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

loganin

Cross-References

ID SourceID
PubMed CID87691
CHEMBL ID1081584
CHEBI ID15771
SCHEMBL ID307017
MeSH IDM0165535

Synonyms (79)

Synonym
nsc-606403
1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
CHEBI:15771 ,
methyl (1s,4as,6s,7r,7as)-1-(beta-d-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
DIVK1C_006659
SDCCGMLS-0066747.P001
SPECTRUM_001503
SPECTRUM4_001914
SPECTRUM5_000628
MEGXP0_000723
ACON1_001749
BSPBIO_003350
C01433
18524-94-2
loganin ,
KBIO2_001983
KBIOGR_002535
KBIO2_007119
KBIOSS_001983
KBIO2_004551
KBIO3_002852
KBIO1_001603
SPBIO_001733
SPECPLUS_000563
SPECTRUM3_001875
SPECTRUM2_001637
SPECTRUM1504066
NCGC00178124-02
NCGC00178124-01
LMPR0102070001
5A5AFFBA-93AB-4635-A071-FC87B9DC023D
methyl (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CHEMBL1081584
methyl (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
unii-h7wj16q93c
einecs 242-398-0
methyl (1s-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylate
h7wj16q93c ,
nsc 606403
methyl 6-hydroxy-7-methyl-1-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-1,4a,5
6-hydroxy-7-methyl-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
A812937
cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1s, 4as, 6s, 7r, 7as)-
S3835
CCG-38757
7-hydroxy-6-desoxyverbenalin
(-)-loganin
SCHEMBL307017
AKOS022190418
(1s)-1.alpha.-(.beta.-d-glucopyranosyloxy)-1,4a.alpha.,5,6,7,7a.alpha.-hexahydro-6.alpha.-hydroxy-7.alpha.-methylcyclopenta(c)pyran-4-carboxylic acid methyl ester
loganin [mi]
loganin, (-)-
cyclopenta(c)pyran-4-carboxylic acid, 1-(.beta.-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester
cyclopenta(c)pyran-4-carboxylic acid, 1-(.beta.-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1s-(1.alpha.,4a.alpha.,6.alpha.,7.alpha.,7a.alpha.))-
methyl (1s-(1.alpha.,4a.alpha.,6.alpha.,7.alpha.,7a.alpha.))-1-(.beta.-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylate
cyclopenta(c)pyran-4-carboxylic acid, 1-(.beta.-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1s,4as,6s,7r,7as)-
CS-5019
methyl (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
c17h26o10
AC-34479
Q-100220
HY-N0512
cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1s-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-
loganin, analytical standard
meliatin
NCGC00178124-04
(1s,4as,6s,7r,7as)-methyl 6-hydroxy-7-methyl-1-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
(1s,4as,6s,7r,7as)-methyl 6-hydroxy-7-methyl-1-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
AS-75232
AMBQHHVBBHTQBF-UOUCRYGSSA-N
Q15426222
cyclopenta[c]pyran-4-carboxylic acid,1-(b-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1s,4as,6s,7r,7as)-
bdbm50279529
(1s,4as,6s,7r,7as)-methyl6-hydroxy-7-methyl-1-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester
1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylic acid methyl ester
cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1s,4as,6s,7r,7as)-
(1s)-1alpha-(beta-d-glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-6alpha-hydroxy-7alpha-methylcyclopenta(c)pyran-4-carboxylic acid methyl ester
methyl (1s,4as,6s,7r,7as)-1-(beta-d-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylate

Research Excerpts

Overview

ExcerptReference
"Loganin is an iridoid glycoside with antioxidant, anti-inflammatory, glucose-lowering activities which may address the pathological mechanisms of painful diabetic neuropathy (PDN) related to inflammation, oxidative stress, and hyperglycemia. "( Cheng, YC; Chiu, YM; Dai, ZK; Wu, BN, 2021)
"Loganin is a major iridoid glycoside obtained from the traditional Chinese herb Corni Fructus."( Guo, YX; Han, Y; He, J; Shi, R; Wang, YM; Wang, ZX; Xia, CY; Xu, JK; Yan, Y; Zhang, WK, 2023)
"Loganin is an iridoid glycoside extracted from traditional Chinese medicines, which has multiple activities."( Fan, P; Li, W; Tang, H; Wang, X, 2023)
"Loganin is an iridoid with potent pharmacological effects. "( Jin, J; Luo, Q; Shi, F, 2023)
"Loganin is a major iridoid glycoside and one of the quality control indexes of CF."( Chen, D; Chen, Q; Du, W; Fu, F; Hu, J; Jin, H; Ruan, H; Tong, P; Wu, C; Wu, J; Yao, S; Yu, H; Zhou, J, 2020)
"Loganin is a well-known herbal medicine with glucose-lowering action and neuroprotective activity."( Chang, YC; Chen, JY; Cheng, KI; Cheng, YC; Chu, LW; Dai, ZK; Hsu, JH; Wu, BN; Yeh, JL, 2020)
"Loganin is a major iridoid glycoside isolated from Corni fructus that has been used as an anti-inflammatory agent in various pathological models."( Bae, GS; Choi, JW; Kim, DG; Kim, DU; Kweon, B; Lee, HS; Park, SJ; Shin, JY; Song, HJ; Zhou, Z, 2021)
"Loganin is an iridoid glycoside isolated from Corni fructus and exerts an anti-inflammatory effect in multiple inflammatory diseases; however, the role of loganin in sepsis-induced ALI remains unknown."( Li, X; Wang, C; Wang, H; Xu, J; Yu, K; Zhang, J, 2021)
"Loganin is an iridoid glycoside that has been shown to alleviate a variety of cytotoxic effects."( Chao, G; Cong, F; Ou, X; Song, T; Tian, X; Zhang, W, 2017)
"Loganin is a botanical candidate with anti-inflammatory, anti-oxidant, glucose-lowering and anti-diabetic nephropathy activities."( Chang, FR; Chen, CS; Jong, YJ; Lo, YC; Tseng, YT, 2016)
"Loganin is a major iridoid glycoside obtained from Corni fructus (Cornusofficinalis et Zucc) and demonstrated to have anti-inflammatory, anti-tumor and osteoporosis prevention effects."( Han, SM; Hwang, ES; Kim, HB; Kim, MJ; Lee, S; Lee, SO; Maeng, S; Park, JH, 2017)
"Loganin is an iridoid glycoside found in the Flos lonicerae, Fruit cornus, and Strychonos nux vomica. "( Jang, CG; Kim, HC; Kwon, SH; Lee, SY, 2009)
"Loganin is an important constituent of the traditional Chinese medicine Fructus Corni, with several bioactivities. "( Huo, C; Li, X; Sheng, X; Wang, Q; Zhang, L; Zhang, X, 2008)

Effects

ExcerptReference
"Loganin has been widely concerned due to its extensive pharmacological effects, including anti-diabetic, antiinflammatory, neuroprotective, and anti-tumor activities, etc."( He, J; Li, L; Lian, WW; Peng, Y; Wang, YW; Xia, CY; Xu, JK; Yan, Y; Zhang, F; Zhang, J; Zhang, WK; Zheng, J, 2022)
"Loganin, which has been shown to improve depression-like behavior in mice exposed to acute stress, is probably a potential antidepressant candidate."( Guo, YX; Han, Y; He, J; Shi, R; Wang, YM; Wang, ZX; Xia, CY; Xu, JK; Yan, Y; Zhang, WK, 2023)
"Loganin has potential medicinal value in alleviating neuroinflammation."( Chen, X; Huang, X; Li, Q; Ni, BH; Wang, W, 2023)
"Loganin has been demonstrated to improve depression-like behavior and may be a potential antidepressant candidate."( Ding, K; He, J; Li, L; Lian, WW; Wang, WP; Xia, CY; Xu, JK; Yan, Y; Yang, H; Zhang, F; Zhang, WK, 2024)
"Loganin has been shown to have antioxidant and anti-inflammatory neuroprotective activities."( Chang, YC; Chen, JY; Cheng, YC; Chu, LW; Dai, ZK; Hsieh, SL; Wu, BN, 2020)
"Loganin has been proved to possess the property of anti-inflammation, antioxidant, neuroprotection, and sedation."( Jia, X; Kang, K; Liu, H; Liu, X; Wang, C; Yu, K; Zhang, J, 2021)

Treatment

ExcerptReference
"Loganin treatment also significantly restored body weight gain and attenuated blood glucose changes in the diabetic rats."( Babri, S; Farajdokht, F; Mesgari, M; Mohaddes, G; Nayebi Rad, S; Rajabi, M, 2018)
"Loganin treatment also significantly restored body weight gain and attenuated blood glucose changes in the diabetic rats."( Babri, S; Farajdokht, F; Mesgari, M; Mohaddes, G; Nayebi Rad, S; Rajabi, M, 2018)
"In loganin-treated db/db mice, hyperglycemia and dyslipidemia were ameliorated in both the serum and hepatic tissue; however, in the kidney, only triglyceride was reduced."( Kang, KS; Noh, JS; Park, CH; Shibahara, N; Tanaka, T; Yamabe, N; Yokozawa, T, 2010)
"Pre-treatment of loganin reduced pancreatic damage and AP-associated lung injury and attenuated the severity of AP, as evidenced by (1) a reduction in several biochemical parameters (pancreatic weight to body weight ratio, myeloperoxidase activity, and level of amylase) and (2) production of pro-inflammatory cytokines such as interleukin (IL)-1β and tumor necrosis factor (TNF)-α."( Bae, GS; Choi, SB; Jo, IJ; Kim, DG; Kim, MJ; Lee, SK; Park, SJ; Shin, JY; Shin, S; Song, HJ, 2015)
"Pretreatment with loganin significantly increased cell viability, reduced H(2)O(2)-induced LDH release and ROS production, and effectively increased intracellular MMP."( Hong, SI; Jang, CG; Jung, YH; Kim, HC; Kim, JA; Kwon, SH; Lee, SY, 2011)

Roles (6)

RoleDescription
plant metaboliteAny eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
neuroprotective agentAny compound that can be used for the treatment of neurodegenerative disorders.
EC 3.4.23.46 (memapsin 2) inhibitorAn EC 3.4.23.* (aspartic endopeptidase) inhibitor that interferes with the activity of memapsin 2 (EC 3.4.23.46).
EC 3.2.1.20 (alpha-glucosidase) inhibitorAn EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20).
anti-inflammatory agentAny compound that has anti-inflammatory effects.
EC 3.1.1.7 (acetylcholinesterase) inhibitorAn EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
[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 (7)

ClassDescription
cyclopentapyran
beta-D-glucosideAny D-glucoside in which the anomeric centre has beta-configuration.
enoate esterAn alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
monosaccharide derivativeA carbohydrate derivative that is formally obtained from a monosaccharide.
iridoid monoterpenoidOne of a class of monoterpenoids biosynthesized from isoprene and often intermediates in the biosynthesis of alkaloids. Iridoids usually consist of a cyclopentane ring fused to a six-membered oxygen heterocycle; cleavage of a bond in the cyclopentane ring gives rise to the subclass known as secoiridoids.
methyl esterAny carboxylic ester resulting from the formal condensation of a carboxy group with methanol.
secondary alcoholA secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.
[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]

Pathways (1)

loganin is involved in 1 pathway(s), involving a total of 13 unique proteins and 51 unique compounds

PathwayProteinsCompounds
secologanin and strictosidine biosynthesis1336
Secologanin and strictosidine biosynthesis015

Protein Targets (1)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Signal transducer and activator of transcription 3Homo sapiens (human)IC50 (µMol)14.00000.02304.13789.9800AID1504525
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (76)

Processvia Protein(s)Taxonomy
positive regulation of vascular endothelial growth factor productionSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of transcription by RNA polymerase IISignal transducer and activator of transcription 3Homo sapiens (human)
temperature homeostasisSignal transducer and activator of transcription 3Homo sapiens (human)
eye photoreceptor cell differentiationSignal transducer and activator of transcription 3Homo sapiens (human)
regulation of DNA-templated transcriptionSignal transducer and activator of transcription 3Homo sapiens (human)
regulation of transcription by RNA polymerase IISignal transducer and activator of transcription 3Homo sapiens (human)
protein import into nucleusSignal transducer and activator of transcription 3Homo sapiens (human)
inflammatory responseSignal transducer and activator of transcription 3Homo sapiens (human)
signal transductionSignal transducer and activator of transcription 3Homo sapiens (human)
transforming growth factor beta receptor signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STATSignal transducer and activator of transcription 3Homo sapiens (human)
nervous system developmentSignal transducer and activator of transcription 3Homo sapiens (human)
cell population proliferationSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of cell population proliferationSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of autophagySignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of gene expressionSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of gene expressionSignal transducer and activator of transcription 3Homo sapiens (human)
phosphorylationSignal transducer and activator of transcription 3Homo sapiens (human)
cytokine-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
sexual reproductionSignal transducer and activator of transcription 3Homo sapiens (human)
cell differentiationSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of cell migrationSignal transducer and activator of transcription 3Homo sapiens (human)
intracellular receptor signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
response to estradiolSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of interleukin-1 beta productionSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of interleukin-10 productionSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of interleukin-6 productionSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of interleukin-8 productionSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of tumor necrosis factor productionSignal transducer and activator of transcription 3Homo sapiens (human)
cellular response to hormone stimulusSignal transducer and activator of transcription 3Homo sapiens (human)
leptin-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
somatic stem cell population maintenanceSignal transducer and activator of transcription 3Homo sapiens (human)
interleukin-15-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
interleukin-2-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
interleukin-9-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
interleukin-11-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
regulation of multicellular organism growthSignal transducer and activator of transcription 3Homo sapiens (human)
glucose homeostasisSignal transducer and activator of transcription 3Homo sapiens (human)
eating behaviorSignal transducer and activator of transcription 3Homo sapiens (human)
mRNA transcription by RNA polymerase IISignal transducer and activator of transcription 3Homo sapiens (human)
phosphatidylinositol 3-kinase/protein kinase B signal transductionSignal transducer and activator of transcription 3Homo sapiens (human)
cellular response to leptin stimulusSignal transducer and activator of transcription 3Homo sapiens (human)
response to leptinSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of erythrocyte differentiationSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of Notch signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of angiogenesisSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of glycolytic processSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of DNA-templated transcriptionSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of transcription by RNA polymerase IISignal transducer and activator of transcription 3Homo sapiens (human)
astrocyte differentiationSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of inflammatory responseSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of NF-kappaB transcription factor activitySignal transducer and activator of transcription 3Homo sapiens (human)
regulation of cell cycleSignal transducer and activator of transcription 3Homo sapiens (human)
radial glial cell differentiationSignal transducer and activator of transcription 3Homo sapiens (human)
retinal rod cell differentiationSignal transducer and activator of transcription 3Homo sapiens (human)
regulation of feeding behaviorSignal transducer and activator of transcription 3Homo sapiens (human)
growth hormone receptor signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
growth hormone receptor signaling pathway via JAK-STATSignal transducer and activator of transcription 3Homo sapiens (human)
interleukin-6-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
T-helper 17 type immune responseSignal transducer and activator of transcription 3Homo sapiens (human)
T-helper 17 cell lineage commitmentSignal transducer and activator of transcription 3Homo sapiens (human)
energy homeostasisSignal transducer and activator of transcription 3Homo sapiens (human)
cellular response to interleukin-17Signal transducer and activator of transcription 3Homo sapiens (human)
cell surface receptor signaling pathway via STATSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of inflammatory response to woundingSignal transducer and activator of transcription 3Homo sapiens (human)
interleukin-10-mediated signaling pathwaySignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of cytokine production involved in inflammatory responseSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of miRNA transcriptionSignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of metalloendopeptidase activitySignal transducer and activator of transcription 3Homo sapiens (human)
positive regulation of vascular endothelial cell proliferationSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of primary miRNA processingSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of stem cell differentiationSignal transducer and activator of transcription 3Homo sapiens (human)
negative regulation of neuron migrationSignal transducer and activator of transcription 3Homo sapiens (human)
regulation of cell population proliferationSignal transducer and activator of transcription 3Homo sapiens (human)
response to peptide hormoneSignal transducer and activator of transcription 3Homo sapiens (human)
defense responseSignal transducer and activator of transcription 3Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (21)

Processvia Protein(s)Taxonomy
transcription cis-regulatory region bindingSignal transducer and activator of transcription 3Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingSignal transducer and activator of transcription 3Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificSignal transducer and activator of transcription 3Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificSignal transducer and activator of transcription 3Homo sapiens (human)
DNA bindingSignal transducer and activator of transcription 3Homo sapiens (human)
DNA-binding transcription factor activitySignal transducer and activator of transcription 3Homo sapiens (human)
nuclear receptor activitySignal transducer and activator of transcription 3Homo sapiens (human)
signaling receptor bindingSignal transducer and activator of transcription 3Homo sapiens (human)
protein bindingSignal transducer and activator of transcription 3Homo sapiens (human)
protein kinase bindingSignal transducer and activator of transcription 3Homo sapiens (human)
protein phosphatase bindingSignal transducer and activator of transcription 3Homo sapiens (human)
chromatin DNA bindingSignal transducer and activator of transcription 3Homo sapiens (human)
signaling adaptor activitySignal transducer and activator of transcription 3Homo sapiens (human)
identical protein bindingSignal transducer and activator of transcription 3Homo sapiens (human)
protein homodimerization activitySignal transducer and activator of transcription 3Homo sapiens (human)
protein dimerization activitySignal transducer and activator of transcription 3Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingSignal transducer and activator of transcription 3Homo sapiens (human)
primary miRNA bindingSignal transducer and activator of transcription 3Homo sapiens (human)
lncRNA bindingSignal transducer and activator of transcription 3Homo sapiens (human)
DNA-binding transcription factor bindingSignal transducer and activator of transcription 3Homo sapiens (human)
RNA sequestering activitySignal transducer and activator of transcription 3Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (8)

Processvia Protein(s)Taxonomy
nucleusSignal transducer and activator of transcription 3Homo sapiens (human)
nucleusSignal transducer and activator of transcription 3Homo sapiens (human)
nucleoplasmSignal transducer and activator of transcription 3Homo sapiens (human)
cytoplasmSignal transducer and activator of transcription 3Homo sapiens (human)
cytosolSignal transducer and activator of transcription 3Homo sapiens (human)
plasma membraneSignal transducer and activator of transcription 3Homo sapiens (human)
RNA polymerase II transcription regulator complexSignal transducer and activator of transcription 3Homo sapiens (human)
chromatinSignal transducer and activator of transcription 3Homo sapiens (human)
transcription regulator complexSignal transducer and activator of transcription 3Homo sapiens (human)
cytoplasmSignal transducer and activator of transcription 3Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (29)

Assay IDTitleYearJournalArticle
AID977602Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID671428Inhibition of LPS-induced NF-KB transcriptional activity expressed in HEK-293 cells at 10 ug/ml after 4 hrs by luciferase reporter gene assay relative to LPS-treated group2012Bioorganic & medicinal chemistry letters, Jul-01, Volume: 22, Issue:13
Iridoid glucosides and a C₁₃-norisoprenoid from Lamiophlomis rotata and their effects on NF-κB activation.
AID1504525Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr before IL-6 stimulation for 6 hrs by luciferase reporter gene assay2017Journal of natural products, 12-22, Volume: 80, Issue:12
Cornusides A-O, Bioactive Iridoid Glucoside Dimers from the Fruit of Cornus officinalis.
AID467897Antiviral activity against HCV infected in human Huh7 cells assessed as inhibition of viral replication after 72 hrs by NS5A staining2009Journal of natural products, Dec, Volume: 72, Issue:12
Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.
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.
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.
AID467898Inhibition of human recombinant GST-tagged CD81 protein assessed as HCV E1E2 binding after 1 hr by Western blot analysis2009Journal of natural products, Dec, Volume: 72, Issue:12
Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.
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.
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.
AID671427Inhibition of LPS-induced NF-KB transcriptional activity expressed in HEK-293 cells at 1 ug/ml after 4 hrs by luciferase reporter gene assay relative to LPS-treated group2012Bioorganic & medicinal chemistry letters, Jul-01, Volume: 22, Issue:13
Iridoid glucosides and a C₁₃-norisoprenoid from Lamiophlomis rotata and their effects on NF-κB activation.
AID1504526Cytotoxicity in human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay2017Journal of natural products, 12-22, Volume: 80, Issue:12
Cornusides A-O, Bioactive Iridoid Glucoside Dimers from the Fruit of Cornus officinalis.
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.
AID1545462Inhibition of beta secretase (unknown origin)
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.
AID671429Inhibition of LPS-induced NF-KB transcriptional activity expressed in HEK-293 cells at 100 ug/ml after 4 hrs by luciferase reporter gene assay relative to LPS-treated group2012Bioorganic & medicinal chemistry letters, Jul-01, Volume: 22, Issue:13
Iridoid glucosides and a C₁₃-norisoprenoid from Lamiophlomis rotata and their effects on NF-κB activation.
AID467895Antiviral 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 after 72 hrs by luciferase reporter gene assay in presence of beta-glucosidase enzyme for 0.5 h2009Journal of natural products, Dec, Volume: 72, Issue:12
Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.
AID977599Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID467896Antiviral 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 after 72 hrs by luciferase reporter gene assay in presence of beta-glucosidase enzyme for 4 hrs2009Journal of natural products, Dec, Volume: 72, Issue:12
Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1745855NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
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.
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.
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.
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.
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.
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.
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (154)

