Malignant Neoplasms0low20
Maturity-Onset Diabetes0low30
Maturity-Onset Diabetes Mellitus0low30
Mechanical Allodynia0low20
Mechanical Hyperalgesia0low20
Melancholia0low10
Metabolic Brain Diseases0low10
Metabolic Brain Diseases, Acquired0low10
Metabolic Brain Syndrome0low10
Metabolic Brain Syndrome, Acquired0low10
Metabolic Brain Syndromes0low10
Metabolic Brain Syndromes, Acquired0low10
Metabolic Diseases, Acquired, Nervous System0low10
Metabolic Disorder, Central Nervous System, Acquired0low10
Metabolic Disorders, Brain0low10
Metabolic Disorders, Central Nervous System0low10
Metabolic Disorders, CNS0low10
Metabolic Disorders, CNS, Acquired0low10
Metabolic Encephalopathies0low10
MODY0low30
Monocytic Leukemia, Chronic0low10
MPTP-Induced Experimental Parkinsonism0low10
Mushroom Poisoning0low10
Myelocytic Leukemia0low10
Myelogenous Leukemia0low10
Myeloid Leukemia0low10
Myelopathy, Traumatic0low10
Myocardial Failure0low10
Myocardial Infarct0low10
Myocardial Infarction0low10
Myocardial Remodeling, Ventricular0low20
Myoclonic Seizure0low10
Myoclonic Seizures0low10
NAFLD0low10
Necrosis0low10
Neoplasia0low20
Neoplasm0low20
Neoplasms0low20
Neoplasms, Benign0low20
Neoplasms, Lung0low20
Neoplasms, Pulmonary0low20
Nervous System Acquired Metabolic Diseases0low10
Neuroblastoma0low10
Neurosis, Depressive0low10
NIDDM0low30
Non-alcoholic Fatty Liver Disease0low10
Non-Convulsive Status Epilepticus0low10
Non-Epileptic Seizure0low10
Non-Epileptic Seizures0low10
Non-Small Cell Lung Cancer0low20
Non-Small Cell Lung Carcinoma0low20
Non-Small-Cell Lung Carcinoma0low20
Nonalcoholic Fatty Liver Disease0low10
Nonalcoholic Steatohepatitis0low10
Nonepileptic Seizure0low10
Nonepileptic Seizures0low10
Noninsulin-Dependent Diabetes Mellitus0low30
Nonsmall Cell Lung Cancer0low20
Osteoarthritis0low20
Osteoarthritis of Knee0low10
Osteoarthritis of the Knee0low10
Osteoarthritis, Knee0low10
Osteoarthrosis0low20
Osteoarthrosis Deformans0low20
Osteoporosis0low20
Osteoporosis, Age-Related0low20
Osteoporosis, Involutional0low20
Osteoporosis, Post-Traumatic0low20
Osteoporosis, Senile0low20
Ototoxicity0low10
Overinclusion0low10
Paralysis Agitans0low10
Parkinson Disease0low10
Parkinson Disease 20low10
Parkinson Disease 2, Autosomal Recessive Juvenile0low10
Parkinson Disease Autosomal Recessive, Early Onset0low10
Parkinson Disease, Autosomal Dominant. Juvenile0low10
Parkinson Disease, Experimental0low10
Parkinson Disease, Familial, Autosomal Recessive0low10
Parkinson Disease, Idiopathic0low10
Parkinson Disease, Juvenile0low10
Parkinson Disease, Juvenile, Autosomal Dominant0low10
Parkinson Disease, Juvenile, Autosomal Recessive0low10
Parkinson's Disease0low10
Parkinson's Disease, Idiopathic0low10
Parkinson's Disease, Lewy Body0low10
Parkinsonian Diseases0low10
Parkinsonian Disorders0low10
Parkinsonian Syndrome0low10
Parkinsonian Syndromes0low10
Parkinsonism0low10
Parkinsonism, Early Onset, with Diurnal Fluctuation0low10
Parkinsonism, Early-Onset, With Diurnal Fluctuation0low10
Parkinsonism, Experimental0low10
Parkinsonism, Juvenile0low10
Parkinsonism, Juvenile, Autosomal Dominant0low10
Parkinsonism, Juvenile, Autosomal Recessive0low10
Partial Seizure0low10
Partial Seizures0low10
Peripheral Nerve Diseases0low10
Peripheral Nervous System Disease0low10
Peripheral Nervous System Diseases0low10
Peripheral Nervous System Disorders0low10
Peripheral Neuropathies0low10
Petit Mal Convulsion0low10
Petit Mal Status0low10
PNS (Peripheral Nervous System) Diseases0low10
PNS Diseases0low10
Poisoning, Carbon Tetrachloride0low10
Poisoning, CCl40low10
Poisoning, Mushroom0low10
Post-Traumatic Myelopathy0low10
Primary Parkinsonism0low10
Pulmonary Cancer0low20
Pulmonary Fibroses0low10
Pulmonary Fibrosis0low10
Pulmonary Neoplasms0low20
Ramsay Hunt Paralysis Syndrome0low10
Renal Failure, Acute0low10
Renal Insufficiency, Acute0low10
Retinal Degeneration0low10
Rheumatoid Arthritis0low10
Right-Sided Heart Failure0low10
Segond Fracture0low10
Seizure0low10
Seizure Disorder0low10
Seizures0low10
Seizures, Auditory0low10
Seizures, Clonic0low10
Seizures, Convulsive0low10
Seizures, Epileptic0low10
Seizures, Focal0low10
Seizures, Generalized0low10
Seizures, Gustatory0low10
Seizures, Motor0low10
Seizures, Olfactory0low10
Seizures, Sensory0low10
Seizures, Somatosensory0low10
Seizures, Tonic0low10
Seizures, Tonic-Clonic0low10
Seizures, Vertiginous0low10
Seizures, Vestibular0low10
Seizures, Visual0low10
Senile Osteoporosis0low20
Sensitivity and Specificity0low10
Sensorineural Hearing Loss0low10
Simple Partial Status Epilepticus0low10
Single Seizure0low10
Skin Aging0low10
Spinal Cord Contusion0low10
Spinal Cord Injuries0low10
Spinal Cord Laceration0low10
Spinal Cord Transection0low10
Spinal Cord Trauma0low10
Status Epilepticus0low10
Status Epilepticus, Complex Partial0low10
Status Epilepticus, Electrographic0low10
Status Epilepticus, Generalized0low10
Status Epilepticus, Generalized Convulsive0low10
Status Epilepticus, Grand Mal0low10
Status Epilepticus, Non-Convulsive0low10
Status Epilepticus, Simple Partial0low10
Status Epilepticus, Subclinical0low10
Sterility, Male0low10
Stomach Ulcer0low10
Streptozocin Diabetes0low80
Streptozotocin Diabetes0low80
Sub-Fertility, Male0low10
Subfertility, Male0low10
Tactile Allodynia0low20
TBI (Traumatic Brain Injury)0low10
TBIs (Traumatic Brain Injuries)0low10
Thermal Allodynia0low20
Tibial Fractures0low10
Tillaux Fracture0low10
Toddler's Fracture0low10
Tonic Clonic Seizure0low10
Tonic Seizure0low10
Tonic Seizures0low10
Tonic-Clonic Seizure0low10
Tonic-Clonic Seizures0low10
Toxic Hepatitis0low20
Transitory Hearing Loss0low10
Trauma, Brain0low10
Traumatic Brain Injury0low10
Traumatic Encephalopathy0low10
Tumors0low20
Type 1 Diabetes0low20
Type 1 Diabetes Mellitus0low20
Type 2 Diabetes0low30
Type 2 Diabetes Mellitus0low30
Unipolar Depression0low10
Ventricle Remodeling0low20
Ventricular Remodeling0low20
Xerophthalmia0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (2)