TimeframeStudies, This Drug (%)All Drugs %
pre-19902 (1.30)18.7374
1990's3 (1.95)18.2507
2000's34 (22.08)29.6817
2010's71 (46.10)24.3611
2020's44 (28.57)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%
Reviews3 (1.92%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other153 (98.08%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
cornin iridoid[no description available]medium20terpene glycoside
loganic acid[no description available]high130alpha,beta-unsaturated monocarboxylic acid;
cyclopentapyran;
glucoside		plant metabolite
aucubin[no description available]medium50organic molecular entitymetabolite
geniposide[no description available]medium30terpene glycoside
agnuside[no description available]high20benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside		anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent
genipin[no description available]high10iridoid monoterpenoidanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cross-linking reagent;
hepatotoxic agent;
uncoupling protein inhibitor
harpagoside[no description available]medium10terpene glycoside
Shanzhiside methyl ester[no description available]medium20glycoside;
iridoid monoterpenoid
lamalbid[no description available]medium20
8-o-acetyl shanzhiside methyl ester[no description available]medium20
sesamoside[no description available]medium10
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
catalpol[no description available]medium20organic molecular entitymetabolite
6-o-veratroyl catalpol[no description available]medium10
geniposidic acid[no description available]medium30terpene glycoside
sweroside[no description available]medium100glycoside
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
oleuropein aglycone[no description available]high10catechols;
diester;
lactol;
methyl ester;
pyrans;
secoiridoid		anti-inflammatory agent;
antioxidant;
mTOR inhibitor;
neuroprotective agent;
plant metabolite;
TRPA1 channel agonist
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]medium10monohydroxybenzoic 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]medium10dialdehydecross-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]medium20C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
lysine[no description available]medium20aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
phenylethyl alcohol[no description available]medium10benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
zoxazolamine[no description available]medium10benzoxazole
cycloheximide[no description available]high10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
ficusin[no description available]medium20psoralensplant metabolite
tubercidin[no description available]medium10antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial 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
gramine[no description available]medium10aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
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
cepharanthine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
aloe emodin[no description available]medium10aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
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
osthol[no description available]medium10botanical anti-fungal agent;
coumarins		metabolite
flavanone[no description available]medium10flavanones
phloretic acid[no description available]medium10hydroxy monocarboxylic acidplant metabolite
oleanolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
angelicin[no description available]medium20furanocoumarin
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
betulinic acid[no description available]medium10hydroxy 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
arctigenin[no description available]medium10lignan
baicalin[no description available]high10dihydroxyflavone;
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
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
epigallocatechin gallate[no description available]medium10flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
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
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
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
bergenin[no description available]medium10trihydroxybenzoic acidmetabolite
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
honokiol[no description available]medium10biphenyls
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
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
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]medium10dihydroxy 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
daidzin[no description available]high207-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite
sophocarpine[no description available]medium10
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
elacridar[no description available]medium10
celastrol[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium10leucine derivative
vadimezan[no description available]medium10monocarboxylic acid;
xanthones		antineoplastic agent
e 64[no description available]medium10dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor
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
tanshinone ii a[no description available]medium10abietane diterpenoid
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
limonin[no description available]medium10epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
scutellarin[no description available]medium10glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
chelidonine[no description available]medium10alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
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
arbutin[no description available]high10beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
quinidine[no description available]medium10cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
conessine[no description available]medium10steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
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
resveratrol[no description available]medium10resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
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
L-cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) 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
shikonin[no description available]medium20hydroxy-1,4-naphthoquinone
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
isoferulic acid[no description available]medium10ferulic acidsantioxidant;
biomarker;
metabolite
cyclouridine[no description available]medium10
curcumin[no description available]medium10aromatic 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
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
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
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]high20beta-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
baicalein[no description available]medium10trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
genkwanin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		metabolite
hyperoside[no description available]high10beta-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
3-methylquercetin[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
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]medium50catechols;
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]high10beta-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
solanesol[no description available]medium10nonaprenol;
primary alcohol		plant metabolite
pepstatin[no description available]medium10pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
l 685458[no description available]high10carbamate 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]medium20
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
(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
bicyclol[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]medium10aminopyrimidine;
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]high10dibenzoazepine;
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
Dihydrotanshinone I[no description available]medium10abietane diterpenoidanticoronaviral agent
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
iridoids[no description available]medium1320
niacinamide[no description available]medium10pyridine 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
dinoprostone[no description available]medium30prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
camptothecin[no description available]medium10delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
glycosides[no description available]medium280
sucrose[no description available]medium20glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
7-deoxyloganic acid[no description available]high20alpha,beta-unsaturated monocarboxylic acid;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
monoterpene glycoside		plant metabolite
glucose, (beta-d)-isomer[no description available]medium320D-glucopyranoseepitope;
mouse metabolite
acebutolol[no description available]medium10alpha-D-glucosyl-(1->4)-D-mannopyranose
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
morroniside[no description available]medium220
catalpol[no description available]medium50
warfarin[no description available]medium20benzenes;
hydroxycoumarin;
methyl ketone
schizandrin b[no description available]medium10
schizandrol b[no description available]medium10tannin
lignans[no description available]medium10
liquiritigenin[no description available]medium104',7-dihydroxyflavanonehormone agonist;
plant metabolite
nodakenin[no description available]medium10furanocoumarin
puerarin[no description available]medium10C-glycosyl compound;
isoflavonoid
decursin[no description available]medium10coumarins
glycyrrhizic acid[no description available]medium10enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin		EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite
schizandrin[no description available]medium10
uric acid[no description available]medium10uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
beta-escin[no description available]medium20
quinic acid[no description available]medium20
chlorogenic acid[no description available]medium60cinnamate ester;
tannin		food component;
plant metabolite
akebia saponin d[no description available]medium10
secoxyloganin[no description available]high70beta-D-glucoside;
dicarboxylic acid monoester;
enoate ester;
methyl ester;
monosaccharide derivative;
pyrans;
secoiridoid glycoside		anti-allergic agent;
antioxidant;
plant metabolite
secologanin[no description available]high70aldehyde;
beta-D-glucoside;
enoate ester;
methyl ester;
pyrans;
secoiridoid glycoside		plant metabolite
methyl chlorogenate[no description available]medium10quinic acid
brucine[no description available]medium10monoterpenoid indole alkaloid;
organic heteroheptacyclic compound
strychnine[no description available]medium20monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
gentiopicroside[no description available]medium20glycoside
peoniflorin[no description available]medium60
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
benzylaminopurine[no description available]medium106-aminopurinescytokinin;
plant metabolite
1-naphthaleneacetic acid[no description available]medium10naphthylacetic acidsynthetic auxin
kinetin[no description available]medium106-aminopurines;
furans		cytokinin;
geroprotector
2,4-dichlorophenoxyacetic acid[no description available]medium20chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
mitragynine[no description available]medium10monoterpenoid indole alkaloid
tryptophan[no description available]medium20erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
formaldehyde[no description available]medium10aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
exenatide[no description available]medium10
exendin (9-39)[no description available]medium10
e-6-o-p-coumaroyl scandoside methyl ester[no description available]medium10
7-o-galloyl-d-sedoheptulose[no description available]medium20
malondialdehyde[no description available]medium20dialdehydebiomarker
echinacoside[no description available]medium10oligosaccharide
oleuropein[no description available]high20beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside		anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger
ligstroside[no description available]high10beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite
caffeic acid[no description available]medium30caffeic acidgeroprotector;
mouse metabolite
rutin[no description available]medium20disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
inositol[no description available]medium10cyclitol;
hexol
chrysoeriol[no description available]medium10monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite
substance p[no description available]medium10peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent
deuterium[no description available]medium10dihydrogen
ferulic acid[no description available]medium10ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
stilbenes[no description available]medium10stilbene
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
cyclopentane[no description available]medium20cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
tyloxapol[no description available]medium10
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine[no description available]medium10methylpyridines;
phenylpyridine;
tetrahydropyridine		neurotoxin
scopolamine hydrobromide[no description available]medium30
cornuside[no description available]medium20
furaldehyde[no description available]medium20aldehyde;
furans		Maillard reaction product;
metabolite
gallic acid[no description available]medium20trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
5-hydroxymethylfurfural[no description available]medium20arenecarbaldehyde;
furans;
primary alcohol		indicator;
Maillard reaction product
paeonol[no description available]medium60methoxybenzenes;
phenols		metabolite
tryptamine[no description available]medium40aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines		human metabolite;
mouse metabolite;
plant metabolite
n(6)-carboxymethyllysine[no description available]medium10L-lysine derivative;
non-proteinogenic L-alpha-amino acid		antigen
carbene[no description available]medium20carbene;
methanediyl
methane[no description available]medium20alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
cytochrome c-t[no description available]medium10
muramidase[no description available]medium10
scopoletin[no description available]medium10hydroxycoumarinplant growth regulator;
plant metabolite
methanol[no description available]medium20alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
glutamic acid[no description available]medium10glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
manganese[no description available]medium10elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient
strictosidine[no description available]medium10alkaloid ester;
beta-D-glucoside;
indole alkaloid;
methyl ester
naphthoquinones[no description available]medium10
tiletamine hydrochloride[no description available]medium10
xylulose[no description available]medium10xyluloseEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phenyl acetate[no description available]medium10benzenes;
phenyl acetates
geraniol[no description available]medium103,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
raubasine[no description available]medium20yohimban alkaloid
methyl jasmonate[no description available]medium10
acetonitrile[no description available]medium10aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
boric acid[no description available]medium10boric acidsastringent
sodium dodecyl sulfate[no description available]medium10organic sodium saltdetergent;
protein denaturant
8-bromo cyclic adenosine monophosphate[no description available]medium103',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound		antidepressant;
protein kinase agonist
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
carbon monoxide[no description available]medium20carbon 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
nadp[no description available]medium20
miconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
metyrapone[no description available]medium10aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
2,3-dihydroxybenzoic acid[no description available]low00dihydroxybenzoic acidhuman xenobiotic metabolite;
plant metabolite
tartronic acid[no description available]low00dicarboxylic acid;
dicarboxylic fatty acid		plant metabolite
protocatechuic acid[no description available]low00catechols;
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
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
4-hydroxybenzyl alcohol[no description available]low00benzyl alcohols;
phenols		plant metabolite
4-hydroxybenzaldehyde[no description available]low00hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
4-hydroxybenzoic acid[no description available]low00monohydroxybenzoic acidalgal metabolite;
plant metabolite
allantoic acid[no description available]low00ureasmouse metabolite;
plant metabolite
benzaldehyde[no description available]low00benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
benzoic acid[no description available]low00benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
betaine aldehyde[no description available]low00quaternary ammonium ionAspergillus metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
cadaverine[no description available]low00alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
catechol[no description available]low00catecholsallelochemical;
genotoxin;
plant metabolite
choline[no description available]low00cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
cuminol[no description available]low00benzyl alcohols;
p-menthane monoterpenoid		fragrance;
insect repellent;
plant metabolite;
volatile oil component;
xenobiotic metabolite
cuminaldehyde[no description available]low00benzaldehydesinsecticide;
plant metabolite;
volatile oil component
4-vinylguaiacol[no description available]low00phenolsflavouring agent;
pheromone;
plant metabolite
4-methylumbelliferyl acetate[no description available]low00acetate ester;
coumarins		plant metabolite
indoleacetamide[no description available]low00indoles;
monocarboxylic acid amide;
N-acylammonia		bacterial metabolite;
fungal metabolite;
plant metabolite
caprylic aldehyde[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		plant metabolite
n(1)-methylnicotinamide[no description available]low00pyridinium ionalgal metabolite;
anti-inflammatory agent;
human urinary metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
guaiacol[no description available]low00guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
1-aminocyclopropane-1-carboxylic acid[no description available]low00amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid		ethylene releasers;
plant metabolite
3,4-dihydrocoumarin[no description available]low00chromanoneplant metabolite
homogentisic acid[no description available]low00dihydroxyphenylacetic acid;
hydroquinones		human metabolite;
plant metabolite
indoleacetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
indol-3-yl pyruvic acid[no description available]low002-oxo monocarboxylic acid;
indol-3-yl carboxylic acid		plant metabolite;
Saccharomyces cerevisiae metabolite
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
racemethionine[no description available]low00alpha-amino acid;
amino acid zwitterion;
sulfur-containing amino acid		algal metabolite;
Daphnia magna metabolite;
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
n-methylphenylethanolamine[no description available]low00alkaloid;
phenylethanolamines		human metabolite;
plant metabolite
naphthalene[no description available]low00naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
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
1-octanol[no description available]low00octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite
oxalic acid[no description available]low00alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
4-aminobenzoic acid[no description available]low00aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
palmitic acid[no description available]low00long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite
phenylacetic acid[no description available]low00benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
prephenic acid[no description available]low00oxo dicarboxylic acidEscherichia coli metabolite;
plant metabolite
pyridoxamine[no description available]low00aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
pyrogallol[no description available]low00benzenetriol;
phenolic donor		plant metabolite
vanillin[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
aminopropionitrile[no description available]low00aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
meglutol[no description available]low003-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol		anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite
methylbufotenin[no description available]low00aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite
7,8-dihydroxyflavone[no description available]low00dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
anabasine[no description available]low00piperidine alkaloid;
pyridine alkaloid		nicotinic acetylcholine receptor agonist;
plant metabolite;
teratogenic agent
acetovanillone[no description available]low00acetophenones;
aromatic ketone;
methyl ketone		antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
azelaic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
benzyl benzoate[no description available]low00benzoate ester;
benzyl ester		acaricide;
plant metabolite;
scabicide
5-methoxypsoralen[no description available]low005-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one[no description available]low00aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol		allelochemical;
plant metabolite
caffeic acid[no description available]low00catechols;
hydroxycinnamic acid		antioxidant;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
caffeine[no description available]low00purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
beta-glycerophosphoric acid[no description available]low00glycerol monophosphateEscherichia coli metabolite;
plant metabolite
cetyl alcohol[no description available]low00hexadecanol;
long-chain primary fatty alcohol		algal metabolite;
flavouring agent;
human metabolite;
plant metabolite
chrysanthemic acid[no description available]low00cyclopropanes;
monocarboxylic acid		plant metabolite
colchicine, (+-)-isomer[no description available]low00acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound		microtubule-destabilising agent;
plant metabolite
decanoic acid[no description available]low00medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component
benzophenone[no description available]low00benzophenonesphotosensitizing agent;
plant metabolite
ellipticine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
embelin[no description available]low00dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
emodin[no description available]low00trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
guvacine[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		GABA reuptake inhibitor;
plant metabolite
indole-3-carbinol[no description available]low00indolyl alcoholantineoplastic agent;
plant metabolite
indolepropionic acid[no description available]low00indol-3-yl carboxylic acidauxin;
human metabolite;
plant metabolite
beta-lapachone[no description available]low00benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
lauric acid[no description available]low00medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antibacterial agent;
plant metabolite
methoxsalen[no description available]low00aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
masoprocol[no description available]low00catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
phloretin[no description available]low00dihydrochalconesantineoplastic agent;
plant metabolite
4-aminobenzoic acid[no description available]low00aminobenzoate;
aromatic amino-acid anion		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
protopine[no description available]low00dibenzazecine alkaloidplant metabolite
safrole[no description available]low00benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
stearic acid[no description available]low00long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
sulforaphane[no description available]low00isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
theobromine[no description available]low00dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
triacetin[no description available]low00triglycerideadjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent
undecylenic acid[no description available]low00undecenoic acidantifungal drug;
plant metabolite
reserpine[no description available]medium00alkaloid 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
hydroxyproline[no description available]low004-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite
dipropylenetriame[no description available]low00polyazaalkanealgal metabolite;
plant metabolite
vincristine[no description available]medium00acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
levodopa[no description available]low00amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
phlorhizin[no description available]medium00aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite
leucine[no description available]low00amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
phenylalanine[no description available]low00amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
asparagine[no description available]low00amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
n-pentanol[no description available]low00pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite
threonine[no description available]low00amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
alizarin[no description available]low00dihydroxyanthraquinonechromophore;
dye;
plant metabolite
isoleucine[no description available]low00aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
ethane[no description available]low00alkane;
gas molecular entity		plant metabolite;
refrigerant
gibberellic acid[no description available]low00C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite
isophorone[no description available]low00cyclic ketone;
enone		plant metabolite;
solvent
linalool[no description available]low00monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
isoprene[no description available]low00alkadiene;
hemiterpene;
volatile organic compound		plant metabolite
isobutylamine[no description available]low00alkylaminesplant metabolite
isobutyric acid[no description available]low00branched-chain saturated fatty acid;
fatty acid 4:0;
methyl-branched fatty acid		Daphnia magna metabolite;
plant metabolite;
volatile oil component
camphene[no description available]low00carbobicyclic compound;
monoterpene		fragrance;
plant metabolite
alpha-pinene[no description available]low00pineneplant metabolite
purpurin[no description available]low00trihydroxyanthraquinonebiological pigment;
histological dye;
plant metabolite
visnagin[no description available]low00aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent
2,6-dihydroxyanthraquinone[no description available]low00dihydroxyanthraquinoneantimutagen;
plant metabolite
methyl n-methylanthranilate[no description available]medium00benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline		animal metabolite;
fungal metabolite;
plant metabolite
2-furoic acid[no description available]low00furoic acidbacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite
piperitone[no description available]low00cyclic terpene ketone;
p-menthane monoterpenoid		plant metabolite;
volatile oil component
resacetophenone[no description available]low00dihydroxyacetophenone;
resorcinols		plant metabolite
salicylaldehyde[no description available]low00hydroxybenzaldehydenematicide;
plant metabolite
1-methylnaphthalene[no description available]low00methylnaphthalenecarcinogenic agent;
plant metabolite
pseudoephedrine[no description available]medium00phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
pyrogallol 1,3-dimethyl ether[no description available]low00dimethoxybenzene;
phenols		plant metabolite
veratrole[no description available]low00dimethoxybenzeneplant metabolite
isatin[no description available]low00indoledioneEC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
phenothiazine[no description available]low00phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
veratric acid[no description available]low00benzoic acidsallergen;
plant metabolite
synephrine[no description available]low00ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
piperonylic acid[no description available]low00aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary
benzothiazole[no description available]low00benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
2-methylbutanal[no description available]low002-methyl-branched fatty aldehyde;
methylbutanal		plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component
methylcyclopentane[no description available]low00cycloalkane;
volatile organic compound		human metabolite;
plant metabolite
phosphoribosyl pyrophosphate[no description available]low005-O-phosphono-D-ribofuranosyl diphosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
2-methylvaleric acid[no description available]low00branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid		flavouring agent;
fragrance;
plant metabolite
ethyl 2-methylpropanoate[no description available]low00fatty acid ethyl esterplant metabolite
3-hydroxybenzoic acid[no description available]low00monohydroxybenzoic acidbacterial metabolite;
plant metabolite
carveol[no description available]low00limonene monoterpenoidplant metabolite;
volatile oil component
methylparaben[no description available]low00parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
alpha phellandrene[no description available]low00cyclohexadiene;
phellandrene		antimicrobial agent;
plant metabolite;
volatile oil component
gamma-terpinene[no description available]low00cyclohexadiene;
monoterpene		antioxidant;
human xenobiotic metabolite;
plant metabolite;
volatile oil component
alpha-terpinene[no description available]low00cyclohexadiene;
monoterpene		plant metabolite;
volatile oil component
4-cymene[no description available]low00monoterpene;
toluenes		human urinary metabolite;
plant metabolite;
volatile oil component
4-hydroxyacetophenone[no description available]low00monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
4-anisic acid[no description available]low00methoxybenzoic acidplant metabolite
styrene[no description available]low00styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
benzylamine[no description available]low00aralkylamine;
primary amine		allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite
anisole[no description available]low00monomethoxybenzeneplant metabolite
phenyl ether[no description available]low00aromatic etherplant metabolite
1,3-diphenylurea[no description available]low00phenylureascytokinin;
plant metabolite
3-phenylpropanal[no description available]low00aldehyde;
benzenes		flavouring agent;
plant metabolite
2-ethylhexanol[no description available]low00primary alcoholplant metabolite;
volatile oil component
4-methylbenzaldehyde[no description available]low00tolualdehydeplant metabolite
ethyl butyrate[no description available]low00butyrate esterplant metabolite
12-hydroxy stearic acid[no description available]medium00hydroxyoctadecanoic acid;
secondary alcohol		bacterial xenobiotic metabolite;
plant metabolite
methyl caproate[no description available]low00fatty acid methyl ester;
hexanoate ester		flavouring agent;
plant metabolite
propanethiol[no description available]low00alkanethiolplant metabolite
allyl alcohol[no description available]low00primary allylic alcohol;
propenol		antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
isoamylamine[no description available]low00primary aliphatic aminebacterial metabolite;
plant metabolite
2-pentanone[no description available]low00methyl ketone;
pentanone		plant metabolite
methylcyclohexane[no description available]low00cycloalkane;
volatile organic compound		aprotic solvent;
human metabolite;
plant metabolite
n-pentanoic acid[no description available]low00short-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
propyl acetate[no description available]low00acetate esterfragrance;
plant metabolite
allyl cyanide[no description available]low00aliphatic nitrile;
olefinic compound		antifeedant;
neurotoxin;
plant metabolite
ethyl formate[no description available]low00ethyl ester;
formate ester		fumigant;
plant metabolite
pentanal[no description available]low00saturated fatty aldehydeplant metabolite
piperidine[no description available]low00azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
heptanoic acid[no description available]low00medium-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
1-hexanol[no description available]low00hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
ethyl stearate[no description available]low00long-chain fatty acid ethyl ester;
octadecanoate ester		plant metabolite
heptanol[no description available]low00heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
nonane[no description available]low00alkaneplant metabolite;
volatile oil component
pelargonic acid[no description available]low00medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite
undecan-2-one[no description available]low00dialkyl ketone;
methyl ketone		plant metabolite;
rodenticide
octyl acetate[no description available]low00acetate esterplant metabolite
decanaldehyde[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		antifungal agent;
fragrance;
plant metabolite
n-dodecane[no description available]low00alkaneplant metabolite
undecan-1-ol[no description available]low00primary alcohol;
undecanol		flavouring agent;
plant metabolite
undecanal[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		antimycobacterial drug;
plant metabolite;
volatile oil component
dodecanol[no description available]low00dodecanol;
primary alcohol		bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite
1-tridecanol[no description available]low00long-chain primary fatty alcohol;
tridecanol		bacterial metabolite;
human metabolite;
plant metabolite
myristyl alcohol[no description available]low00long-chain primary fatty alcohol;
tetradecanol		pheromone;
plant metabolite;
volatile oil component
behenic acid[no description available]low00long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
stearyl alcohol[no description available]low00long-chain primary fatty alcohol;
octadecanol		algal metabolite;
human metabolite;
plant metabolite
eicosane[no description available]low00long-chain alkaneplant metabolite
3-hydroxy-3-methylbutene[no description available]low00olefinic compound;
tertiary alcohol		animal metabolite;
fragrance;
pheromone;
plant metabolite
3,4,5-trimethoxybenzoic acid[no description available]low00benzoic acids;
methoxybenzenes		human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
2-chlorobenzoic acid[no description available]low002-halobenzoic acid;
monochlorobenzoic acid		plant hormone;
plant metabolite
scoparone[no description available]low00aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
dimethoxyphenylethylamine[no description available]low00alkaloid;
aromatic ether;
phenylethylamine		allergen;
plant metabolite
ethyl-p-hydroxybenzoate[no description available]low00ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
piperonal[no description available]low00arenecarbaldehyde;
benzodioxoles		fragrance;
insect repellent;
plant metabolite
vanillic acid[no description available]low00methoxybenzoic acid;
monohydroxybenzoic acid		plant metabolite
peucedanin[no description available]low00aromatic ether;
furanocoumarin;
lactone		plant metabolite
indolebutyric acid[no description available]low00indol-3-yl carboxylic acidauxin;
plant hormone;
plant metabolite
syringaldehyde[no description available]low00dimethoxybenzene;
hydroxybenzaldehyde		hypoglycemic agent;
plant metabolite
2-aminothiophenol[no description available]low00aryl thiol;
substituted aniline		plant metabolite
shikimic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
estragole[no description available]low00alkenylbenzene;
monomethoxybenzene;
phenylpropanoid		carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite
citronellol[no description available]low00monoterpenoidplant metabolite
ethyl acetoacetate[no description available]low00ethyl esterantibacterial agent;
flavouring agent;
plant metabolite
2-hydroxypyridine[no description available]low00monohydroxypyridineplant metabolite
hexanoic acid[no description available]low00medium-chain fatty acid;
straight-chain saturated fatty acid		human metabolite;
plant metabolite
n-heptane[no description available]low00alkane;
volatile organic compound		non-polar solvent;
plant metabolite
1-nonanol[no description available]low00nonanol;
primary alcohol		antifungal agent;
flavouring agent;
plant metabolite;
volatile oil component
2-vanillin[no description available]low00benzaldehydes;
guaiacols		antimutagen;
plant metabolite
citronellyl acetate[no description available]low00acetate ester;
monoterpenoid		plant metabolite
chrysene[no description available]low00ortho-fused polycyclic areneplant metabolite
azulene[no description available]low00azulenes;
mancude carbobicyclic parent;
ortho-fused bicyclic arene		plant metabolite;
volatile oil component
ephedrine[no description available]low00phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
pseudoephedrine hydrochloride[no description available]low00hydrochlorideplant metabolite
galantamine[no description available]low00benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
citrulline[no description available]low00amino acid zwitterion;
citrulline		Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
4-methylcatechol[no description available]low00methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
beta-erythroidine[no description available]low00delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		muscle relaxant;
plant metabolite
glycyrrhetinic acid[no description available]low00cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
pinane[no description available]low00carbobicyclic compound;
monoterpene;
terpenoid fundamental parent		plant metabolite
naphthazarin[no description available]low00hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
reticulin[no description available]low00benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol		plant metabolite
cytisine[no description available]low00alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
indole-3-carbaldehyde[no description available]low00heteroarenecarbaldehyde;
indole alkaloid;
indoles		bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite
thymoquinone[no description available]low001,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
phenylpropanolamine[no description available]low00amphetamines;
phenethylamine alkaloid		plant metabolite
4-hydroxyphenylethanol[no description available]low00phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
citronellic acid[no description available]low00medium-chain fatty acid;
monoterpenoid;
monounsaturated fatty acid		flavouring agent;
plant metabolite
isovaleric acid[no description available]low00branched-chain saturated fatty acid;
methylbutyric acid;
short-chain fatty acid		mammalian metabolite;
plant metabolite
iberin[no description available]low00isothiocyanate;
sulfoxide		apoptosis inducer;
plant metabolite;
quorum sensing inhibitor
16-hydroxypalmitic acid[no description available]low00hydroxypalmitic acid;
omega-hydroxy-long-chain fatty acid		plant metabolite
arachidic acid[no description available]low00long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
octacosanoic acid[no description available]low00straight-chain saturated fatty acid;
ultra-long-chain fatty acid		plant metabolite
ascaridole[no description available]low00organic heterobicyclic compound;
organic peroxide;
p-menthane monoterpenoid		antileishmanial agent;
antinematodal drug;
plant metabolite
abietic acid[no description available]low00abietane diterpenoid;
monocarboxylic acid		plant metabolite
hematoxylin[no description available]low00organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol		histological dye;
plant metabolite
podophyllotoxin[no description available]low00furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
pyridoxamine dihydrochloride[no description available]low00hydrochloride;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
tryptophol[no description available]low00indolyl alcoholauxin;
plant metabolite;
Saccharomyces cerevisiae metabolite
hemimellitene[no description available]low00trimethylbenzeneneurotoxin;
plant metabolite
2-methylbenzaldehyde[no description available]low00tolualdehydeplant metabolite
syringic acid[no description available]low00benzoic acids;
dimethoxybenzene;
phenols		plant metabolite
6-methoxybenzoxazolinone[no description available]low00aromatic ether;
benzoxazole		antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite
1,1-dimethoxyethane[no description available]low00acetal;
diether		flavouring agent;
plant metabolite
2-methylfuran[no description available]low00furans;
volatile organic compound		flavouring agent;
fuel;
hepatotoxic agent;
human urinary metabolite;
plant metabolite
perillyl alcohol[no description available]low00limonene monoterpenoidplant metabolite;
volatile oil component
cumic acid[no description available]low00cumic acidplant metabolite
tricaprylin[no description available]low00octanoate ester;
triglyceride		anticonvulsant;
plant metabolite
senecioic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monounsaturated fatty acid;
short-chain fatty acid		plant metabolite
3-hexen-1-ol[no description available]low00alkenyl alcohol;
homoallylic alcohol;
primary alcohol;
volatile organic compound		plant metabolite
n-hexadecane[no description available]low00long-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
beta-phellandrene[no description available]low00phellandreneplant metabolite
tristearin[no description available]low00triacylglycerol 54:0Caenorhabditis elegans metabolite;
plant metabolite
lignoceric acid[no description available]low00straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol[no description available]low00terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component
6-methylsalicylic acid[no description available]low00monohydroxybenzoic acidPenicillium metabolite;
plant metabolite
1-phenyl-1,2-propanedione[no description available]low00alpha-diketone;
aromatic ketone		plant metabolite
2-methylcyclohexanone[no description available]low00cyclohexanonesflavouring agent;
plant metabolite
terpinolene[no description available]low00p-menthadieneinsect repellent;
plant metabolite;
sedative;
volatile oil component
isovalerylaldehyde[no description available]low00methylbutanalflavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component
levulinic acid[no description available]low00oxopentanoic acid;
straight-chain saturated fatty acid		plant metabolite
2-tridecanone[no description available]low00methyl ketoneflavouring agent;
plant metabolite
octadecane[no description available]low00long-chain alkanebacterial metabolite;
plant metabolite
dimethylselenide[no description available]low00organoselenium compoundbacterial xenobiotic metabolite;
plant metabolite
chorismic acid[no description available]low005-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acidEscherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2-methyl-5-(1-methylethenyl)cyclohexanol[no description available]medium00p-menthane monoterpenoid;
secondary alcohol		acaricide;
plant metabolite;
volatile oil component
4-carboxybenzaladehyde[no description available]low00benzaldehydes;
benzoic acids;
monocarboxylic acid		plant metabolite
3-methylbenzaldehyde[no description available]low00tolualdehydeplant metabolite
isovanillin[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite
2,5-dimethylfuran[no description available]low00furansantifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite
2-hexanol[no description available]medium00hexanol;
secondary alcohol		human metabolite;
plant metabolite;
semiochemical
ethyl palmitate[no description available]low00hexadecanoate ester;
long-chain fatty acid ethyl ester		plant metabolite
2-nonanol[no description available]medium00nonanol;
secondary alcohol		bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite;
rat metabolite;
volatile oil component
n-propyl disulfide[no description available]low00organic disulfideplant metabolite
tridecane[no description available]low00long-chain alkaneplant metabolite;
volatile oil component
n-tetradecane[no description available]low00long-chain alkaneplant metabolite;
volatile oil component
pentadecane[no description available]low00long-chain alkaneanimal metabolite;
plant metabolite;
volatile oil component
heptadecane[no description available]low00long-chain alkaneplant metabolite;
volatile oil component
nonadecane[no description available]low00long-chain alkaneplant metabolite;
volatile oil component
n-heneicosane[no description available]low00long-chain alkanepheromone;
plant metabolite;
volatile oil component
docosane[no description available]low00long-chain alkaneplant metabolite
octacosane[no description available]low00long-chain alkaneplant metabolite
nonacosane[no description available]low00long-chain alkaneplant metabolite;
volatile oil component
bulbocapnine[no description available]low00aporphine alkaloid;
aromatic ether;
oxacycle;
phenols		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite
1,2,3-trimethoxybenzene[no description available]low00methoxybenzenesplant metabolite
2-pyrrolecarboxylic acid[no description available]low00pyrrolecarboxylic acidplant metabolite
tridecanoic acid[no description available]low00long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
n-tricosane[no description available]low00long-chain alkaneplant metabolite;
volatile oil component
2-propylphenol[no description available]low00phenolsflavouring agent;
plant metabolite
isovanillic acid[no description available]low00methoxybenzoic acid;
monohydroxybenzoic acid		antibacterial agent;
plant metabolite
tetracosane[no description available]low00long-chain alkaneplant metabolite;
volatile oil component
docosanol[no description available]low00docosanol;
long-chain primary fatty alcohol		antiviral drug;
plant metabolite
2-methylpyrrolidine[no description available]low00pyrrolidinesplant metabolite
2-nonanone[no description available]low00methyl ketoneplant metabolite
ethyl gallate[no description available]low00gallate esterplant metabolite
3-methylfuran[no description available]low00furans;
volatile organic compound		Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite
pentadecanoic acid[no description available]low00long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
food component;
human blood serum metabolite;
plant metabolite
dihydroferulic acid[no description available]low00guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
fenchone, (+-)-isomer[no description available]low00carbobicyclic compound;
cyclic terpene ketone;
fenchane monoterpenoid		plant metabolite
beta-pinene[no description available]low00pineneplant metabolite
d-alpha tocopherol[no description available]low00alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
selenomethionine[no description available]low00selenoamino acid;
selenomethionines		plant metabolite
1-pentene-3-one[no description available]low00enoneflavouring agent;
genotoxin;
human metabolite;
plant metabolite
dodecyldimethylamine oxide[no description available]low00tertiary amine oxidedetergent;
plant metabolite
2-undecanol[no description available]medium00secondary alcohol;
undecanol		animal metabolite;
flavouring agent;
pheromone;
plant metabolite;
volatile oil component
digoxigenin[no description available]low0012beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol		hapten;
plant metabolite
heliamine[no description available]low00aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines		plant metabolite
6h-dibenzo-(b,d)-pyran-6-one[no description available]low00benzochromenoneplant metabolite
diallyl disulfide[no description available]low00organic disulfideantifungal agent;
antineoplastic agent;
plant metabolite
glaucine[no description available]low00aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite
dihydroconiferyl alcohol[no description available]low00eugenol;
primary alcohol		plant metabolite
propyl benzoate[no description available]low00benzoate esterantimicrobial food preservative;
flavouring agent;
plant metabolite
2-methoxy-1,4-naphthoquinone[no description available]low001,4-naphthoquinones;
enol ether		antimicrobial agent;
metabolite;
plant metabolite
tricosanoic acid[no description available]low00straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia magna metabolite;
human metabolite;
plant metabolite
alpha-terpineol[no description available]low00terpineolplant metabolite
acetosyringone[no description available]low00acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
pentadecanal[no description available]low002,3-saturated fatty aldehyde;
long-chain fatty aldehyde		antimicrobial agent;
plant metabolite;
volatile oil component
2-ethylfuran[no description available]low00furans;
volatile organic compound		bacterial metabolite;
fragrance;
Maillard reaction product;
plant metabolite
sabinene[no description available]low00thujeneplant metabolite
palmatine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound		plant metabolite
n-butylbenzenesulfonamide[no description available]low00sulfonamideneurotoxin;
plant metabolite
furaneol[no description available]low00cyclic ketone;
enol;
furans		flavouring agent;
fragrance;
plant metabolite
methyl vanillate[no description available]low00aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite
2-octanol[no description available]medium00octanol;
secondary alcohol		plant metabolite;
volatile oil component
5-methoxyindole-2-carboxylic acid[no description available]low00aromatic ether;
indolecarboxylic acid		EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite
canadine, (s)-isomer[no description available]low00an (S)-7,8,13,14-tetrahydroprotoberberine;
canadine		plant metabolite
14-methylhexadecanoic acid[no description available]low00branched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid		mammalian metabolite;
plant metabolite
helenalin[no description available]medium00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite
dimethyldiselenide[no description available]low00organoselenium compoundbacterial metabolite;
human xenobiotic metabolite;
mammalian metabolite;
plant metabolite
isopentenyladenosine[no description available]low00N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite
s-methylcysteine[no description available]low00S-alkyl-L-cysteine zwitterion;
S-alkyl-L-cysteine		human urinary metabolite;
plant metabolite
dihydrocarvone[no description available]low00dihydrocarvonesplant metabolite
marmesin, (r)-isomer[no description available]low00marmesinplant metabolite;
rat metabolite;
xenobiotic metabolite
4-hydroxybenzylcyanide[no description available]low00hydroxynitrileplant metabolite
2,3,5-trimethylpyrazine[no description available]low00pyrazinesanimal metabolite;
bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite
tetradecanoylphorbol acetate[no description available]low00acetate 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
2,4-dihydroxy-1,4-benzoxazin-3-one[no description available]low00benzoxazine;
cyclic hydroxamic acid;
lactol		allelochemical;
herbicide;
phytotoxin;
plant metabolite
precocene i[no description available]low00aromatic ether;
chromenes		plant metabolite;
precocenes
1-deoxynojirimycin[no description available]low002-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid		anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite
neohesperidin dihydrochalcone[no description available]low00dihydrochalcones;
disaccharide derivative;
neohesperidoside		environmental contaminant;
plant metabolite;
sweetening agent;
xenobiotic
zingerone[no description available]low00methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
4-anisaldehyde[no description available]low00benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
myrcene[no description available]low00monoterpeneanabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component
diacetone alcohol[no description available]low00beta-hydroxy ketoneplant metabolite
methyl tetradecanoate[no description available]low00fatty acid methyl esterflavouring agent;
fragrance;
plant metabolite
nonanal[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		human metabolite;
plant metabolite
tetradecanal[no description available]low002,3-saturated fatty aldehyde;
long-chain fatty aldehyde		bacterial metabolite;
plant metabolite
silybin[no description available]low00aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
oxypeucadanin, (s)-(-)-isomer[no description available]low00epoxide;
furanocoumarin;
lactone		plant metabolite
amygdalin[no description available]low00cyanogenic glycoside;
disaccharide derivative;
gentiobioside		plant metabolite
colforsin[no description available]low00acetate 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]low00indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
vanillyl alcohol[no description available]low00benzyl alcohols;
guaiacols		plant metabolite
allyl methyl disulfide[no description available]low00organic disulfideplant metabolite;
volatile oil component
octyl glucoside[no description available]medium00beta-D-glucosideplant metabolite
dihydrochalcone[no description available]low00dihydrochalconesplant metabolite
ursolic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
calanolide a[no description available]medium00cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite
aica ribonucleotide[no description available]low001-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole		cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
salvin[no description available]low00abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
obtusifoliol[no description available]low0014alpha-methyl steroid;
3beta-sterol		mouse metabolite;
plant metabolite
baccatin iii[no description available]low00acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite
secoisolariciresinol[no description available]low00secoisolariciresinolantidepressant;
phytoestrogen;
plant metabolite
solanidine[no description available]low003beta-hydroxy-Delta(5)-steroid;
solanid-5-en-3-ol;
steroid alkaloid fundamental parent		plant metabolite;
toxin
valerophenone[no description available]low00aromatic ketoneplant metabolite;
volatile oil component
2,4,6-trihydroxyacetophenone[no description available]low00aromatic ketone;
benzenetriol;
methyl ketone		MALDI matrix material;
plant metabolite
tangeretin[no description available]low00pentamethoxyflavoneantineoplastic agent;
plant metabolite
djenkolic acid[no description available]low00dithioacetal;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid		plant metabolite;
toxin
1-hexacosanol[no description available]low00hexacosanol;
very long-chain primary fatty alcohol		insecticide;
plant metabolite
actinidine[no description available]low00cyclopentapyridine;
pyridine alkaloid		pheromone;
plant metabolite
7-methylxanthine[no description available]low00oxopurine;
purine alkaloid		human xenobiotic metabolite;
mouse metabolite;
plant metabolite
1-octacosanol[no description available]low00fatty alcohol 28:0;
ultra-long-chain primary fatty alcohol		plant metabolite
suberosin[no description available]low00aromatic ether;
coumarins		anticoagulant;
plant metabolite
isoscopoletin[no description available]low00aromatic ether;
hydroxycoumarin		plant metabolite
methyl syringate[no description available]low00benzoate ester;
dimethoxybenzene;
phenols		plant metabolite
gallocatechol[no description available]low00catechin;
flavan-3,3',4',5,5',7-hexol		antioxidant;
food component;
plant metabolite
hesperetin[no description available]low003'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite
sesamin[no description available]low00benzodioxoles;
furofuran;
lignan		antineoplastic agent;
neuroprotective agent;
plant metabolite
tetrahydroalstonine[no description available]medium00methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid		plant metabolite
picropodophyllin[no description available]low00furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
alantolactone[no description available]low00naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
vexibinol[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone		antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite
kaurenoic acid[no description available]low00ent-kaurane diterpenoidanti-HIV-1 agent;
antineoplastic agent;
plant metabolite
beta-amyrin[no description available]medium00pentacyclic triterpenoid;
secondary alcohol		Aspergillus metabolite;
plant metabolite
pinostrobin[no description available]low00monohydroxyflavanone;
monomethoxyflavanone		antidote;
plant metabolite
xanthomicrol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
voacamine[no description available]medium00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite
isoalantolactone[no description available]low00eudesmane sesquiterpenoid;
sesquiterpene lactone		antifungal agent;
apoptosis inducer;
plant metabolite
pulsatilla saponin a[no description available]low00disaccharide derivative;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
hederagenin[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin		plant metabolite
magnoflorine[no description available]low00aporphine alkaloid;
quaternary ammonium ion		plant metabolite
brazilin[no description available]low00catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite
strychnine n-oxide[no description available]low00monoterpenoid indole alkaloid;
organic heteroheptacyclic compound;
tertiary amine oxide		plant metabolite
pinoresinol[no description available]low00pinoresinolhypoglycemic agent;
phytoestrogen;
plant metabolite
dauricine[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite
madecassic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite
uvaretin[no description available]low00aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite
sakuranetin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavonoid phytoalexin;
monomethoxyflavanone		antimycobacterial drug;
plant metabolite
indole-5-carboxylic acid[no description available]low00indolecarboxylic acidplant metabolite
1,3,7,9-tetramethyluric acid[no description available]low00oxopurine;
purine alkaloid		analgesic;
anti-inflammatory agent;
human xenobiotic metabolite;
plant metabolite
phenylalanylleucine[no description available]low00dipeptide zwitterion;
dipeptide		plant metabolite
ethyl protocatechuate[no description available]low00catechols;
ethyl ester		antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite
3,5-dimethoxytoluene[no description available]low00methoxybenzenes;
toluenes		fragrance;
plant metabolite
methylthioethanol[no description available]low00aliphatic sulfide;
primary alcohol		plant metabolite;
xenobiotic metabolite
cryptolepine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
alpha-bergamotene[no description available]low00bridged compound;
polycyclic olefin;
sesquiterpene		plant metabolite;
volatile oil component
4-methyl-4-sulfanylpentan-2-one[no description available]low00alkanethiol;
methyl ketone		plant metabolite;
Saccharomyces cerevisiae metabolite
5,7-dimethoxyflavone[no description available]low00dimethoxyflavoneplant metabolite
nicotine[no description available]low003-(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
friedelin[no description available]low00cyclic terpene ketone;
pentacyclic triterpenoid		anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite
cholest-4-en-3-one[no description available]low003-oxo-Delta(4) steroid;
cholestanoid		human metabolite;
plant metabolite
delta-tocopherol[no description available]low00tocopherol;
vitamin E		food antioxidant;
plant metabolite
cycloartenol[no description available]low003beta-sterol;
pentacyclic triterpenoid;
phytosterols		plant metabolite
beta-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
elemol[no description available]low00olefinic compound;
sesquiterpenoid;
tertiary alcohol		fragrance;
plant metabolite
spathulenol[no description available]low00carbotricyclic compound;
olefinic compound;
sesquiterpenoid;
tertiary alcohol		anaesthetic;
plant metabolite;
vasodilator agent;
volatile oil component
mor-14[no description available]low00hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
vestitol[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		anti-inflammatory agent;
phytoalexin;
plant metabolite
gamma-tocopherol[no description available]low00tocopherol;
vitamin E		algal metabolite;
food antioxidant;
plant metabolite
orotidine[no description available]low00nucleoside;
pyrimidinemonocarboxylic acid;
uridines		bacterial metabolite;
fungal metabolite;
plant metabolite
sugiol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger
erythrose[no description available]low00erythroseplant metabolite
24-methylene cycloartanol[no description available]low003beta-hydroxy steroid;
pentacyclic triterpenoid		plant metabolite
panose[no description available]low00trisaccharideplant metabolite
bursehernin[no description available]low00aromatic ether;
benzodioxoles;
butan-4-olide;
lignan		plant metabolite
sesaminol[no description available]low00benzodioxoles;
furofuran;
organic hydroxy compound		antioxidant;
plant metabolite
4',5,6,7-tetramethoxyflavone[no description available]low00tetramethoxyflavoneantimutagen;
plant metabolite
gardenin b[no description available]low00monohydroxyflavone;
tetramethoxyflavone		plant metabolite
quercetin 5,7,3',4'-tetramethyl ether[no description available]low00flavonols;
tetramethoxyflavone		plant metabolite
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid[no description available]low00alpha-amino acid;
aromatic amino acid;
beta-carboline alkaloid		human urinary metabolite;
human xenobiotic metabolite;
plant metabolite;
rat metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer[no description available]low00sapogeningout suppressant;
plant metabolite