ArticleYear
Aucubin protects mouse cochlear hair cells from cisplatin-induced ototoxicity via activation of the PI3K/AKT/STAT3 pathway.
Biochemical pharmacology, Volume: 209		2023
Eucommia ulmoides cortex, geniposide and aucubin regulate lipotoxicity through the inhibition of lysosomal BAX.
PloS one, Volume: 9, Issue: 2		2014
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (6)

ArticleYear
Determination of aucubin by supramolecular solvent-based dispersive liquid-liquid microextraction and UPLC-MS/MS: Application to a pharmacokinetic study in rats with type 1 diabetes.
Journal of pharmaceutical and biomedical analysis, Jul-15, Volume: 186		2020
Pharmacokinetics and tissue distribution of five active ingredients of Eucommiae cortex in normal and ovariectomized mice by UHPLC-MS/MS.
Xenobiotica; the fate of foreign compounds in biological systems, Volume: 46, Issue: 9		2016
Pharmacokinetics and tissue distribution of Aucubin, Ajugol and Catalpol in rats using a validated simultaneous LC-ESI-MS/MS assay.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Oct-01, Volume: 1002		2015
Development and validation of high liquid performance chromatography-tandem mass spectrometry method for simultaneous determination of geniposidic acid and aucubin in rat plasma for pharmacokinetic study after oral administration of Du-zhong tea extract.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jul-15, Volume: 963		2014
A rapid and sensitive determination of aucubin in rat plasma by liquid chromatography-tandem mass spectrometry and its pharmacokinetic application.
Biomedical chromatography : BMC, Volume: 26, Issue: 9		2012
Pharmacokinetic study of an iridoid glucoside: aucubin.
Pharmaceutical research, Volume: 8, Issue: 8		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (4)

ArticleYear
A review of the pharmacology and toxicology of aucubin.
Fitoterapia, Volume: 140		2020
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Pharmacokinetics and tissue distribution of five active ingredients of Eucommiae cortex in normal and ovariectomized mice by UHPLC-MS/MS.
Xenobiotica; the fate of foreign compounds in biological systems, Volume: 46, Issue: 9		2016
Pharmacokinetic study of an iridoid glucoside: aucubin.
Pharmaceutical research, Volume: 8, Issue: 8		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (2)

ArticleYear
[Study on optimizing the analysis condition for active compound in Eucommia olive].
Guang pu xue yu guang pu fen xi = Guang pu, Volume: 24, Issue: 12		2004
Mechanism of covalent adduct formation of aucubin to proteins.
Toxicology letters, Apr-03, Volume: 114, Issue: 1-3		2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Natural Sources (1)

ArticleYear
Iridoid glucosides in the genus Veronica (Plantaginaceae) from New Zealand.
Phytochemistry, Volume: 140		2017
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]