syringaresinol[no description available]low00aromatic ether;
furofuran;
lignan;
polyether;
polyphenol		plant metabolite
cyclolaudenol[no description available]low003beta-hydroxy steroid;
pentacyclic triterpenoid		plant metabolite
galgravin[no description available]low00aryltetrahydrofuran;
dimethoxybenzene;
lignan;
ring assembly		bone density conservation agent;
neuroprotective agent;
plant metabolite;
platelet aggregation inhibitor
erythrodiol[no description available]medium00diol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol		plant metabolite
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol[no description available]medium00carbobicyclic compound;
pinane monoterpenoid;
secondary alcohol		GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component
selenomethionine[no description available]low00amino acid zwitterion;
selenomethionine		plant metabolite
deguelin[no description available]low00aromatic 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
1,9-dideoxyforskolin[no description available]low00acetate ester;
labdane diterpenoid;
organic heterotricyclic compound		plant metabolite
triptolide[no description available]low00diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite
indospicine[no description available]low00carboxamidine;
non-proteinogenic L-alpha-amino acid		hepatotoxic agent;
plant metabolite
cafestol[no description available]low00diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite
nimbin[no description available]medium00acetate ester;
cyclic terpene ketone;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid		pesticide;
plant metabolite
neoeriocitrin[no description available]low004'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
neohesperidoside;
trihydroxyflavanone		plant metabolite
kahweol[no description available]low00diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
valerates[no description available]low00short-chain fatty acid anion;
straight-chain saturated fatty acid anion		plant metabolite
s-sulphocysteine[no description available]low00organic thiosulfate;
S-substituted L-cysteine		human metabolite;
plant metabolite
megestrol acetate[no description available]medium00bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol		GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite
echinuline[no description available]low002,5-diketopiperazines;
indole alkaloid;
indoles;
olefinic compound		Aspergillus metabolite;
marine metabolite;
plant metabolite
cubebin[no description available]medium00benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol		analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug
1'-acetoxychavicol acetate[no description available]low00acetate ester;
phenylpropanoid		antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite
hydrangenol[no description available]low00dihydroisocoumarins;
phenols		anti-allergic agent;
plant metabolite
matairesinol[no description available]low00gamma-lactone;
lignan;
polyphenol		angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite
astilbin[no description available]medium003'-hydroxyflavanones;
4'-hydroxyflavanones;
alpha-L-rhamnoside;
flavanone glycoside;
monosaccharide derivative;
tetrahydroxyflavanone		anti-inflammatory agent;
plant metabolite;
radical scavenger
ginsenoside rh2[no description available]medium0012beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite
mannopine[no description available]low00amino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		plant metabolite
ribulose-1,5 diphosphate[no description available]low00ribulose phosphateEscherichia coli metabolite;
plant metabolite
swertisin[no description available]medium00dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone;
monosaccharide derivative;
polyphenol		adenosine A1 receptor antagonist;
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite
senegalensin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
plant metabolite
glabranin[no description available]low00(2S)-flavan-4-one;
dihydroxyflavanone		plant metabolite
rubiadin[no description available]low00dihydroxyanthraquinoneantibacterial agent;
antioxidant;
hepatoprotective agent;
plant metabolite
soranjidiol[no description available]low00dihydroxyanthraquinoneantibacterial agent;
plant metabolite
skullcapflavone ii[no description available]low00dihydroxyflavone;
tetramethoxyflavone		anti-asthmatic drug;
plant metabolite
rubimaillin[no description available]medium00benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite
tiglic acid[no description available]low002-methylbut-2-enoic acidplant metabolite
psorospermin[no description available]low00epoxide;
organic heterotetracyclic compound;
xanthones		antineoplastic agent;
plant metabolite
delphinidin[no description available]low005-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite
sinensetin[no description available]low00pentamethoxyflavoneplant metabolite
n-methylserotonin[no description available]low00phenols;
tryptamines		human metabolite;
plant metabolite
lyxonic acid[no description available]low00lyxonic acidplant metabolite
kolaviron[no description available]low004'-methoxyflavanones;
biflavonoid;
dihydroflavonols;
ring assembly;
secondary alpha-hydroxy ketone		hepatoprotective agent;
plant metabolite
spinosin[no description available]low00dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone		anxiolytic drug;
plant metabolite
schizandrin b[no description available]low00aromatic 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
acrovestone[no description available]low00acetophenones;
aromatic ether;
olefinic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
cirsiliol[no description available]low00dimethoxyflavone;
trihydroxyflavone		plant metabolite
isosakuranetin[no description available]low00(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite
matteucinol[no description available]low004'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite;
radical scavenger
guvacoline[no description available]medium00alpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		muscarinic agonist;
plant metabolite
corytuberine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite
actinodaphine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor
ar-turmerone[no description available]low00enone;
sesquiterpenoid		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
plant metabolite
isolariciresinol[no description available]low00guaiacols;
lignan;
polyphenol;
primary alcohol		plant metabolite
4'-demethyldesoxypodophyllotoxin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite
t-cadinol[no description available]low00cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		plant metabolite;
volatile oil component
1-hydroxy-2-methylanthraquinone[no description available]low00monohydroxyanthraquinoneplant metabolite
nevadensin[no description available]low00dihydroxyflavone;
trimethoxyflavone		plant metabolite
salvigenin[no description available]low00monohydroxyflavone;
trimethoxyflavone		antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite
columbianetin acetate[no description available]low00acetate ester;
furanocoumarin		plant metabolite
maprounic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 reverse transcriptase inhibitor;
plant metabolite
acetyl aleuritolic acid[no description available]low00acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite
myricanone[no description available]low00aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite
glycyrrhetyl 3-monoglucuronide[no description available]medium00beta-D-glucosiduronic acid;
enone;
monosaccharide derivative;
oxo dicarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin		anti-allergic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human xenobiotic metabolite;
plant metabolite;
sweetening agent
hydroxysitosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid		metabolite;
plant metabolite
capsidiol[no description available]low00eremophilane sesquiterpenoid;
octahydronaphthalenes;
sesquiterpene phytoalexin		antifungal agent;
plant metabolite
phaseollin (isoflavan)[no description available]low00hydroxyisoflavansplant metabolite
cirsilineol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
sclareol[no description available]low00labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite
butrin[no description available]low004'-hydroxyflavanones;
flavanone glycoside;
monohydroxyflavanone		anti-inflammatory agent;
plant metabolite
diplopterol[no description available]low00hopanoid;
pentacyclic triterpenoid;
tertiary alcohol		plant metabolite
confertin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite
pluviatolide[no description available]low00aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols		plant metabolite
pectolinarin[no description available]low00dimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite
albicanol[no description available]low00carbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid		antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite
inuviscolide[no description available]low00gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone;
tertiary alcohol		anti-inflammatory agent;
plant metabolite
helioxanthin[no description available]low00benzodioxoles;
furonaphthodioxole;
lignan		anti-HBV agent;
antineoplastic agent;
plant metabolite
(2S)-5,7-dihydroxy-6,8-dimethylflavanone[no description available]low00dihydroxyflavanoneEC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
medioresinol[no description available]low00dimethoxybenzene;
furofuran;
lignan;
polyphenol		plant metabolite
5-heptadecylresorcinol[no description available]low005-alkylresorcinolantineoplastic agent;
plant metabolite
(+)-epicatechin[no description available]low00catechin;
polyphenol		cyclooxygenase 1 inhibitor;
plant metabolite
kobusin[no description available]low00benzodioxoles;
dimethoxybenzene;
furofuran;
lignan		plant metabolite
nootkatol[no description available]low006-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-olplant 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
dihydroresveratrol[no description available]low00stilbenolplant metabolite;
xenobiotic metabolite
glycitin[no description available]medium007-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
methoxyisoflavone;
monosaccharide derivative		plant metabolite
benzyl d-glucopyranoside[no description available]medium00benzenes;
beta-D-glucoside		plant metabolite
chrysosplenol c[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
antiviral agent;
plant metabolite
5-o-methyllicoricidin[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite
(-)-gallocatechin gallate[no description available]low00catechin;
gallate ester;
polyphenol		antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
pronuciferine[no description available]low00aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound		plant metabolite
santonin[no description available]low00botanical anti-fungal agent;
santonin		plant metabolite
sandaracopimaric acid[no description available]low00monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid		plant metabolite
sitosterol, (3beta)-isomer[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
erythritol[no description available]low00butane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite
stigmastanol[no description available]low003-hydroxy steroid;
phytosterols		anticholesteremic drug;
plant metabolite
vincaleukoblastine[no description available]medium00acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
3-octanone[no description available]low00dialkyl ketoneantifeedant;
biomarker;
fungal metabolite;
human urinary metabolite;
insect attractant;
plant metabolite;
toxin
lanosterol[no description available]low0014alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid		bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
lupeol[no description available]medium00pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory drug;
plant metabolite
noscapine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
aromaticin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite
methyl 3,4-dihydroxybenzoate[no description available]medium00catechols;
methyl ester		antioxidant;
neuroprotective agent;
plant metabolite
2-hydroxy-1,4-benzoxazin-3-one[no description available]low00benzoxazine;
lactam;
lactol		allelochemical;
plant metabolite
menthofuran[no description available]low001-benzofurans;
monoterpenoid		nematicide;
plant metabolite
lariciresinol[no description available]low00aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite
medicarpin[no description available]low00medicarpinplant metabolite
anthricin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes		antineoplastic agent;
apoptosis inducer;
plant metabolite
indole-3-acetonitrile[no description available]low00indoles;
nitrile		auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite
taiwanin c[no description available]low00benzodioxoles;
furonaphthodioxole;
lignan		antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor
sampangine[no description available]low00alkaloid;
organic heterotetracyclic compound		antifungal agent;
plant metabolite
isochamaejasmin[no description available]low00biflavonoid;
hydroxyflavone		plant metabolite
norbelladine[no description available]low00catechols;
phenethylamine alkaloid;
polyphenol;
secondary amino compound		plant metabolite
canavanine[no description available]low00amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		phytogenic insecticide;
plant metabolite
raffinose[no description available]low00raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
naringenin[no description available]low00(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
5-hydroxytryptophan[no description available]low005-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite
theanine[no description available]low00amino acid zwitterion;
N(5)-alkyl-L-glutamine		geroprotector;
neuroprotective agent;
plant metabolite
ouabain[no description available]low0011alpha-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
scopolin[no description available]medium00beta-D-glucoside;
coumarins;
monosaccharide derivative		plant metabolite
stachyose[no description available]low00raffinose family oligosaccharide;
tetrasaccharide		mouse metabolite;
plant metabolite
isomaltulose[no description available]low00glycosylfructoseanimal metabolite;
plant metabolite;
sweetening agent
discretamine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
plant metabolite
mimosine[no description available]low004-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
pelargonidin[no description available]low005-hydroxyanthocyanidinplant metabolite
(+)-limonene[no description available]low00limoneneplant metabolite
hygrine[no description available]low001-(1-methylpyrrolidin-2-yl)acetone;
pyrrolidine alkaloid		plant metabolite
canaline[no description available]low00amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite
norpseudoephedrine[no description available]low00amphetamines;
phenethylamine alkaloid		central nervous system stimulant;
plant metabolite;
psychotropic drug
sophoranone[no description available]low004'-hydroxyflavanones;
dihydroxyflavanone		plant metabolite
petunidin[no description available]low005-hydroxyanthocyanidinplant metabolite
glaucarubinone[no description available]low00carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol		antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite
helveticoside[no description available]medium0014beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
ginsenoside re[no description available]medium0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite
ginsenoside rf[no description available]medium0012beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
plant metabolite
3-o-(alpha-l-arabinopyranosyl)hederagenin[no description available]medium00alpha-L-arabinopyranoside;
hydroxy monocarboxylic acid;
monosaccharide derivative;
pentacyclic triterpenoid;
triterpenoid saponin		plant metabolite
notoginsenoside r1[no description available]medium0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antioxidant;
apoptosis inducer;
neuroprotective agent;
phytoestrogen;
plant metabolite
2-(2-phenylethyl)chromone[no description available]low00benzenes;
chromones		plant metabolite
ferruginol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent
stevioside[no description available]medium00beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent
lenticin[no description available]low00amino-acid betaine;
indole alkaloid;
L-tryptophan derivative		fungal metabolite;
plant metabolite;
xenobiotic
absynthin[no description available]low00organic heteroheptacyclic compound;
sesquiterpene lactone;
triterpenoid		anti-inflammatory agent;
plant metabolite
abyssinone i[no description available]low00monohydroxyflavanone;
phenols		apoptosis inhibitor;
plant metabolite
afzelechin[no description available]low00catechin;
tetrahydroxyflavan		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
asebogenin[no description available]low00dihydrochalconesplant metabolite
lactucin[no description available]medium00azulenofuran;
cyclic terpene ketone;
enone;
primary alcohol;
secondary alcohol;
sesquiterpene lactone		antimalarial;
plant metabolite;
sedative
picrotin[no description available]low00diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite
picrotoxinin[no description available]low00epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist
solavetivone[no description available]low00cyclic ketone;
sesquiterpenoid;
spiro compound		phytoalexin;
plant metabolite
thujopsene[no description available]low00thujopseneplant metabolite
dolichodial[no description available]medium00dialdehyde;
iridoid monoterpenoid;
olefinic compound		animal metabolite;
plant metabolite;
volatile oil component
theasinensin a[no description available]low00biflavonoid;
gallate ester;
proanthocyanidin		anti-inflammatory agent;
anticoronaviral agent;
apoptosis inducer;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
melanin synthesis inhibitor;
plant metabolite
5,6,7-trimethoxyflavone[no description available]low00trimethoxyflavoneanti-HSV-1 agent;
plant metabolite
ammodendrine[no description available]low00acetamides;
N-acylpiperidine;
piperidine alkaloid		plant metabolite;
teratogenic agent
carpaine[no description available]low00alkaloid;
macrodiolide		cardiovascular drug;
plant metabolite
myosmine[no description available]low00pyridine alkaloid;
pyrroline		EC 1.14.14.14 (aromatase) inhibitor;
mutagen;
plant metabolite
dihydropinosylvin[no description available]low00diphenylethane;
resorcinols		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
gingerol[no description available]low00beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite
mucronulatol[no description available]low00hydroxyisoflavans;
methoxyisoflavan		antineoplastic agent;
plant metabolite
ononin[no description available]medium004'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
monosaccharide derivative		plant metabolite
yatein[no description available]low00benzodioxoles;
butan-4-olide;
lignan;
methoxybenzenes		plant metabolite
solasodine[no description available]low00alkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid		anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent
1-alpha-terpineol[no description available]low00alpha-terpineolplant metabolite
epiafzelechin[no description available]low00catechinplant metabolite
maleic acid[no description available]low00butenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
e-z cinnamic acid[no description available]low00cinnamic acidplant metabolite
farnesol[no description available]low00farnesolplant metabolite
retinol[no description available]low00retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
oleic acid[no description available]low00octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
cocaine[no description available]medium00benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
benzoylecgonine[no description available]low00benzoate ester;
tropane alkaloid		epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite
zeatin[no description available]low00zeatinplant metabolite
gamma-sitosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols		marine metabolite;
plant metabolite
costatolide[no description available]medium00cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite
euscaphic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triol		plant metabolite
cinnamtannin b-1[no description available]low00proanthocyanidincyclooxygenase 2 inhibitor;
plant metabolite
meso-dihydroguaiaretic acid[no description available]low00guaiacols;
lignan		plant metabolite
8-prenylnaringenin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		plant metabolite;
platelet aggregation inhibitor
gancaonin I[no description available]low001-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
plant metabolite
6,8-diprenylgenistein[no description available]low007-hydroxyisoflavonesantibacterial agent;
plant metabolite
glycyrin[no description available]low00aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite
glyasperin D[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		plant metabolite
licoricidin[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite
pallidol[no description available]low00carbopolycyclic compound;
polyphenol;
stilbenoid		antifungal agent;
antioxidant;
plant metabolite
egonol[no description available]low001-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol		plant metabolite
23-hydroxytormentic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		anti-inflammatory agent;
plant metabolite
riboflavin[no description available]low00flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
licocoumarone[no description available]low001-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
likviriton[no description available]medium00beta-D-glucoside;
flavanone glycoside;
monohydroxyflavanone;
monosaccharide derivative		anti-inflammatory agent;
anticoronaviral agent;
plant metabolite
sodium benzoate[no description available]low00organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
3-mercaptohexanol[no description available]low00alkanethiol;
primary alcohol		flavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
3'-methoxyflavone[no description available]low003'-methoxyflavonesplant metabolite
piperlactam s[no description available]low00alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite
piperyline[no description available]low00benzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide		antifungal agent;
apoptosis inducer;
plant metabolite
crotonic acid[no description available]low002-butenoic acidplant metabolite
rhapontin[no description available]low00rhaponticinangiogenesis 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
cinnamaldehyde[no description available]low003-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
methyl cinnamate[no description available]low00methyl cinnamateantibacterial agent;
fungal metabolite;
nematicide;
plant metabolite
trans-4-coumaric acid[no description available]low004-coumaric acidfood component;
mouse metabolite;
plant metabolite
2,4-hexadienal[no description available]low00hexadienal;
polyunsaturated fatty aldehyde;
volatile organic compound		flavouring agent;
plant metabolite
epipinoresinol[no description available]low00pinoresinolmarine metabolite;
plant metabolite
sinapinic acid[no description available]low00sinapic acidMALDI matrix material;
plant metabolite
citral[no description available]low00enal;
monoterpenoid;
polyprenal		plant metabolite;
volatile oil component
piperine[no description available]low00benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
squalene[no description available]low00triterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
coumestan[no description available]low00coumestans;
delta-lactone		phytoestrogen;
plant metabolite
antofine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
p-hydroxycinnamaldehyde[no description available]low00cinnamaldehydesapoptosis inducer;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
plant metabolite
n-methylproline[no description available]low00L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound		human metabolite;
plant metabolite
vedelianin[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
plant metabolite
pedilstatin[no description available]low00acetate ester;
phorbol ester;
primary allylic alcohol		plant metabolite
nerol[no description available]low003,7-dimethylocta-2,6-dien-1-olfragrance;
plant metabolite;
volatile oil component
cannabidiol[no description available]low00olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
amygdalin[no description available]low00amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
3,3',4,5'-tetrahydroxystilbene[no description available]low00catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
dehydrovomifoliol[no description available]low00dehydrovomifoliolplant metabolite
isoeugenol[no description available]low00isoeugenolplant metabolite
cotinine[no description available]low00N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
huperzine a[no description available]low00organic heterotricyclic compound;
primary amino compound;
pyridone;
sesquiterpene alkaloid		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent;
nootropic agent;
plant metabolite
nootkatone[no description available]low00carbobicyclic compound;
enone;
sesquiterpenoid		fragrance;
insect repellent;
plant metabolite
geranyl acetate[no description available]low00acetate ester;
monoterpenoid		plant metabolite
coniferyl alcohol[no description available]low00guaiacols;
phenylpropanoid		animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component
geranylacetone[no description available]low00monoterpene ketoneflavouring agent;
fragrance;
plant metabolite;
volatile oil component
aurapten[no description available]low00coumarins;
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
goitrin[no description available]low005-ethenyl-1,3-oxazolidine-2-thioneantiviral agent;
plant metabolite
7-deacetylgedunin[no description available]low00cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite
manool[no description available]low00labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite
2-oxindole-3-acetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid;
oxindoles		plant metabolite
bigelovin[no description available]low00acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite
cyclanoline[no description available]low00berberine alkaloid;
quaternary ammonium ion		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
plant metabolite
sideroxylin[no description available]low00dihydroxyflavone;
monomethoxyflavone		plant metabolite
ladanein[no description available]low00dihydroxyflavone;
dimethoxyflavone		antiviral agent;
plant metabolite;
radical scavenger
t-muurolol[no description available]low00cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component
alpha-carotene[no description available]low00carotenoid beta-end derivative;
cyclic carotene		plant metabolite;
provitamin A
citramalate[no description available]low00dicarboxylic acid dianionhuman metabolite;
plant metabolite
fraxin[no description available]medium00aromatic ether;
beta-D-glucoside;
hydroxycoumarin		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
decaprenoic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monoterpenoid;
polyunsaturated fatty acid		antifungal agent;
EC 1.14.18.1 (tyrosinase) inhibitor;
melanin synthesis inhibitor;
pheromone;
plant metabolite
gallocatechin-3-gallate[no description available]low00catechin;
gallate ester;
polyphenol		plant metabolite
quercetin[no description available]low007-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
coniferin[no description available]medium00aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative		plant metabolite
biochanin a[no description available]low004'-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]low004'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant metabolite
gibberellin a1[no description available]low00C19-gibberellin;
gibberellin monocarboxylic acid;
lactone		plant metabolite
leukotriene a4[no description available]low00epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid		human metabolite;
mouse metabolite;
plant metabolite
sinapine[no description available]low00acylcholineantioxidant;
photosynthetic electron-transport chain inhibitor;
plant metabolite
trans-phytol[no description available]low00diterpenoid;
long-chain primary fatty alcohol		algal metabolite;
plant metabolite;
schistosomicide drug
vitexin[no description available]low00C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
acacetin[no description available]low00dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite
linoleic acid[no description available]low00octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
quercitrin[no description available]medium00alpha-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
beta carotene[no description available]low00carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
leukotriene b4[no description available]low00dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent
coniferaldehyde[no description available]low00cinnamaldehydes;
guaiacols;
phenylpropanoid		antifungal agent;
plant metabolite
herbacetin[no description available]low007-hydroxyflavonol;
pentahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
plant metabolite
gossypetin[no description available]low007-hydroxyflavonol;
hexahydroxyflavone		plant metabolite
ayanin[no description available]low00dihydroxyflavone;
trimethoxyflavone		plant metabolite
apiin[no description available]medium00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone		EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
(all-e) phytoene[no description available]low00phytoeneplant metabolite
vitamin d 2[no description available]low00hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
stigmasterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol		plant metabolite
sinapaldehyde[no description available]low00cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite
quercetin 3-o-glucopyranoside[no description available]medium00beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
3-methylkaempferol[no description available]low00monomethoxyflavone;
trihydroxyflavone		plant metabolite
kaempferol[no description available]low007-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
abscisic acid[no description available]low002-cis-abscisic acidplant hormone;
plant metabolite
senecionine[no description available]low00lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
gamma-linolenic acid[no description available]low00linolenic acid;
omega-6 fatty acid		human metabolite;
mouse metabolite;
plant metabolite
petroselinic acid[no description available]low00octadec-6-enoic acidplant metabolite
cyclobenzaprine[no description available]low009,11,13-octadecatrienoic acidantineoplastic agent;
plant metabolite
jasmonic acid[no description available]low00oxo monocarboxylic acidjasmonates;
plant metabolite
2-hexenal, z-isomer[no description available]low002-hexenalantibacterial agent;
flavouring agent;
plant metabolite
aureusidin[no description available]low00hydroxyauroneplant metabolite
butein[no description available]low00chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
antheraxanthin[no description available]low00epoxycarotenolbiological pigment;
marine metabolite;
plant metabolite
astaxanthine[no description available]low00carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
capsanthin[no description available]low00carotenoneplant metabolite
gardenia yellow[no description available]low00diester;
disaccharide derivative;
diterpenoid		antioxidant;
food colouring;
histological dye;
plant metabolite
cryptoxanthins[no description available]low00carotenolantioxidant;
biomarker;
plant metabolite;
provitamin A
lutein[no description available]low00carotenolfood colouring;
plant metabolite
hispidol[no description available]low00hydroxyauroneplant metabolite
isobutrin[no description available]medium00beta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
cassaine[no description available]medium00enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid		antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison
okanin[no description available]low00benzenetriol;
chalcones		plant metabolite
cucurbitacin i[no description available]low00cucurbitacin;
tertiary alpha-hydroxy ketone		antineoplastic agent;
plant metabolite
brassicasterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		algal metabolite;
animal metabolite;
biomarker;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
human metabolite;
marine metabolite;
plant metabolite;
sterol biosynthesis inhibitor
harman[no description available]low00harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
esculetin[no description available]low00hydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
7-hydroxycoumarin[no description available]low00hydroxycoumarinfluorescent probe;
food component;
plant metabolite
eupatolide[no description available]medium00gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol		antineoplastic agent;
plant metabolite
petasin[no description available]medium00alicyclic ketone;
enoate ester;
enone;
sesquiterpenoid		anti-allergic agent;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator;
plant metabolite;
vasodilator agent
apigenin dimethylether[no description available]low00dimethoxyflavone;
monohydroxyflavone		plant metabolite
axillarin[no description available]low00dimethoxyflavone;
tetrahydroxyflavone		plant metabolite
azaleatin[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		plant metabolite
chrysin[no description available]low007-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
chrysosplenetin b[no description available]low00dihydroxyflavone;
tetramethoxyflavone		antiviral agent;
plant metabolite
diosmetin[no description available]low003'-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
fisetin[no description available]low003'-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]low007-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
gossypin[no description available]medium007-hydroxyflavonol;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone		neuroprotective agent;
plant metabolite
hispidulin[no description available]low00monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
euxanthone[no description available]low00phenols;
xanthones		metabolite;
plant metabolite
gartanin[no description available]low00polyphenol;
xanthones		antineoplastic agent;
plant metabolite
gentiacaulein[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
gentisein[no description available]low00polyphenol;
xanthones		plant metabolite
gentisin[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
isogentisin[no description available]low00aromatic ether;
polyphenol;
xanthones		EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
mangiferin[no description available]low00C-glycosyl compound;
xanthones		anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
norathyriol[no description available]low00polyphenol;
xanthones		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
1,2,8-trihydroxy-6-methoxyxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		antioxidant;
plant metabolite
kuwanon g[no description available]low00resorcinols;
tetrahydroxyflavone		anti-inflammatory agent;
plant metabolite
kuwanon h[no description available]low00resorcinols;
tetrahydroxyflavone		plant metabolite
morusin[no description available]low00extended flavonoid;
trihydroxyflavone		antineoplastic agent;
plant metabolite
myricetin[no description available]low007-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
myricitrin[no description available]medium00alpha-L-rhamnoside;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone		anti-allergic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
pachypodol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antiemetic;
plant metabolite
quercetagetin[no description available]low00flavonols;
hexahydroxyflavone		antioxidant;
antiviral agent;
plant metabolite
robinetin[no description available]low007-hydroxyflavonol;
pentahydroxyflavone		plant metabolite
robinin[no description available]low00dihydroxyflavone;
glycosyloxyflavone		plant metabolite
santin[no description available]low00dihydroxyflavone;
trimethoxyflavone		plant metabolite
wogonin[no description available]low00dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
7-hydroxy-6,4'-dimethoxyisoflavone[no description available]low004'-methoxyisoflavones;
7-hydroxyisoflavones		plant metabolite
coumestrol[no description available]low00coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite
daidzein[no description available]low007-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
pterostilbene[no description available]low00diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
genistein-8-c-glucoside[no description available]low007-hydroxyisoflavones;
C-glycosyl compound		plant metabolite
5-o-caffeoylshikimic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
carboxylic ester;
catechols;
cyclohexenecarboxylic acid		plant metabolite
cynarine[no description available]low00alkyl caffeate ester;
quinic acid		plant metabolite
iridin[no description available]medium004'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite
rosmarinic acid[no description available]low00rosmarinic acidgeroprotector;
plant metabolite
orobol[no description available]low007-hydroxyisoflavonesanti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger
psi-baptigenin[no description available]low007-hydroxyisoflavones;
benzodioxoles		antiprotozoal drug;
plant metabolite
psoralidin[no description available]low00coumestans;
delta-lactone;
polyphenol		estrogen receptor agonist;
plant metabolite
puerarin[no description available]low00C-glycosyl compound;
hydroxyisoflavone		plant metabolite
tectoridin[no description available]medium007-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
methoxyisoflavone;
monosaccharide derivative		plant metabolite
tectorigenin[no description available]low007-hydroxyisoflavones;
methoxyisoflavone		anti-inflammatory agent;
plant metabolite
wighteone[no description available]low007-hydroxyisoflavonesantifungal agent;
plant metabolite
maytansine[no description available]low00alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator
ellagic acid[no description available]low00catechols;
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
savinin[no description available]low00benzodioxoles;
gamma-lactone;
lignan		anti-inflammatory agent;
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite;
T-cell proliferation inhibitor
tectochrysin[no description available]low00monohydroxyflavone;
monomethoxyflavone		antidiarrhoeal drug;
antineoplastic agent;
plant metabolite
2'-hydroxygenistein[no description available]low00hydroxyisoflavoneplant metabolite
astragalin[no description available]medium00beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		plant metabolite;
trypanocidal drug
cinnamyl acetate[no description available]low00acetate esterplant metabolite
kaempferol-3-o-galactoside[no description available]medium00beta-D-galactoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antifungal agent;
plant metabolite
vitexin rhamnoside[no description available]low00C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone		plant metabolite
kaempferol 3-o-sophoroside[no description available]low00sophoroside;
trihydroxyflavone		plant metabolite
quercetin-3-o-sophoroside[no description available]low00sophoroside;
tetrahydroxyflavone		antioxidant;
plant metabolite
ethyl linoleate[no description available]low00long-chain fatty acid ethyl esteranti-inflammatory agent;
plant metabolite
plaunotol[no description available]low00diterpenoid;
primary alcohol		anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary
sofalcone[no description available]low00aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
xanthoxin[no description available]low00apo carotenoid sesquiterpenoid;
enal		plant growth retardant;
plant metabolite
tocotrienol, alpha[no description available]low00tocotrienol;
vitamin E		ferroptosis inhibitor;
human metabolite;
neuroprotective agent;
plant metabolite
tocotrienol, beta[no description available]low00tocotrienol;
vitamin E		antineoplastic agent;
apoptosis inducer;
plant metabolite
gamma-tocotrienol[no description available]low00tocotrienol;
vitamin E		antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent
tocotrienol, delta[no description available]low00tocotrienol;
vitamin E		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite
4-hydroxychalcone[no description available]low00chalcones;
phenols		antihypertensive agent;
plant metabolite
9-hydroxy-10,12-octadecadienoic acid[no description available]low00HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite
2-heptenal[no description available]low00enal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde		plant metabolite;
uremic toxin
2-nonenal, (trans)-isomer[no description available]low00enal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde		plant metabolite
oleylamide[no description available]low00primary fatty amidehuman metabolite;
plant metabolite
1-monooleoyl-rac-glycerol[no description available]low001-acylglycerol 18:1;
monooleoylglycerol		plant metabolite
monolinolein[no description available]low001-acylglycerol 18:2;
rac-1-monoacylglycerol		antiviral agent;
human metabolite;
plant metabolite
methyl linoleate[no description available]low00fatty acid methyl esterplant metabolite
vitamin k 1[no description available]low00phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
morphine[no description available]low00morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
delta(3)-hexadecenoic acid[no description available]low00hexadecenoic acidplant metabolite
stearidonic acid[no description available]low00long-chain fatty acid;
octadecatetraenoic acid;
omega-3 fatty acid		Daphnia galeata metabolite;
mouse metabolite;
plant metabolite
juniperonic acid[no description available]low00icosatetraenoic acidplant metabolite
rosmarinic acid[no description available]low00carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
cannabigerol[no description available]low00phytocannabinoid;
resorcinols		anti-inflammatory agent;
antibacterial agent;
antioxidant;
appetite enhancer;
cannabinoid receptor agonist;
neuroprotective agent;
plant metabolite
centaureidin[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite
cinnamyl alcohol[no description available]low00cinnamyl alcoholplant metabolite
7-demethylsuberosin[no description available]low00hydroxycoumarinplant metabolite
kaempferol 3-o-rhamnoside[no description available]medium00glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		anti-inflammatory agent;
antibacterial agent;
plant metabolite
syringin[no description available]medium00beta-D-glucoside;
dimethoxybenzene;
monosaccharide derivative;
primary alcohol		hepatoprotective agent;
plant metabolite
3,3'-di-o-methylquercetin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
glycitein[no description available]low007-hydroxyisoflavone;
methoxyisoflavone		fungal metabolite;
phytoestrogen;
plant metabolite
glycycoumarin[no description available]low00aromatic ether;
coumarins;
resorcinols		antispasmodic drug;
plant metabolite
quadrangularin a[no description available]low00indanes;
polyphenol;
stilbenoid		antioxidant;
plant metabolite
isoginkgetin[no description available]low00aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
isomangiferin[no description available]low00C-glycosyl compound;
polyphenol;
xanthones		anti-HSV-1 agent;
plant metabolite
isosalipurposide[no description available]medium00beta-D-glucoside;
chalcones;
monosaccharide derivative;
resorcinols		antioxidant;
plant metabolite
kaempferol-3-o-rutinoside[no description available]low00disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
luteolin 4'-o-glucoside[no description available]medium00beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		plant metabolite
methyl linolenate[no description available]low00fatty acid methyl esterinsect attractant;
plant metabolite
3'-o-methylorobol[no description available]low00hydroxyisoflavone;
methoxyisoflavone		plant metabolite
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone[no description available]low00trihydroxyanthraquinoneplant metabolite
cudraflavone c[no description available]low00tetrahydroxyflavoneantibacterial agent;
antineoplastic agent;
plant metabolite
muromonab-cd3[no description available]low00extended flavonoid;
pyranochromane;
trihydroxyflavone		anti-inflammatory agent;
plant metabolite
neobavaisoflavone[no description available]low007-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
neoglycyrol[no description available]low00aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite
beta-ocimene[no description available]low00beta-ocimeneplant metabolite
ombuine[no description available]low00dimethoxyflavone;
flavonols;
trihydroxyflavone		anti-inflammatory agent;
plant metabolite
osthenol[no description available]low00hydroxycoumarinantifungal agent;
plant metabolite
5,7-dihydroxy-4',6-dimethoxyflavone[no description available]low00dihydroxyflavone;
dimethoxyflavone		plant metabolite
tiliroside[no description available]medium00cinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		plant metabolite
spiraeoside[no description available]medium00beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
plant metabolite
rhamnazin[no description available]low00aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite
kaempferol-7-methyl ether[no description available]low00flavonols;
monomethoxyflavone;
trihydroxyflavone		plant metabolite
oridonin[no description available]medium00cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
7,8-dimethylalloxazine[no description available]low007,8-dimethylbenzo[g]pteridine-2,4-dioneplant metabolite
ergothioneine[no description available]low001,3-dihydroimidazole-2-thiones;
amino-acid betaine;
L-histidine derivative;
sulfur-containing amino acid		antioxidant;
chelator;
fungal metabolite;
plant metabolite;
xenobiotic metabolite
ermanin[no description available]low00dihydroxyflavone;
dimethoxyflavone		anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite
5-hydroxy-3,3',4',7-tetramethoxyflavone[no description available]low003'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone		plant metabolite
methyl 2,5-dihydroxycinnamate[no description available]medium00cinnamate ester;
hydroquinones;
methyl ester		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
geroprotector;
human urinary metabolite;
plant metabolite
methyl ferulate[no description available]medium00cinnamate ester;
guaiacols;
methyl ester		plant metabolite
lichexanthone[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
glyceryl behenate[no description available]low001-monoglyceride;
fatty acid ester		antineoplastic agent;
plant metabolite
ethyl oleate[no description available]low00long-chain fatty acid ethyl esteracaricide;
plant metabolite
2-pentenal[no description available]low002-pentenalplant metabolite
erucyl amide[no description available]low0013-docosenamideEC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite;
mammalian metabolite;
plant metabolite;
rat metabolite
beta-damascenone[no description available]low00apo carotenoid monoterpenoid;
cyclic monoterpene ketone;
enone		fragrance;
plant metabolite;
volatile oil component
piperic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles		plant metabolite
pipercallosidine[no description available]low00alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite
dehydrodiconiferyl alcohol[no description available]low001-benzofurans;
guaiacols;
guaiacyl lignin;
primary alcohol		anti-inflammatory agent;
plant metabolite
noreugenin[no description available]low00chromones;
resorcinols		plant metabolite
decussatin[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
ecdysterone[no description available]low0014alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite
beta-aminopropionitrile fumarate (2:1)[no description available]low00fumarate saltantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
gamma-mangostin[no description available]low00phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor
irigenin[no description available]low004'-methoxyisoflavones;
hydroxyisoflavone		plant metabolite
5,4'-dihydroxy-7,3'-dimethoxyflavone[no description available]low00dihydroxyflavone;
dimethoxyflavone		anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite
1,7-dihydroxy-4-methoxyxanthone[no description available]low00aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite
tetrahydroxycurcumin[no description available]low00beta-diketone;
catechols;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
neuroprotective agent;
plant metabolite
zerumbone[no description available]low00cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite
semilicoisoflavone b[no description available]low007-hydroxyisoflavonesEC 1.1.1.21 (aldehyde reductase) inhibitor;
plant metabolite
lespenefril[no description available]medium00alpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite
quercetin 3-sambubioside[no description available]low00disaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
plant metabolite
baohuoside i[no description available]low00glycosyloxyflavoneanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
avicularin[no description available]medium00alpha-L-arabinofuranoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		hepatoprotective agent;
plant metabolite
ochnaflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite
isowighteone[no description available]low007-hydroxyisoflavonesplant metabolite
triolein[no description available]low00triglycerideCaenorhabditis elegans metabolite;
plant metabolite
resiniferatoxin[no description available]low00carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
lyoniside[no description available]medium00beta-D-glucoside;
monosaccharide derivative;
steroid saponin		plant metabolite
4-hydroxycordoin[no description available]low00aromatic ether;
chalcones;
polyphenol		anti-inflammatory agent;
antibacterial agent;
plant metabolite
n-feruloylserotonin[no description available]low00aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite
zosteric acid[no description available]low00aryl sulfate;
cinnamic acids		antifouling biocide;
plant metabolite
eupomatenoid 6[no description available]low00benzofurans;
phenols		anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite
amaranthin betacyanin[no description available]low00disaccharide derivative;
indoles;
olefinic compound;
tetrahydropyridine		biological pigment;
plant metabolite
mevalonolactone[no description available]low004-hydroxy-4-methyloxan-2-onefungal metabolite;
plant metabolite
coronardine[no description available]medium00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
columbianadin[no description available]low00alpha,beta-unsaturated carboxylic ester;
furanocoumarin		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
salannin[no description available]medium00acetate ester;
furans;
limonoid;
methyl ester;
organic heteropentacyclic compound		antifeedant;
insect growth regulator;
plant metabolite
thunberginol f[no description available]low00catechols;
gamma-lactone;
isobenzofuranone		metabolite;
plant metabolite
9-hydroxy-10,12,15-octadecatrienoic acid[no description available]low009-HOTrEplant metabolite
valerenic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component
zeatin riboside[no description available]low009-ribosylzeatin;
nucleoside analogue		cytokinin;
plant metabolite
acuminatin[no description available]low001-benzofurans;
dimethoxybenzene;
neolignan;
olefinic compound;
ring assembly		fungal metabolite;
plant metabolite
cucurbitacin I 2-O-beta-D-glucopyranoside[no description available]medium00beta-D-glucoside;
cucurbitacin;
monosaccharide derivative;
tertiary alpha-hydroxy ketone;
triterpenoid saponin		plant metabolite
perflubron[no description available]low002-acyl-4-prenylphloroglucinol;
chalcones		plant metabolite
tuberonic acid[no description available]low00cyclopentanones;
homoallylic alcohol;
oxo monocarboxylic acid;
primary alcohol		jasmonates;
plant metabolite
salvianolic acid B[no description available]medium001-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite
trilobatin[no description available]medium00aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		anti-inflammatory agent;
antioxidant;
plant metabolite;
sweetening agent
2',4',6'-trihydroxychalcone[no description available]low00chalconesantifungal agent;
plant metabolite
beta-tocopherol[no description available]low00tocopherol;
vitamin E		food component;
plant metabolite
nyasol[no description available]low001,3-bis(p-hydroxyphenyl)pentane-1,4-dieneplant metabolite
ginsenoside rb2[no description available]medium0012beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antiviral agent;
hypoglycemic agent;
plant metabolite
yunaconitine[no description available]medium00acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
3-tyrosine[no description available]low00hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols		plant metabolite
alpha-solanine[no description available]low00glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
3-O-feruloyl-D-quinic acid[no description available]medium00enoate ester;
quinic acid		plant metabolite
ginsenoside f1[no description available]medium0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		apoptosis inhibitor;
plant metabolite
capsiate[no description available]low00carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
p-coumaric acid glucoside[no description available]low004-O-beta-D-glucosyl-4-coumaric acidplant metabolite
ginsenoside m1[no description available]medium0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite
nicotianamine[no description available]low00amino acid zwitterion;
nicotianamine		chelator;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
plant metabolite
6''-o-malonyldaidzin[no description available]medium00glycosyloxyisoflavone;
hydroxyisoflavone;
malonate ester;
monosaccharide derivative		plant metabolite
ginsenoside f2[no description available]medium0012beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
plant metabolite
ginsenoside rg3[no description available]low00ginsenoside;
glycoside;
tetracyclic triterpenoid		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid[no description available]low0011-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
hetacillin[no description available]low00guaiacols;
lignan;
oxolanes;
polyphenol;
tetrol		plant metabolite
kaempferol 7-o-glucoside[no description available]medium00beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
3-epi-fagomine[no description available]medium00amino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol		EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite
akuammicine[no description available]medium00methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
demethylzeylasteral[no description available]low00arenecarbaldehyde;
benzenediols;
carbopolycyclic compound;
cyclic ketone;
enone;
oxo monocarboxylic acid		anti-inflammatory agent;
EC 2.4.1.17 (glucuronosyltransferase) inhibitor;
immunosuppressive agent;
nephroprotective agent;
plant metabolite
alpha-cadinol[no description available]low00cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		fungicide;
plant metabolite;
volatile oil component
11-hydroxysugiol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
catechols;
cyclic terpene ketone;
meroterpenoid		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
triptohypol C[no description available]low00benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite
trilobacin[no description available]low00butenolide;
polyketide;
triol		antineoplastic agent;
plant metabolite
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone[no description available]low00chalcones;
monomethoxybenzene;
resorcinols		EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one[no description available]low00diarylheptanoid;
enone;
phenols		plant metabolite
6-deacetylnimbin[no description available]medium00cyclic terpene ketone;
diester;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid		antifeedant;
insect growth regulator;
plant metabolite
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one[no description available]low00diarylheptanoid;
enone;
phenols		plant metabolite
2,3-dihydro-3beta-methoxy withaferin A[no description available]medium0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite
azadirone[no description available]low00acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		antineoplastic agent;
antiplasmodial drug;
plant metabolite
dihydroartemisinic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		plant metabolite
atractyligenine[no description available]low00carbotetracyclic compound;
dihydroxy monocarboxylic acid;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		plant metabolite
dihydrogenistin[no description available]medium00beta-D-glucoside;
hydroxyisoflavanone;
monosaccharide derivative		plant metabolite
n-benzylhexadecanamide[no description available]low00macamide;
secondary carboxamide		EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
neuroprotective agent;
plant metabolite
triphosphate[no description available]low00aldehyde;
indole alkaloid;
organic heteropentacyclic compound		plant metabolite
aspalathin[no description available]low00C-glycosyl compound;
catechols;
dihydrochalcones;
polyketide;
polyphenol		antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
hypoglycemic agent;
plant metabolite
glyceryl ferulate[no description available]medium001-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter
obolactone[no description available]low002-pyranones;
4-pyranones		antineoplastic agent;
plant metabolite
quinine[no description available]medium00Aspidosperma alkaloid;
epoxide;
methyl ester;
monoterpenoid indole alkaloid;
organic heterohexacyclic compound		plant metabolite
alpha-onocerin[no description available]medium00diol;
olefinic compound;
secondary alcohol;
triterpenoid		plant metabolite
kalopanax saponin b[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
ginsenoside rd[no description available]medium00beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary
(+)-dehydrodiconiferyl alcohol[no description available]low00dehydrodiconiferyl alcoholantioxidant;
plant metabolite
viridiflorol[no description available]low00carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol		anti-inflammatory agent;
antifeedant;
antimycobacterial drug;
plant metabolite;
volatile oil component
gedunin[no description available]low00acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid		antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite
morelloflavone[no description available]low00biflavonoid;
hydroxyflavanone;
hydroxyflavone		plant metabolite
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
azadiradione[no description available]low00acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		anti-inflammatory agent;
antimycobacterial drug;
plant metabolite
(-)-pinoresinol[no description available]low00pinoresinolplant metabolite
oplodiol[no description available]medium00carbobicyclic compound;
octahydronaphthalenes;
secondary alcohol;
sesquiterpenoid;
tertiary alcohol		plant metabolite
roburic acid[no description available]low00monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid		plant metabolite
ginsenoside rc[no description available]medium0012beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		hypoglycemic agent;
plant metabolite
ginsenoside rh1[no description available]medium0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		plant metabolite
ginsenoside rb3[no description available]medium0012beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antidepressant;
antioxidant;
cardioprotective agent;
neuroprotective agent;
NMDA receptor antagonist;
plant metabolite
eriodictyol 7-O-beta-D-glucopyranoside[no description available]medium00beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one[no description available]low00alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite
astragaloside IV[no description available]low00pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
antioxidant;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
neuroprotective agent;
plant metabolite;
pro-angiogenic agent
1-O-feruloyl-beta-D-glucose[no description available]medium00aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite
astragaloside ii[no description available]medium00beta-D-glucoside;
monosaccharide derivative;
oxolanes;
pentacyclic triterpenoid;
triterpenoid saponin		plant metabolite
23-hydroxyursolic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
dihydroconiferyl alcohol glucoside[no description available]medium00beta-D-glucoside;
monomethoxybenzene;
monosaccharide derivative;
primary alcohol		plant metabolite
oroxylin a-7-o-glucuronide[no description available]medium00beta-D-glucosiduronic acid;
glycosyloxyflavone;
monohydroxyflavone;
monomethoxyflavone;
monosaccharide derivative		plant metabolite
5-deoxystrigol[no description available]low00indenofuran;
strigolactone		plant metabolite
2,3-dihydrowithaferin A[no description available]medium0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		plant metabolite
vibsanin b[no description available]low00cyclic terpene ketone;
enone;
tertiary alcohol;
vibsane diterpenoid		plant growth retardant;
plant metabolite
malonylgenistin[no description available]medium00beta-D-glucoside;
glycosyloxyisoflavone;
hydroxyisoflavone;
malonate ester;
monosaccharide derivative		plant metabolite
adonixanthin[no description available]medium00carotenone;
cyclic ketone;
secondary alcohol		algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite
niga-ichigoside f1[no description available]medium00beta-D-glucoside;
monosaccharide derivative;
pentacyclic triterpenoid;
tetrol;
triterpenoid saponin		plant metabolite
cinnamtannin a2[no description available]low00proanthocyanidinplant metabolite
benzoylaconine[no description available]medium00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite
miltiradiene[no description available]low00abietadiene;
carbotricyclic compound		plant metabolite
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether[no description available]medium00dimethoxybenzene;
flavonolignan;
polyphenol;
primary alcohol;
secondary alcohol		plant metabolite
triptotriterpenic acid a[no description available]low00diol;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
cycloeucalenone[no description available]low003-oxo-5alpha-steroid;
cyclic terpene ketone;
pentacyclic triterpenoid		plant metabolite
deoxyaconitine[no description available]medium00acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound		plant metabolite
ginsenoside rg2[no description available]medium0012beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		anticoagulant;
cardioprotective agent;
plant metabolite
cauloside D[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
oxypaeoniflora[no description available]medium004-hydroxybenzoate ester;
beta-D-glucoside;
bridged compound;
cyclic acetal;
lactol;
monoterpene glycoside		plant metabolite
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one[no description available]low00aromatic ether;
homoisoflavonoid;
polyphenol		angiogenesis modulating agent;
plant metabolite
vindolinine[no description available]medium00methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
rubusoside[no description available]medium00beta-D-glucoside;
bridged compound;
steviol glycoside;
tetracyclic diterpenoid		plant metabolite;
sweetening agent
madecassoside[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin		anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary
benzoylmesaconine[no description available]medium00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite
albiflorin[no description available]medium00benzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol		neuroprotective agent;
plant metabolite
6-tuliposide b[no description available]medium006-O-acyl-D-glucose;
enoate ester		antibacterial agent;
antifungal agent;
plant metabolite
quercetin 3-o-glucoside-7-o-rhamnoside[no description available]medium00beta-D-glucoside;
quercetin O-glucoside;
trihydroxyflavone		plant metabolite;
trypanocidal drug
10-nonacosanol[no description available]low00secondary fatty alcohol;
ultra-long-chain fatty alcohol		plant metabolite
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside[no description available]medium00beta-D-glucoside;
cinnamaldehydes;
dimethoxybenzene;
monosaccharide derivative		plant metabolite
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one[no description available]low00diarylheptanoid;
ketone;
phenols		plant metabolite
kurarinol[no description available]low004'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		anti-inflammatory agent;
antioxidant;
plant metabolite
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
gypenoside XVII[no description available]medium0012beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		plant metabolite
euonine[no description available]low00acetate ester;
dihydroagarofuran sesquiterpenoid;
macrolide;
pyridine alkaloid;
sesquiterpene alkaloid		immunosuppressive agent;
insecticide;
plant metabolite
picrinine[no description available]medium00alkaloid ester;
indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
polycyclic ether		analgesic;
anti-asthmatic agent;
anti-inflammatory agent;
antitussive;
plant metabolite
(20R)-ginsenoside Rg3[no description available]low00ginsenoside;
glycoside;
tetracyclic triterpenoid		antioxidant;
plant metabolite
epoxyazadiradione[no description available]low00acetate ester;
cyclic terpene ketone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
insecticide;
plant metabolite
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide[no description available]low00acetamides;
hydroxyindoles;
tryptamines		antineoplastic agent;
apoptosis inducer;
plant metabolite
ascorbic acid[no description available]low00ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
salicylates[no description available]low00monohydroxybenzoateplant metabolite
orobanchol[no description available]medium00indenofuran;
secondary alcohol;
strigolactone		plant metabolite
stemmadenine[no description available]medium00Aspidosperma alkaloid;
methyl ester;
monoterpenoid indole alkaloid;
organic heterotetracyclic compound;
primary alcohol		plant metabolite
capilliposide b[no description available]medium00alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin		antineoplastic agent;
plant metabolite
paeoniflorigenone[no description available]low00alicyclic ketone;
benzoate ester;
bridged compound;
cyclic acetal;
lactol;
monoterpenoid		neuromuscular agent;
plant metabolite
maysin[no description available]low00disaccharide derivative;
flavone C-glycoside;
secondary alpha-hydroxy ketone;
tetrahydroxyflavone		insecticide;
neuroprotective agent;
plant metabolite
cryptocaryol a[no description available]low002-pyranones;
pentol		plant metabolite
gypenoside LXXV[no description available]medium0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		plant metabolite
chrysopine[no description available]low00amino acid opine;
carboxamide;
delta-lactone;
secondary amino compound;
spiroketal;
triol		plant metabolite
ebc-46[no description available]low00diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester		antineoplastic agent;
plant metabolite;
protein kinase C agonist
wilforgine[no description available]low00acetate ester;
dihydroagarofuran sesquiterpenoid;
furans;
macrocyclic lactone;
organic heteropentacyclic compound;
pyridine alkaloid		plant metabolite
dehydrotomatine[no description available]low00alkaloid antibiotic;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
phytotoxin;
plant metabolite
biliatresone[no description available]low00aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin
cyclic gmp[no description available]low003',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
deoxyinosine[no description available]low00purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate[no description available]low00deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-triphosphate		Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
guanosine diphosphate mannose[no description available]low00GDP-D-mannoseEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
dihydrolipoic acid[no description available]low00thio-fatty acidantioxidant;
human metabolite;
neuroprotective agent
creatine[no description available]low00glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
5,5-dimethyl-1-pyrroline-1-oxide[no description available]low001-pyrroline nitronesneuroprotective agent;
spin trapping reagent
ethylisopropylamiloride[no description available]low00aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
5-methoxytryptamine[no description available]low00aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist
7-chlorokynurenic acid[no description available]low00organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist
cilostazol[no description available]low00lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
dantrolene[no description available]low00hydrazone;
imidazolidine-2,4-dione		muscle relaxant;
neuroprotective agent;
ryanodine receptor antagonist
etazolate[no description available]low00ethyl ester;
hydrazone;
pyrazolopyridine		alpha-secretase activator;
antidepressant;
antipsychotic agent;
anxiolytic drug;
GABA agent;
neuroprotective agent;
phosphodiesterase IV inhibitor
ethoxyquin[no description available]low00aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
felbamate[no description available]low00carbamate esteranticonvulsant;
neuroprotective agent
kynurenic acid[no description available]low00monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
memantine[no description available]low00adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
4-phenylbutyric acid, sodium salt[no description available]low00organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
methylene blue[no description available]low00organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer
methylprednisolone[no description available]low006-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
cytidine diphosphate choline[no description available]low00nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite
tetramethylpyrazine[no description available]low00alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
pn 401[no description available]low00acetate ester;
uridines		neuroprotective agent;
orphan drug;
prodrug
argon[no description available]low00monoatomic argon;
noble gas atom;
p-block element atom		food packaging gas;
neuroprotective agent
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]low00chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
tenocyclidine[no description available]low00piperidines;
tertiary amino compound;
thiophenes		central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist
norvaline[no description available]low002-aminopentanoic acid;
L-alpha-amino acid zwitterion		bacterial metabolite;
hypoglycemic agent;
neuroprotective agent
pyrrolidine dithiocarbamate[no description available]low00dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger
pinocembrin[no description available]low00(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
rivastigmine[no description available]low00carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
7-ketocholesterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
7-oxo steroid;
cholestanoid		neuroprotective agent
phenylisopropyladenosine[no description available]low00aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent
delta(9)-tetrahydrocannabinolic acid[no description available]low00benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent
s-methylthiocitrulline[no description available]low00imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent
ta 0910[no description available]low00oligopeptideanalgesic;
neuroprotective agent;
nootropic agent
cgp 42112a[no description available]low00benzyl ester;
oligopeptide;
pyridinecarboxamide		angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent
3-(2,2,2-trimethylhydrazine)propionate[no description available]low00ammonium betainecardioprotective agent;
EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor;
neuroprotective agent
27-hydroxycholesterol[no description available]low0026-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent
cyanidin[no description available]low005-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
lanthionine ketimine[no description available]low001,4-thiazine;
dicarboxylic acid;
sulfur-containing amino acid		anti-inflammatory agent;
human urinary metabolite;
neuroprotective agent
tempol[no description available]low00aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
fasudil hydrochloride[no description available]low00hydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator agent
6-methylthiohexyl isothiocyanate[no description available]low00isothiocyanate;
methyl sulfide		antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent
sb 203580[no description available]low00imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
dizocilpine[no description available]low00secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
memantine hydrochloride[no description available]low00hydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
carnosine[no description available]low00amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
neriifolin[no description available]low00cardenolide glycosidecardiotonic drug;
neuroprotective agent;
toxin
ginsenoside rg1[no description available]medium0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		neuroprotective agent;
pro-angiogenic agent
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol[no description available]low00carbotetracyclic compound;
polyphenol		estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent
dimethyloxalylglycine[no description available]medium00glycine derivative;
methyl ester;
secondary carboxamide		EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor;
neuroprotective agent
glycerylphosphorylcholine[no description available]low00phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite
n-(4-(n-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide[no description available]low00pyrazines;
sulfonamide;
thiophenes		necroptosis inhibitor;
neuroprotective agent
amn082[no description available]low00benzenes;
diamine;
diarylmethane;
secondary amino compound		metabotropic glutamate receptor agonist;
neuroprotective agent
rasagiline[no description available]low00indanes;
secondary amine;
terminal acetylenic compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
ferrostatin-1[no description available]low00ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione[no description available]low00benzenes;
thiadiazolidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
hinokiflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent
morin[no description available]low007-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
caffeic acid phenethyl ester[no description available]low00alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
menatetrenone[no description available]low00menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent
arachidonyl-2-chloroethylamide[no description available]low00fatty amide;
organochlorine compound;
secondary carboxamide;
synthetic cannabinoid		CB1 receptor agonist;
CB2 receptor agonist;
neuroprotective agent
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone[no description available]low00morpholines;
naphthyl ketone;
organic heterotricyclic compound;
synthetic cannabinoid		analgesic;
apoptosis inhibitor;
neuroprotective agent
su 11248[no description available]low00monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
dizocilpine maleate[no description available]low00maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
sdz eaa 494[no description available]low00monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist
ro 25-6981[no description available]medium00benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
bis(7)-tacrine[no description available]low00secondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent
jasplakinolide[no description available]low00cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent
ursodoxicoltaurine[no description available]low00bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent
l 779976[no description available]low00benzimidazoles;
indoles;
piperidinecarboxamide;
primary amino compound;
secondary carboxamide		neuroprotective agent;
somatostatin receptor agonist
NNC 55-0396 (free base)[no description available]low00benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
ly 379268[no description available]low00amino dicarboxylic acid;
bridged compound;
organic heterobicyclic compound		antipsychotic agent;
anxiolytic drug;
metabotropic glutamate receptor agonist;
neuroprotective agent
glu-asp-arg[no description available]low00tripeptideneuroprotective agent
n-arachidonoyl l-serine[no description available]low00N-(fatty acyl)-L-alpha-amino acidcannabinoid receptor agonist;
mammalian metabolite;
neuroprotective agent;
pro-angiogenic agent;
vasodilator agent
np 031112[no description available]low00benzenes;
naphthalenes;
thiadiazolidine		anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride[no description available]low00hydrochloridegeroprotector;
metabotropic glutamate receptor agonist;
neuroprotective agent
glycoursodeoxycholic acid[no description available]low00bile acid glycine conjugate;
N-acylglycine		human blood serum metabolite;
neuroprotective agent
protectin d1[no description available]low00dihydroxydocosahexaenoic acid;
protectin;
secondary allylic alcohol		anti-inflammatory agent;
apoptosis inhibitor;
hepatoprotective agent;
human xenobiotic metabolite;
neuroprotective agent;
PPARgamma agonist;
specialised pro-resolving mediator
forapin[no description available]low00peptidyl amide;
polypeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.13 (protein kinase C) inhibitor;
hepatoprotective agent;
neuroprotective agent;
venom
astressin[no description available]low00homodetic cyclic peptide;
polypeptide		corticotropin-releasing factor receptor antagonist;
neuroprotective agent
liraglutide[no description available]low00lipopeptide;
polypeptide		glucagon-like peptide-1 receptor agonist;
neuroprotective agent
nnc 55-0396[no description available]low00hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
SL-327[no description available]low00(trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline		EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent
apelin-13 peptide[no description available]low00oligopeptideantihypertensive agent;
autophagy inhibitor;
biomarker;
human metabolite;
neuroprotective agent
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe[no description available]low00polypeptideapoptosis inhibitor;
human metabolite;
neuroprotective agent
semaglutide[no description available]low00lipopeptide;
polypeptide		anti-obesity agent;
appetite depressant;
glucagon-like peptide-1 receptor agonist;
hypoglycemic agent;
neuroprotective agent
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)[no description available]low00benzodioxoles;
imidazolone;
substituted aniline		autophagy inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.12.1 (dual-specificity kinase) inhibitor;
neuroprotective agent;
nootropic agent
rifampin[no description available]low00cyclic 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
apelin-12 peptide[no description available]low00oligopeptidebiomarker;
human blood serum metabolite;
human metabolite;
neuroprotective agent
carbobenzoxyvalylphenylalanine aldehyde[no description available]low00aldehyde;
carbamate ester;
dipeptide		antileishmanial agent;
apoptosis inhibitor;
EC 3.4.22.52 (calpain-1) inhibitor;
EC 3.4.22.53 (calpain-2) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor
ro 4929097[no description available]low00dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound		EC 3.4.23.46 (memapsin 2) inhibitor
dibutyl phthalate[no description available]low00diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
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
acarbose[no description available]low00tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
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
isovitexin[no description available]low00C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
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
eugeniin[no description available]medium00beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
n-nonyl-1-deoxynojirimycin[no description available]low00hydroxypiperidine;
tertiary amino compound		antiviral agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.2.1.45 (glucosylceramidase) inhibitor
butylidenephthalide[no description available]low002-benzofurans;
gamma-lactone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hypoglycemic agent;
metabolite
dieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger
aspulvinone E[no description available]low004-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one;
aspulvinone		antiviral agent;
Aspergillus metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
marine metabolite
pqq cofactor[no description available]low00orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid		anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role)
tramiprosate[no description available]low00amino sulfonic acid;
zwitterion		algal metabolite;
anti-inflammatory agent;
anticonvulsant;
GABA agonist;
nootropic agent
theophylline[no description available]low00dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
dipyrone[no description available]low00amino sulfonic acid;
pyrazoles		anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
oxatomide[no description available]low00benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
pentamidine[no description available]low00aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
sb 220025[no description available]low00aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines		angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
tilorone[no description available]low00aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
colchicine[no description available]low00alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
2-methyl-1,4-hydroquinone[no description available]low00hydroquinonesangiogenesis inhibitor;
anti-inflammatory agent;
Penicillium metabolite
physcione[no description available]low00dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite
2-hydroxyacetanilide[no description available]low00acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
diallyl trisulfide[no description available]low00organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent
castanospermine[no description available]low00indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
triptonide[no description available]low00butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound		anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent
7-hydroxydehydroepiandrosterone[no description available]low0017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid;
androstanoid		anti-inflammatory agent;
antioxidant;
estrogen;
human xenobiotic metabolite;
rat metabolite
goralatide[no description available]low00oligopeptide;
tetrapeptide		anti-inflammatory agent;
pro-angiogenic agent
prednisolone phosphate[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
glucocorticoid;
steroid phosphate;
tertiary alpha-hydroxy ketone		anti-inflammatory agent;
antineoplastic agent;
glucocorticoid receptor agonist;
prodrug
betulin[no description available]low00diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
sigmoidin a[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger
monotropein[no description available]medium00beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite
decane-1,2-diol[no description available]low00glycol;
volatile organic compound		anti-inflammatory agent;
antioxidant;
human metabolite
eupatorin[no description available]low00dihydroxyflavone;
polyphenol;
trimethoxyflavone		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent
quillaic acid[no description available]low00aldehyde;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
u 69593[no description available]low00monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound		anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist
ecteinascidin 743[no description available]low00acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
taraxasterol[no description available]medium00pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite
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
procyanidin b3[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite
rp 73401[no description available]low00aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide		anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor
naringin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
isonaringin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite
cleomiscosin a[no description available]low00aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite
tretinoin[no description available]low00retinoic 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
rosuvastatin[no description available]low00dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
mln 4760[no description available]low00dichlorobenzene;
L-histidine derivative;
L-leucine derivative		anti-inflammatory agent;
EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor
histidyl-proline diketopiperazine[no description available]low00dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine		anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite
lisofylline[no description available]low001-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dioneanti-inflammatory agent;
immunomodulator
dipyrone[no description available]low00organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
2'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent
sirtinol[no description available]low00aldimine;
benzamides;
naphthols		anti-inflammatory agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Sir2 inhibitor
ospemifene[no description available]low00aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine[no description available]low00adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid		adenosine A2A receptor agonist;
anti-inflammatory agent
fraxetin[no description available]low00aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent
eupatilin[no description available]low00dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
2'-hydroxyformononetin[no description available]low004'-methoxyisoflavones;
7-hydroxyisoflavones		anti-inflammatory agent
naringenin chalcone[no description available]low00chalcones;
polyphenol		anti-allergic agent;
anti-inflammatory agent;
metabolite
diosmin[no description available]low00dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
rhamnetin[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite
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
4'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent
rosuvastatin calcium[no description available]low00N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt		anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor
9,11-linoleic acid[no description available]low00octadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite
leukotriene b5[no description available]low00dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		anti-inflammatory agent;
human xenobiotic metabolite;
rat metabolite
camostat mesylate[no description available]low00methanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
6,7,4'-trihydroxyisoflavone[no description available]low007-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist
as 605240[no description available]low00quinoxaline derivative;
thiazolidinediones		anti-inflammatory agent;
antirheumatic drug;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
ethyl caffeate[no description available]low00alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite
sappanchalcone[no description available]low00catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite
4-methylesculetin[no description available]low00hydroxycoumarinanti-inflammatory agent;
antioxidant;
hyaluronan synthesis inhibitor
ag-490[no description available]low00catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor
bay 11-7085[no description available]low00benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor
flavokawain b[no description available]low00chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
jaceosidin[no description available]low00dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite
demethoxycurcumin[no description available]low00beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite
meso-zeaxanthin[no description available]low00carotenolanti-inflammatory agent;
antioxidant;
human xenobiotic metabolite;
marine metabolite
beraprost[no description available]medium00enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
jwh-133[no description available]low00benzochromene;
dibenzopyran;
organic heterotricyclic compound		analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent
bufalin[no description available]low0014beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug
pinellic acid[no description available]low00TriHOMEadjuvant;
anti-inflammatory agent
jte 607[no description available]low00hydrochlorideanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug
arachidonoylserotonin[no description available]low00N-acylserotonin;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule
jte 013[no description available]low00chloropyridine;
pyrazolopyridine		anti-asthmatic agent;
anti-inflammatory agent;
antineoplastic agent;
osteogenesis regulator;
pro-angiogenic agent;
sphingosine-1-phosphate receptor 2 antagonist
myrsinoic acid b[no description available]low001-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite
5s,12r,18r-trihydroxy-6z,8e,10e,14z,16e-eicosapentaenoic acid[no description available]low00hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
nonclassic icosanoid;
resolvin;
triol		anti-inflammatory agent;
human xenobiotic metabolite
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
abt-737[no description available]low00aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
procyanidin b1[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite
cenicriviroc[no description available]low00aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
resolvin d2[no description available]low00hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol;
triol		anti-inflammatory agent;
anti-obesity agent;
estrogen receptor agonist;
human xenobiotic metabolite;
rat metabolite
hu 308[no description available]low00aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid		anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist
bay 60-6583[no description available]low00aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide		adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent
monascorubrin[no description available]low00azaphilone;
enone;
gamma-lactone;
polyketide;
triketone		anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor
resolvin e2[no description available]low00diol;
hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol		anti-inflammatory agent;
human xenobiotic metabolite;
rat metabolite
alpha-msh[no description available]low00peptide hormoneanti-inflammatory agent
antrocamphin a[no description available]low00methoxybenzenesanti-inflammatory agent;
metabolite
scalaradial[no description available]low00acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid		animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker
ph 797804[no description available]low00aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
beraprost sodium[no description available]low00organic sodium saltanti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
methylprednisolone suleptanate[no description available]low00organic sodium saltanti-asthmatic drug;
anti-inflammatory agent;
glucocorticoid receptor agonist;
prodrug
epi-maslinic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
resolvin d1[no description available]low00hydroxy polyunsaturated fatty acid;
resolvin;
triol		anti-inflammatory agent
resolvin D4[no description available]low00hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol;
triol		anti-inflammatory agent;
human xenobiotic metabolite
resolvin d3[no description available]low00hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol;
triol		anti-inflammatory agent;
human xenobiotic metabolite
9-PAHSA[no description available]low00FAHFA;
long-chain fatty acid		anti-inflammatory agent;
human metabolite;
hypoglycemic agent
praliciguat[no description available]low00aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
AZ3451[no description available]low00benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide		anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator
parathion[no description available]low00C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
tacrine[no description available]low00acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acephate[no description available]low00mixed diacylamine;
organic thiophosphate;
organothiophosphate insecticide;
phosphoramide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
azinphosmethyl[no description available]low00benzotriazines;
organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
bendiocarb[no description available]low00benzodioxoles;
carbamate ester		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
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
carbofuran[no description available]low001-benzofurans;
carbamate ester		acaricide;
agrochemical;
avicide;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nematicide
chlorpyrifos[no description available]low00chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
diazinon[no description available]low00organic thiophosphate;
pyrimidines		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dichlorvos[no description available]low00alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide		anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
dimethoate[no description available]low00monocarboxylic acid amide;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
disulfoton[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
donepezil[no description available]low00aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
ethion[no description available]low00organic thiophosphateacaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
ethoprophos[no description available]low00organic thiophosphate;
organothiophosphate insecticide		agrochemical;
antinematodal drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
fenthion[no description available]low00organic thiophosphateacaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
methomyl[no description available]low00aliphatic sulfide;
carbamate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic
methyl parathion[no description available]low00C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
naled[no description available]low00dialkyl phosphate;
organobromine compound;
organochlorine compound;
organophosphate insecticide		acaricide;
agrochemical;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
neostigmine[no description available]low00quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
phorate[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
phosalone[no description available]low001,3-benzoxazoles;
carbamate ester;
organochlorine insecticide;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
propoxur[no description available]low00aromatic ether;
carbamate ester		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
temefos[no description available]low00organic sulfide;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
ectoparasiticide
terbutaline[no description available]low00phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
trichlorfon[no description available]low00organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
famophos[no description available]low00organic thiophosphate;
organothiophosphate insecticide		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
carbaryl[no description available]low00carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
fensulfothion[no description available]low00organic thiophosphate;
organothiophosphate insecticide;
sulfoxide		agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide
pyridafenthion[no description available]low00organic thiophosphate;
organothiophosphate insecticide;
pyridazinone		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
paraoxon[no description available]low00aryl dialkyl phosphate;
organophosphate insecticide		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
chlorfenvinphos[no description available]low00dichlorobenzene;
organic phosphate;
organochlorine acaricide;
organochlorine insecticide;
organophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
imperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
thiometon[no description available]low00organic thiophosphate;
organosulfur compound;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
phosmet[no description available]low00organic thiophosphate;
organothiophosphate insecticide;
phthalimides		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
demeton-s-methyl[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
fonofos[no description available]low00organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
methidathion[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
dimethoxon[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
metolcarb[no description available]low00carbamate esteracaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
aminocarb[no description available]low00carbamate ester;
toluenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
molluscicide
methiocarb[no description available]low00aryl sulfide;
carbamate ester;
methyl sulfide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
molluscicide;
xenobiotic
phenylphosphonothioic acid, 2-ethyl 2-(4-nitrophenyl) ester[no description available]low00organic phosphonate;
organothiophosphate insecticide;
phosphonic ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
mecarbam[no description available]low00carbamate ester;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
phenthoate, (+-)-isomer[no description available]low00ethyl ester;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
isoprocarb[no description available]low00carbamate esteragrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
cyanophos[no description available]low00organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
azinphos ethyl[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
sulfotepp[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
bpmc[no description available]low00carbamate esteragrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
herbicide;
insecticide
chlorpyrifos-methyl[no description available]low00chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
hypochlorous acid[no description available]low00chlorine oxoacid;
reactive oxygen species		EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite
terbufos[no description available]low00organic thiophosphate;
organosulfur compound;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide
quinalphos[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
edifenphos[no description available]low00organic thiophosphateantifungal agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin;
phospholipid biosynthesis inhibitor
fenamiphos[no description available]low00organophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
formetanate[no description available]low00carbamate esteracaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
fenitrothion[no description available]low00C-nitro compound;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
pirimicarb[no description available]low00aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
triazophos[no description available]low00organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide
isofenphos[no description available]low00isopropyl ester;
organic phosphonate;
organothiophosphate insecticide;
phosphonic ester;
salicylates		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
pirimiphos methyl[no description available]low00aminopyrimidine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
croneton[no description available]low00carbamate esteragrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
prothiophos[no description available]low00dichlorobenzene;
organic thiophosphate;
organosulfur compound		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
sulprofos[no description available]low00organic thiophosphate;
organosulfur compound;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
profenofos[no description available]low00monochlorobenzenes;
organic thiophosphate;
organochlorine insecticide;
organophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
vx[no description available]low00organic thiophosphate;
tertiary amino compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin
dibutylaminosulfenylcarbofuran[no description available]low001-benzofurans;
carbamate ester		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide
deltanit[no description available]low001-benzofurans;
carbamate ester		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
bambuterol hydrochloride[no description available]low00carbamate ester;
hydrochloride;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent
bambuterol[no description available]low00carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
benfuracarb[no description available]low001-benzofurans;
carbamate ester;
ethyl ester		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
heptenophos[no description available]low00organochlorine compound;
organophosphate insecticide;
trialkyl phosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
isoimperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
azamethiphos[no description available]low00organic thiophosphate;
organochlorine acaricide;
organochlorine insecticide;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
bay 93820[no description available]low00isopropyl ester;
organic phosphonate;
organothiophosphate insecticide;
phosphonic ester;
salicylates		agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
cadusafos[no description available]low00organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide
fosthiazate[no description available]low00organic phosphonate;
organothiophosphate insecticide;
phosphonic ester		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide
pyraclofos[no description available]low00monochlorobenzenes;
organic thiophosphate;
organochlorine insecticide;
organosulfur compound;
organothiophosphate insecticide;
pyrazoles		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
corynoline[no description available]medium00benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite
decursinol[no description available]medium00cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
geissospermine[no description available]medium00indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor
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
norswertianolin[no description available]medium00beta-D-glucoside;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
tetrachlorvinphos[no description available]low00alkenyl phosphate;
dialkyl phosphate;
organochlorine insecticide;
organophosphate insecticide;
trichlorobenzene		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
dicrotophos[no description available]low00dialkyl phosphate;
organophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
monocrotophos[no description available]low00alkenyl phosphate;
dialkyl phosphate;
monocarboxylic acid amide;
organophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
propetamphos[no description available]low00isopropyl ester;
organophosphate insecticide;
phosphoramidate ester		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
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
xyloketal a[no description available]low00organic heteroheptacyclic compound;
xyloketal		EC 3.1.1.7 (acetylcholinesterase) inhibitor
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
nepetalactol[no description available]low00cyclopentapyran;
lactol
gardenoside[no description available]low00beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite
linamarin[no description available]low00beta-D-glucoside
etoposide[no description available]low00beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
asperuloside[no description available]low00acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite
4-nitrophenyl beta-d-glucoside[no description available]low00beta-D-glucoside;
C-nitro compound		chromogenic compound
taxiphyllin[no description available]low00beta-D-glucoside;
nitrile
miserotoxin[no description available]low00beta-D-glucoside;
C-nitro compound		phytotoxin
tuliposide a[no description available]low00beta-D-glucoside;
homoallylic alcohol;
O-acyl carbohydrate
cleistanthin b[no description available]low00beta-D-glucoside;
cleistanthins;
monosaccharide derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
picrocrocin[no description available]low00beta-D-glucoside
dhurrin[no description available]low00beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative;
nitrile
phellamurin[no description available]low004'-hydroxyflavanones;
beta-D-glucoside;
dihydroflavonols;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		metabolite
daphnin[no description available]low00beta-D-glucoside
indican[no description available]low00beta-D-glucoside;
exopolysaccharide;
indolyl carbohydrate
cyanidin 3-o-beta-d-glucopyranoside[no description available]low00anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative		metabolite
scilliroside[no description available]low00beta-D-glucosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
rodenticide
furostanol i[no description available]low00beta-D-glucoside;
cyclic hemiketal;
pentacyclic triterpenoid;
steroid saponin;
trisaccharide derivative		metabolite
chrysophanol 8-o-glucoside[no description available]low00beta-D-glucoside;
monohydroxyanthraquinone
acanthoside b[no description available]low00beta-D-glucosidemetabolite
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
teniposide[no description available]low00aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
4-methylumbelliferyl glucoside[no description available]low00beta-D-glucoside;
coumarins;
monosaccharide derivative		chromogenic compound
apigetrin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
esculin[no description available]low00beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite
astringin[no description available]low00beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite
quercimeritrin[no description available]low00beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
metabolite
isorhamnetin 3-o-glucoside[no description available]low00beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
rhodiocyanoside a[no description available]low00aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite
stigmasterol 3-o-beta-d-glucopyranoside[no description available]low00beta-D-glucoside;
monosaccharide derivative;
phytosterols;
steroid saponin		metabolite
rebaudioside a[no description available]low00beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid		sweetening agent
(+)-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
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
avenacoside b[no description available]low00beta-D-glucoside;
hexacyclic triterpenoid;
spiroketal;
steroid saponin;
tetrasaccharide derivative		metabolite
rebaudioside m[no description available]low00beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid		sweetening agent
arecoline[no description available]low00enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
methylmethacrylate[no description available]low00enoate ester;
methyl ester		allergen;
polymerisation monomer
methyl acrylate[no description available]low00enoate ester
butyl methacrylate[no description available]low00enoate ester
ethylene dimethacrylate[no description available]low00enoate esterallergen;
cross-linking reagent;
polymerisation monomer
2-ethylhexyl acrylate[no description available]low00enoate ester
glycidyl methacrylate[no description available]low00enoate ester;
epoxide
ethyl acrylate[no description available]low00enoate ester
hydroxyethyl methacrylate[no description available]low00enoate esterallergen;
polymerisation monomer
2-hydroxypropyl methacrylate[no description available]low00enoate esterpolymerisation monomer
2-aminoethylmethacrylate[no description available]low00enoate ester
2,2-di(4-methacryloxyphenyl)propane[no description available]low00bisphenol;
enoate ester		metabolite
dimethyl fumarate[no description available]low00diester;
enoate ester;
methyl ester		antipsoriatic;
immunomodulator
monastrol[no description available]low00enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
azoxystrobin[no description available]low00aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic
methyl farnesoate[no description available]low00enoate ester;
fatty acid methyl ester;
juvenile hormone		crustacean metabolite
bryostatin 1[no description available]low00acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist
azadirachtin[no description available]low00acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol		hepatoprotective agent
etretinate[no description available]low00enoate ester;
ethyl ester;
retinoid		keratolytic drug
meptyldinocap[no description available]low00C-nitro compound;
enoate ester
monomethyl fumarate[no description available]low00dicarboxylic acid monoester;
enoate ester;
methyl ester		antioxidant;
drug metabolite;
immunomodulator
cystothiazole a[no description available]low001,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic		antifungal agent;
antineoplastic agent;
bacterial metabolite
mucidin[no description available]low00enoate ester;
enol ether		antifungal agent;
fungal metabolite
bryostatin 2[no description available]low00bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		antineoplastic agent;
marine metabolite;
protein kinase C agonist
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid[no description available]low00enoate ester;
methyl ester;
monocarboxylic acid amide		metabolite
strobilurin b[no description available]low00enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
monochlorobenzenes;
monomethoxybenzene		antifungal agent;
fungal metabolite;
mitochondrial cytochrome-bc1 complex inhibitor
fluacrypyrim[no description available]low00enoate ester;
enol ether;
methyl ester;
organofluorine acaricide;
pyrimidines		mitochondrial cytochrome-bc1 complex inhibitor
picoxystrobin[no description available]low00aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
cytarabine[no description available]low00beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
sisomicin[no description available]low00amino cyclitol glycoside;
aminoglycoside antibiotic;
beta-L-arabinoside;
monosaccharide derivative
epirubicin[no description available]low00aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
idarubicin[no description available]low00anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
4-nitrophenylgalactoside[no description available]low00beta-D-galactoside;
monosaccharide derivative		affinity label
methyl alpha-d-galactopyranoside[no description available]low00alpha-D-galactoside;
methyl D-galactoside;
monosaccharide derivative
4-methylumbelliferyl glucuronide[no description available]low00beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative		antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor
prunin protein, prunus[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite
4-nitrophenyl alpha-glucoside[no description available]low00alpha-D-glucoside;
C-nitro compound;
monosaccharide derivative		chromogenic compound
digoxigenin-mono(digitoxoside)[no description available]low00cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid saponin		metabolite
4-methylumbelliferyl-galactopyranoside[no description available]low00beta-D-galactoside;
coumarins;
monosaccharide derivative		chromogenic compound
methyl beta-galactoside[no description available]low00beta-D-galactoside;
methyl D-galactoside;
monosaccharide derivative
amarogentin[no description available]low00monosaccharide derivative;
secoiridoid glycoside		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
metabolite
1-hydroxymethylmidazolam glucuronide[no description available]low00beta-D-glucosiduronic acid;
imidazobenzodiazepine;
monofluorobenzenes;
monosaccharide derivative;
organochlorine compound		drug metabolite;
human blood serum metabolite;
human urinary metabolite
aclacinomycin[no description available]low00aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite
salicylic acid glucoside[no description available]low00benzoic acids;
D-glucoside;
monosaccharide derivative
a 195773[no description available]low00macrolide antibiotic;
monosaccharide derivative;
quinolines		antibacterial drug;
protein synthesis inhibitor
chloroorienticin b[no description available]low00cyclic ether;
glycopeptide;
heterodetic cyclic peptide;
monosaccharide derivative;
organochlorine compound;
polyphenol		antimicrobial agent;
bacterial metabolite
troleandomycin[no description available]low00acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
cholesteryl glucoside[no description available]low00monosaccharide derivative;
sterol 3-beta-D-glucoside
saponarin[no description available]low00C-glycosyl compound;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		metabolite
neoastilbin[no description available]low003'-hydroxyflavanones;
4'-hydroxyflavanones;
alpha-L-rhamnoside;
flavanone glycoside;
monosaccharide derivative;
tetrahydroxyflavanone
neocarzinostatin chromophore[no description available]low00cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester		antineoplastic agent
glucuronamide[no description available]low00monocarboxylic acid amide;
monosaccharide derivative
nelarabine[no description available]low00beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
wogonoside[no description available]low00beta-D-glucosiduronic acid;
glycosyloxyflavone;
monohydroxyflavone;
monomethoxyflavone;
monosaccharide derivative
tylosin[no description available]low00aldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative		allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic
luteolin-7-glucuronide[no description available]low00glycosyloxyflavone;
luteolin O-glucuronoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
neomethymycin[no description available]low00enone;
macrolide antibiotic;
monosaccharide derivative		bacterial metabolite
methymycin[no description available]low00enone;
macrolide antibiotic;
monosaccharide derivative		bacterial metabolite
narbomycin[no description available]low00enone;
macrolide antibiotic;
monosaccharide derivative		bacterial metabolite
picromycin[no description available]low00enone;
macrolide antibiotic;
monosaccharide derivative		bacterial metabolite
tilmicosin[no description available]low00enone;
macrolide antibiotic;
monosaccharide derivative		antibacterial drug;
calcium channel blocker;
cardiotoxic agent
natamycin[no description available]low00antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
calycosin-7-o-beta-d-glucopyranoside[no description available]low004'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative
isorhamnetin-3-o-galactoside[no description available]low00beta-D-galactoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
pradimicin b[no description available]low00aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol
myricetin 3-o-glucuronide[no description available]low00monosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone		metabolite
quercetin 7-rhamnoside[no description available]low00alpha-L-rhamnoside;
flavonols;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		metabolite
mycaminosyltylonolide[no description available]low00aldehyde;
enone;
macrolide antibiotic;
monosaccharide derivative
elaiophylin[no description available]low00lactol;
macrodiolide;
monosaccharide derivative		antifungal agent;
autophagy inhibitor;
bacterial metabolite
rosaramicin[no description available]low00aldehyde;
enone;
epoxide;
macrolide antibiotic;
monosaccharide derivative		bacterial metabolite
kaempferol 3-O-beta-L-glucopyranoside[no description available]low00beta-L-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
elloramycin[no description available]low00alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin		antimicrobial agent;
bacterial metabolite
cerberin[no description available]low00acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite
diosgenin glucoside[no description available]low00hexacyclic triterpenoid;
monosaccharide derivative;
spiroketal;
sterol 3-beta-D-glucoside		metabolite
methylamphotericin b[no description available]low00macrolide;
methyl ester;
monosaccharide derivative		antifungal agent;
antiinfective agent;
metabolite
dalbavancin[no description available]low00carbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
enfumafungin[no description available]low00lactol;
monosaccharide derivative;
triterpenoid saponin		antifungal agent
bacillithiol[no description available]low00glycoside;
monosaccharide derivative;
thiol		antioxidant;
bacterial metabolite;
cofactor
novobiocin[no description available]low00carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
gamithromycin[no description available]low00macrolide antibiotic;
monosaccharide derivative		antibacterial drug;
protein synthesis inhibitor
didrovaltrate[no description available]low00iridoid monoterpenoid
asperulosidic acid[no description available]low00glycoside;
iridoid monoterpenoid
spirodionic acid[no description available]low00iridoid monoterpenoid
amlodipine[no description available]low00dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
bay-k-8644[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
carpronium[no description available]low00methyl ester;
quaternary ammonium ion
amberlite cg 400[no description available]low00methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
dimethyl 2,3,5,6-tetrachloroterephthalate[no description available]low00diester;
methyl ester
felodipine[no description available]low00dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
isradipine[no description available]low00benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
methyl salicylate[no description available]low00benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]low00beta-amino acid ester;
methyl ester;
piperidines
nicardipine[no description available]low00benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]low00C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nilvadipine[no description available]low00dihydropyridine;
isopropyl ester;
methyl ester;
nitrile
nisoldipine[no description available]low00C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrendipine[no description available]low00C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
methyl acetate[no description available]low00acetate ester;
methyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent
methyl benzoate[no description available]low00benzoate ester;
methyl ester		insect attractant;
metabolite
methyl formate[no description available]low00formate ester;
methyl ester;
volatile organic compound		fumigant;
insecticide;
polar aprotic solvent;
refrigerant
dimethyl 4-phthalate[no description available]low00diester;
methyl ester;
phthalate ester
deserpidine[no description available]low00alkaloid ester;
benzoate ester;
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
dimethyl phthalate[no description available]low00diester;
methyl ester;
phthalate ester
methyl lactate[no description available]low00lactate ester;
methyl ester		metabolite
methyl pyruvate[no description available]low00methyl ester;
pyruvate ester
methyl hippurate[no description available]low00glycine derivative;
methyl ester		metabolite
vincamine[no description available]low00alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent
4-aminobutyric acid methyl ester[no description available]low00amino acid ester;
methyl ester;
primary amino compound
monomethyl phthalate[no description available]low00methyl ester;
phthalic acid monoester
tabersonine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite
ng-nitroarginine methyl ester[no description available]low00alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor
dichlorfop-methyl[no description available]low00aromatic ether;
dichlorobenzene;
diether;
methyl ester
vindesine[no description available]low00methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent
furalaxyl[no description available]low00alanine derivative;
aromatic amide;
carboxamide;
furans;
methyl ester
2-aminosulfonyl-benzoic acid methyl ester[no description available]low00benzoate ester;
methyl ester;
sulfonamide		marine xenobiotic metabolite
metalaxyl[no description available]low00alanine derivative;
aromatic amide;
carboxamide;
ether;
methyl ester
benalaxyl[no description available]low00alanine derivative;
aromatic amide;
carboxamide;
methyl ester
methyl bensulfuron[no description available]low00aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
esmolol[no description available]low00aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
clopidogrel[no description available]low00methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
carfentanil[no description available]low00methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug
leucine methyl ester[no description available]low00alpha-amino acid ester;
L-leucine derivative;
methyl ester
npk 1886[no description available]low00dihydropyridine;
isopropyl ester;
methyl ester
tyrosine methyl ester[no description available]low00L-tyrosyl ester;
methyl ester
methyl 3-aminopyrazine-2-carboxylate[no description available]low00aromatic amine;
methyl ester;
pyrazines
tetracenomycin c[no description available]low00methyl ester;
tertiary alpha-hydroxy ketone;
tetracenomycin
thifensulfuron methyl[no description available]low001,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
methyl 3-(4-hydroxyphenyl)propionate[no description available]low00methyl ester;
phenols		nitrification inhibitor;
plant growth regulator
methyl methoxyacetate[no description available]low00methyl ester
picloram-methyl[no description available]low00aminopyridine;
chloropyridine;
methyl ester		herbicide
cloransulam-methyl[no description available]low00methyl ester;
monochlorobenzenes;
organofluorine compound;
sulfonamide;
triazolopyrimidines		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate[no description available]low00aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
triflusulfuron-methyl[no description available]low001,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
rhodomycinone[no description available]low00carbopolycyclic compound;
methyl ester;
polyphenol;
tetracenequinones;
tetracenomycin
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
indoxacarb[no description available]low00methyl ester;
organochlorine insecticide		voltage-gated sodium channel blocker
kt 5823[no description available]low00gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound		EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor
lofentanil[no description available]low00methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic
aspartame[no description available]low00carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester		apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
metsulfuron methyl[no description available]low00methoxy-1,3,5-triazine;
methyl ester;
N-sulfonylurea		herbicide
aklavinone[no description available]low00anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent
bisdechlorogeodin[no description available]low001-benzofurans;
cyclohexadiene;
methyl ester;
oxaspiro compound		antimicrobial agent
aricine[no description available]low00methyl ester;
yohimban alkaloid
aglafoline[no description available]low00methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor
raubasine[no description available]low00methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
eplerenone[no description available]low003-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent
aclarubicin[no description available]low00aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
methyl indole-3-carboxylate[no description available]low00indoles;
methyl ester		metabolite
3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester[no description available]low00methyl ester;
pyrimidinethione;
pyrimidone
methyl caffeate[no description available]low00alkyl caffeate ester;
methyl ester
tosylarginine methyl ester[no description available]low00guanidines;
L-arginine ester;
methyl ester;
sulfonamide
alpha-acetyllysine methyl ester[no description available]low00acetamides;
alpha-amino acid ester;
L-lysine derivative;
methyl ester;
primary amino compound
sf 2370[no description available]low00bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound		antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist
5-methoxycarbonylmethyluridine[no description available]low00methyl ester;
uridines
dimethyl maleate[no description available]low00diester;
maleate ester;
methyl ester
rescinnamine[no description available]low00indole alkaloid;
methyl ester;
organic heteropentacyclic compound		antihypertensive agent
l796778[no description available]low00benzenes;
C-nitro compound;
L-lysine derivative;
L-phenylalanine derivative;
methyl ester;
oligopeptide;
secondary carboxamide;
ureas		somatostatin receptor agonist
l803087[no description available]low00benzenes;
fluoroindole;
guanidines;
L-arginine derivative;
methyl ester;
phenylindole;
secondary carboxamide		somatostatin receptor agonist
vinorelbine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
catharanthine[no description available]low00alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
thermorubin[no description available]low00dicarboxylic acid monoester;
methyl ester;
naphthoisochromene
methoxysuccinyl-alanyl-alanyl-prolyl-valine chloromethyl ketone[no description available]low00alpha-chloroketone;
methyl ester;
tripeptide		EC 3.4.21.37 (leukocyte elastase) inhibitor
kresoxim-methyl[no description available]low00aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
varespladib methyl[no description available]low00aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug
estin[no description available]low001-benzofurans;
ether;
methyl ester;
organochlorine compound;
oxaspiro compound;
phenols		Aspergillus metabolite;
Penicillium metabolite
nidulalin a[no description available]low00methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite
vinflunine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
episilvestrol[no description available]low00dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
trifloxystrobin[no description available]low00methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
organofluorine compound;
oxime O-ether		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
bacteriochlorophylls[no description available]low00bacteriochlorophyll;
methyl ester
wyosine[no description available]low00carbamate ester;
methyl ester;
nucleoside analogue
kt 5926[no description available]low00gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound;
tertiary alcohol		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
chlorophyll a[no description available]low00chlorophyll;
methyl ester		cofactor
berkeleydione[no description available]low00beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite
berkeleytrione[no description available]low00beta-diketone;
carbopolycyclic compound;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
tertiary alcohol;
tertiary alpha-hydroxy ketone		cysteine protease inhibitor;
Penicillium metabolite
MS-417[no description available]low00methyl ester;
monochlorobenzenes;
thienotriazolodiazepine
leukotriene c4 monomethyl ester[no description available]low00leukotriene;
methyl ester
monoisopropanolamine[no description available]low00amino alcohol;
secondary alcohol		Escherichia coli metabolite
2,3-butylene glycol[no description available]low00butanediol;
glycol;
secondary alcohol
isocitric acid[no description available]low00secondary alcohol;
tricarboxylic acid		fundamental metabolite
menthol[no description available]low00p-menthane monoterpenoid;
secondary alcohol		volatile oil component
bisoprolol[no description available]low00secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
carteolol[no description available]low00quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
carvedilol[no description available]low00carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
cgp 12177[no description available]low00aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
chlorphenesin carbamate[no description available]low00carbamate ester;
monochlorobenzenes;
secondary alcohol		muscle relaxant
cyclandelate[no description available]low00carboxylic ester;
secondary alcohol		vasodilator agent
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol[no description available]low00benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound
berotek[no description available]low00resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
formoterol fumarate[no description available]low00formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
2-propanol[no description available]low00secondary alcohol;
secondary fatty alcohol		protic solvent
isoproterenol[no description available]low00catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
labetalol[no description available]low00benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
mefloquine hydrochloride[no description available]low00organofluorine compound;
piperidines;
quinolines;
secondary alcohol
metaproterenol[no description available]low00aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
metoprolol[no description available]low00aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
midodrine[no description available]low00amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
practolol[no description available]low00acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
propafenone[no description available]low00aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
salmeterol xinafoate[no description available]low00ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sotalol[no description available]low00ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
2-butanol[no description available]low00secondary alcohol
benzohydrol[no description available]low00benzyl alcohols;
secondary alcohol		bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite
1,3-dichloro-2-propanol[no description available]low00organochlorine compound;
secondary alcohol		cross-linking reagent;
protic solvent
ethyl lactate[no description available]low00ethyl ester;
lactate ester;
secondary alcohol		metabolite
cyclohexanol[no description available]low00cyclohexanols;
secondary alcohol		solvent
diisopropanolamine[no description available]low00aminodiol;
secondary alcohol;
secondary amino compound		buffer;
emulsifier;
surfactant
3,3,5-trimethylcyclohexanol[no description available]low00cyclohexanols;
secondary alcohol		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor
ethyl mandelate[no description available]low00ethyl ester;
secondary alcohol
hexafluoroisopropanol[no description available]low00organofluorine compound;
secondary alcohol		drug metabolite
3-quinuclidinol[no description available]low00quinuclidines;
secondary alcohol;
tertiary amine
spectinomycin[no description available]low00cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
2,5-hexanediol[no description available]low00glycol;
secondary alcohol
sulcatol[no description available]low00secondary alcoholpheromone
1-indanol[no description available]low00aromatic alcohol;
indanes;
secondary alcohol		xenobiotic
colterol[no description available]low00catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent
ornidazole[no description available]low00C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
1-chloro-2-propanol[no description available]low00organochlorine compound;
secondary alcohol
du-21220[no description available]low00benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
bitolterol[no description available]low00carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
diisopropanolnitrosamine[no description available]low00diol;
nitrosamine;
secondary alcohol		carcinogenic agent
triadimenol[no description available]low00aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
st 1059[no description available]low00aromatic ether;
primary amino compound;
secondary alcohol		alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
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
ractopamine[no description available]low00benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
lisofylline[no description available]low00dimethylxanthine;
secondary alcohol
eliprodil[no description available]low00monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
16-hydroxytestosterone[no description available]low0016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid;
diol;
secondary alcohol		androgen
nebivolol[no description available]low00chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
secnidazole[no description available]low00C-nitro compound;
imidazoles;
secondary alcohol		epitope
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
alpha-amyrin[no description available]low00pentacyclic triterpenoid;
secondary alcohol
mandelamide[no description available]low00benzyl alcohols;
monocarboxylic acid amide;
secondary alcohol
fluoren-9-ol[no description available]low00hydroxyfluorenes;
secondary alcohol		animal metabolite
1-cyano-2-hydroxy-3-butene[no description available]low00secondary alcohol
bitertanol[no description available]low00aromatic ether;
biphenyls;
secondary alcohol;
triazoles
taraxerol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		metabolite
4,4'-oxydi-2-butanol[no description available]low00secondary alcohol
lactamide[no description available]low00monocarboxylic acid amide;
secondary alcohol
sporidesmin[no description available]low00aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol[no description available]low00nitrosamine;
pyridines;
secondary alcohol		biomarker;
carcinogenic agent;
human urinary metabolite
4-hydroxydebrisoquin[no description available]low00carboxamidine;
isoquinolines;
secondary alcohol		metabolite
tabtoxin[no description available]low00dipeptide;
L-threonine derivative;
monobactam;
secondary alcohol		bacterial metabolite;
toxin
florfenicol[no description available]low00organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone		antimicrobial agent
paliperidone[no description available]low001,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
bw 245c[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol
conduritol b[no description available]low00cyclitol;
secondary alcohol;
tetrol
withanolide d[no description available]low0020-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent
ml 236a[no description available]low002-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antiatherosclerotic agent;
anticholesteremic drug;
antilipemic drug;
antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite
fumagillol[no description available]low00secondary alcohol;
sesquiterpenoid;
spiro-epoxide		antimicrobial agent
withaferin a[no description available]low0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		antineoplastic agent;
apoptosis inducer
2-hydroxypropylphosphonic acid[no description available]low00phosphonic acids;
secondary alcohol		mouse metabolite
xv 638[no description available]low001,3-thiazoles;
benzamides;
diazepanone;
diol;
secondary alcohol;
secondary carboxamide;
ureas		HIV protease inhibitor
hippeastrine[no description available]low00delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite
yersiniabactin[no description available]low00monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore
prostaglandin h2[no description available]low00olefinic compound;
oxylipin;
prostaglandins H;
secondary alcohol		mouse metabolite
(north)-methanocarbathymidine[no description available]low00C-glycosyl pyrimidine;
carbobicyclic compound;
primary alcohol;
pyrimidone;
secondary alcohol
mupirocin[no description available]low00alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
pf 1163a[no description available]low00aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite
tiamulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug
wiskostatin[no description available]low00carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound
galanal a[no description available]low00secondary alcohol
brl 15572[no description available]low00monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist
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
cholecalciferol[no description available]low00D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
leukotriene e4[no description available]low00amino dicarboxylic acid;
L-cysteine thioether;
leukotriene;
non-proteinogenic L-alpha-amino acid;
secondary alcohol
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2[no description available]low00prostaglandins J;
secondary alcohol		antineoplastic agent;
antiviral agent
previtamin d(3)[no description available]low00D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol		human metabolite
strigol[no description available]low00indenofuran;
secondary alcohol;
strigolactone
l 683590[no description available]low00ether;
lactol;
macrolide;
secondary alcohol		antifungal agent;
bacterial metabolite;
immunosuppressive agent
17-phenyltrinorprostaglandin e2[no description available]low00alicyclic ketone;
beta-hydroxy ketone;
hydroxy monocarboxylic acid;
olefinic compound;
oxo monocarboxylic acid;
prostanoid;
secondary alcohol		human metabolite;
prostaglandin receptor agonist
2,3-dinor-6-ketoprostaglandin f1alpha[no description available]low004-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite
8-isoprostaglandin e2[no description available]low00cyclic ketone;
diol;
prostanoid;
secondary alcohol		bronchoconstrictor agent;
human metabolite;
rat metabolite;
vasoconstrictor agent
sirolimus[no description available]low00antibiotic 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
calcipotriene[no description available]low00cyclopropanes;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
triol		antipsoriatic;
drug allergen
bay u9773[no description available]low00benzoic acids;
dicarboxylic acid;
organic sulfide;
polyunsaturated fatty acid;
secondary alcohol		leukotriene antagonist
iloprost[no description available]low00carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
andrographolide[no description available]low00carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
lasalocid[no description available]low00beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore
pederin[no description available]low00cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide		antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant
streptogramin a[no description available]low001,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide		antibacterial drug;
Mycoplasma genitalium metabolite
benanomicin b[no description available]low00aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol
poricoic acid a[no description available]low00dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid		fungal metabolite
poricoic acid g[no description available]low00dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid		fungal metabolite
pradimicin a[no description available]low00aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol
ici 118551[no description available]low00aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
uniconazole[no description available]low00monochlorobenzenes;
secondary alcohol;
triazoles
diniconazole[no description available]low00dichlorobenzene;
olefinic compound;
secondary alcohol;
triazoles
lumefantrine[no description available]low00fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial
everolimus[no description available]low00cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
terpestacin[no description available]low00secondary alcohol
chaetoviridin a[no description available]low00azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		antifungal agent;
Chaetomium metabolite
laulimalide[no description available]low00carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent
indacaterol[no description available]low00indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
grayanotoxin i[no description available]low00acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid		antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin
fr 148083[no description available]low00aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
tmc-95a[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor
solabegron[no description available]low00carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline		beta-adrenergic agonist
monacolin j[no description available]low002-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite
ustiloxin b[no description available]low00aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin
glutinol[no description available]low00pentacyclic triterpenoid;
secondary alcohol
manassantin b[no description available]low00benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite
tmc-95b[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor
ossamycin[no description available]low00cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite
migrastatin[no description available]low00ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite
allobetulinol[no description available]low00cyclic ether;
secondary alcohol;
triterpenoid
brivanib[no description available]low00aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
olodaterol[no description available]low00aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
cortistatin a[no description available]low00cortistatins;
diol;
secondary alcohol
amrubicinol[no description available]low00diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes		antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor
cytotrienin a[no description available]low00cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
pyrostatin a[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol
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
monacolin l[no description available]low002-pyranones;
hexahydronaphthalenes;
polyketide;
secondary alcohol		anticholesteremic drug;
Aspergillus metabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor
3'-hydroxyechinenone[no description available]low00carotenone;
enone;
secondary alcohol		bacterial metabolite;
biological pigment;
cofactor
tubocapsanolide a[no description available]low004-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide		antineoplastic agent;
NF-kappaB inhibitor
pyranonigrin a[no description available]low00cyclic ketone;
enol;
gamma-lactam;
pyranopyrrole;
secondary alcohol		antioxidant;
Aspergillus metabolite;
marine metabolite
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
4'-epichaetoviridin A[no description available]low00azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		Chaetomium metabolite
eliglustat[no description available]low00benzodioxine;
carboxamide;
N-alkylpyrrolidine;
secondary alcohol		EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
aspergillide b[no description available]low00bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite
papuamide b[no description available]low00cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol		anti-HIV-1 agent;
antineoplastic agent;
marine metabolite
antroquinonol d[no description available]low00enol ether;
enone;
secondary alcohol		antineoplastic agent;
fungal metabolite
bacillaene[no description available]low00enamine;
monocarboxylic acid amide;
polyene antibiotic;
polyketide;
secondary alcohol		antibacterial agent;
antimicrobial agent;
bacterial metabolite
fumonisin b4[no description available]low00diester;
fumonisin;
primary amino compound;
secondary alcohol		Aspergillus metabolite
cay 10580[no description available]low00hydroxy monocarboxylic acid;
pyrrolidin-2-ones;
secondary alcohol		prostaglandin receptor agonist
debromoaplysiatoxin[no description available]low00aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
aplysiatoxin[no description available]low00aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
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
crambescidin 800[no description available]low00alkaloid;
carboxylic ester;
guanidines;
monocarboxylic acid amide;
organic heteropentacyclic compound;
primary amino compound;
secondary alcohol;
spiro compound		anti-HIV-1 agent;
anti-HSV-1 agent;
antimalarial;
marine metabolite
afidopyropen[no description available]low00cyclopropanecarboxylate ester;
organic heterotetracyclic compound;
pyridines;
secondary alcohol		agrochemical;
insecticide;
TRPV channel modulator
asperfuranone[no description available]low002-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite
aspergillide a[no description available]low00bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite
myriaporone 3[no description available]low00beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
cyclooctatin[no description available]low00carbotricyclic compound;
diterpenoid;
primary alcohol;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
EC 3.1.1.5 (lysophospholipase) inhibitor
chrysogine[no description available]low00cyclic amide;
quinazoline alkaloid;
quinazolines;
secondary alcohol;
secondary amide		Aspergillus metabolite;
biological pigment;
marine metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Academic Disorder, Developmental0low10
Acute Confusional Senile Dementia0low30
Acute Edematous Pancreatitis0low10
Acute Ischemic Stroke0low10
Acute Kidney Failure0low30
Acute Kidney Injury0low30
Acute Kidney Insufficiency0low30
Acute Lung Injury0low10
Acute Pancreatitis0low10
Acute Renal Failure0low30
Acute Renal Injury0low30
Acute Renal Insufficiency0low30
Adult Learning Disabilities0low10
Adult Learning Disorders0low10
Adult Spinal Muscular Atrophy0low10
Adult-Onset Spinal Muscular Atrophy0low10
Age-Related Memory Disorders0low20
Age-Related Osteoporosis0low30
Allergic Reaction0low10
Allergy0low10
Allodynia0low30
Allodynia, Mechanical0low30
Allodynia, Tactile0low30
Allodynia, Thermal0low30
Alloxan Diabetes0low90
Alzheimer Dementia0low30
Alzheimer Disease0low30
Alzheimer Disease, Early Onset0low30
Alzheimer Disease, Late Onset0low30
Alzheimer Sclerosis0low30
Alzheimer Syndrome0low30
Alzheimer Type Senile Dementia0low30
Alzheimer-Type Dementia (ATD)0low30
Alzheimer's Disease0low30
Alzheimer's Disease, Focal Onset0low30
Alzheimer's Diseases0low30
Amnesia0low10
Amnesia-Memory Loss0low10
Amnesia, Dissociative0low10
Amnesia, Global0low10
Amnesia, Hysterical0low10
Amnesia, Tactile0low10
Amnesia, Temporary0low10
Amnestic State0low10
Amyotrophy, Neurogenic Scapuloperoneal, New England Type0low10
Anemia, Fanconi0low10
Anxiety0low20
Arthritis, Degenerative0low20
Arthroses0low20
Arthrosis0low20
Asymmetric Diabetic Proximal Motor Neuropathy0low10
Atherogenesis0low10
Atherosclerosis0low10
Atherosclerotic Parkinsonism0low10
Benign Neoplasms0low10
Bladder, Overactive0low10
Blood Poisoning0low20
Bloodstream Infection0low20
Body Weight0low20
Bone Loss, Age-Related0low30
Bone Loss, Perimenopausal0low10
Bone Loss, Postmenopausal0low10
Bulbospinal Neuronopathy0low10
Cancer0low10
Cerebral Infarction, Middle Cerebral Artery0low10
Chronic Kidney Diseases0low50
Chronic Kidney Insufficiency0low50
Chronic Pain0low10
Chronic Renal Diseases0low50
Chronic Renal Insufficiency0low50
Cirrhosis, Liver0low10
Cognitive Decline0low20
Cognitive Dysfunction0low20
Cognitive Impairments0low20
Colitis0low10
Colitis Gravis0low20
Colitis, Ulcerative0low20
Complications of Diabetes Mellitus0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Cryptogenic Embolism Stroke0low10
Cryptogenic Ischemic Stroke0low10
Cryptogenic Stroke0low10
Deficiency, Yang0low10
Dementia, Alzheimer Type0low30
Dementia, Presenile0low30
Dementia, Primary Senile Degenerative0low30
Dementia, Senile0low30
Depression0low60
Developmental Academic Disability0low10
Developmental Academic Disorder0low10
Developmental Disabilities of Scholastic Skills0low10
Developmental Disorders of Scholastic Skills0low10
Diabetes Complications0low10
Diabetes Mellitus0low10
Diabetes Mellitus, Adult-Onset0low20
Diabetes Mellitus, Experimental0low90
Diabetes Mellitus, Ketosis-Resistant0low20
Diabetes Mellitus, Maturity-Onset0low20
Diabetes Mellitus, Non Insulin Dependent0low20
Diabetes Mellitus, Non-Insulin-Dependent0low20
Diabetes Mellitus, Noninsulin Dependent0low20
Diabetes Mellitus, Noninsulin-Dependent0low20
Diabetes Mellitus, Slow-Onset0low20
Diabetes Mellitus, Stable0low20
Diabetes Mellitus, Type 20low20
Diabetes Mellitus, Type II0low20
Diabetes-Related Complications0low10
Diabetic Amyotrophy0low10
Diabetic Asymmetric Polyneuropathy0low10
Diabetic Autonomic Neuropathy0low10
Diabetic Complications0low10
Diabetic Glomerulosclerosis0low60
Diabetic Kidney Disease0low60
Diabetic Mononeuropathy0low10
Diabetic Mononeuropathy Simplex0low10
Diabetic Nephropathies0low60
Diabetic Nephropathy0low60
Diabetic Neuralgia0low10
Diabetic Neuropathies0low10
Diabetic Neuropathy, Painful0low10
Diabetic Polyneuropathy0low10
Disease Models, Animal0low120
Distal Spinal Muscular Atrophy0low10
Early Onset Alzheimer Disease0low30
Embolic Infarction, Middle Cerebral Artery0low10
Embolus, Middle Cerebral Artery0low10
Experimental Diabetes Mellitus0low90
Extravascular Hemolysis0low10
Familial Alzheimer Disease (FAD)0low30
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Fever, Zika0low10
Fibrosis, Liver0low10
Focal Onset Alzheimer's Disease0low30
Genetic Predisposition0low10
Genetic Predisposition to Disease0low10
Genetic Susceptibility0low10
Glomerulosclerosis, Diabetic0low60
Gout0low10
Haemolysis0low10
Hemolysis0low10
Hepatic Cirrhosis0low10
Hereditary Motor Neuronopathy0low10
Hyperalgesia0low30
Hyperalgesia, Mechanical0low30
Hyperalgesia, Primary0low30
Hyperalgesia, Secondary0low30
Hyperalgesia, Tactile0low30
Hyperalgesia, Thermal0low30
Hyperalgesic Sensations0low30
Hyperalgia0low30
Hyperalgia, Mechanical0low30
Hyperalgia, Primary0low30
Hyperalgia, Secondary0low30
Hyperglycemia0low20
Hyperglycemia, Postprandial0low20
Hypersensitivity0low10
Idiopathic Proctocolitis0low20
Infarction, Middle Cerebral Artery0low10
Inflammation0low130
Inflammatory Bowel Disease, Ulcerative Colitis Type0low20
Injuries, Spinal Cord0low10
Injury, Ischemia-Reperfusion0low10
Injury, Myocardial Reperfusion0low10
Injury, Reperfusion0low10
Innate Inflammatory Response0low130
Insulin Resistance0low10
Insulin Sensitivity0low10
Intracapillary Glomerulosclerosis0low60
Intravascular Hemolysis0low10
Ischaemic Stroke0low10
Ischemia0low10
Ischemia-Reperfusion Injury0low10
Ischemic Stroke0low10
Kidney Failure, Acute0low30
Kidney Insufficiency, Acute0low30
Kidney Insufficiency, Chronic0low50
Kimmelstiel-Wilson Disease0low60
Kimmelstiel-Wilson Syndrome0low60
Late Onset Alzheimer Disease0low30
Learning Disabilities0low10
Learning Disorders0low10
Learning Disorders, Adult0low10
Learning Disturbance0low10
Left Middle Cerebral Artery Infarction0low10
Liver Cirrhosis0low10
Liver Fibrosis0low10
Lung Injury, Acute0low10
Malignancy0low10
Malignant Neoplasms0low10
Maturity-Onset Diabetes0low20
Maturity-Onset Diabetes Mellitus0low20
MCA Infarct0low10
MCA Infarction0low10
Mechanical Allodynia0low30
Mechanical Hyperalgesia0low30
Memory Deficits0low20
Memory Disorder, Semantic0low20
Memory Disorder, Spatial0low20
Memory Disorders0low20
Memory Disorders, Age-Related0low20
Memory Loss0low20
Mental Deterioration0low20
Middle Cerebral Artery Circulation Infarction0low10
Middle Cerebral Artery Embolic Infarction0low10
Middle Cerebral Artery Embolus0low10
Middle Cerebral Artery Infarction0low10
Middle Cerebral Artery Occlusion0low10
Middle Cerebral Artery Stroke0low10
Middle Cerebral Artery Syndrome0low10
Middle Cerebral Artery Thrombosis0low10
Middle Cerebral Artery Thrombotic Infarction0low10
Mild Cognitive Impairment0low20
Mild Neurocognitive Disorder0low20
MODY0low20
Mononeuropathy, Diabetic0low10
MPTP Neurotoxicity Syndrome0low20
MPTP Poisoning0low20
MPTP-Induced Degeneration of the Striatum0low20
MPTP-Induced Parkinsonism0low20
Muscular Atrophy, Adult Spinal0low10
Muscular Atrophy, Spinal0low10
Myelopathic Muscular Atrophy0low10
Myelopathic Muscular Atrophy, Progressive0low10
Myelopathy, Traumatic0low10
Myocardial Ischemic Reperfusion Injury0low10
Myocardial Reperfusion Injury0low10
Neoplasia0low10
Neoplasm0low10
Neoplasms0low10
Neoplasms, Benign0low10
Nerve Degeneration0low10
Nerve Pain0low40
Neuralgia0low40
Neuralgia, Atypical0low40
Neuralgia, Diabetic0low10
Neuralgia, Iliohypogastric Nerve0low40
Neuralgia, Ilioinguinal0low40
Neuralgia, Perineal0low40
Neuralgia, Stump0low40
Neuralgia, Supraorbital0low40
Neuralgia, Vidian0low40
Neuroblastoma0low20
Neurodynia0low40
Neuron Degeneration0low10
Neuropathic Pain0low40
Neurotoxicity Syndrome, MPTP0low20
NIDDM0low20
Nodular Glomerulosclerosis0low60
Noninsulin-Dependent Diabetes Mellitus0low20
Occlusion, Middle Cerebral Artery0low10
Oculopharyngeal Spinal Muscular Atrophy0low10
Osteoarthritis0low20
Osteoarthritis of Knee0low10
Osteoarthritis of the Knee0low10
Osteoarthritis, Knee0low10
Osteoarthrosis0low20
Osteoarthrosis Deformans0low20
Osteoporosis0low30
Osteoporosis, Age-Related0low30
Osteoporosis, Involutional0low30
Osteoporosis, Post-Menopausal0low10
Osteoporosis, Post-Traumatic0low30
Osteoporosis, Postmenopausal0low10
Osteoporosis, Senile0low30
Overactive Bladder0low10
Overactive Detrusor0low10
Overactive Detrusor Function0low10
Overactive Urinary Bladder0low10
Pain, Chronic0low10
Pancreatic Parenchyma with Edema0low10
Pancreatic Parenchymal Edema0low10
Pancreatitis0low10
Pancreatitis, Acute0low10
Pancreatitis, Acute Edematous0low10
Parkinson Disease, Secondary0low10
Parkinson Disease, Secondary Vascular0low10
Parkinson Disease, Symptomatic0low10
Parkinsonism, Secondary0low10
Parkinsonism, Symptomatic0low10
Paroxysmal Nerve Pain0low40
Perimenopausal Bone Loss0low10
Peripancreatic Fat Necrosis0low10
Poisoning, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine0low20
Poisoning, Blood0low20
Post-Traumatic Myelopathy0low10
Postmenopausal Bone Loss0low10
Postmenopausal Osteoporosis0low10
Postprandial Hyperglycemia0low20
Predisposition, Genetic0low10
Presenile Alzheimer Dementia0low30
Primary Senile Degenerative Dementia0low30
Progressive Muscular Atrophy0low10
Progressive Myelopathic Muscular Atrophy0low10
Progressive Proximal Myelopathic Muscular Atrophy0low10
Proteinuria0low10
Proximal Myelopathic Muscular Atrophy, Progressive0low10
Pyaemia0low20
Pyemia0low20
Pyohemia0low20
Renal Failure, Acute0low30
Renal Insufficiency, Acute0low30
Renal Insufficiency, Chronic0low50
Reperfusion Damage0low10
Reperfusion Injury0low10
Reperfusion Injury, Myocardial0low10
Retention Disorders, Cognitive0low20
Right Middle Cerebral Artery Infarction0low10
Scapuloperoneal Form of Spinal Muscular Atrophy0low10
Scapuloperoneal Spinal Muscular Atrophy0low10
Scholastic Skills Development Disorders0low10
Secondary Parkinsonism0low10
Secondary Vascular Parkinson Disease0low10
Semantic Memory Disorder0low20
Senile Dementia, Acute Confusional0low30
Senile Dementia, Alzheimer Type0low30
Senile Osteoporosis0low30
Sensitivity and Specificity0low10
Sepsis0low20
Septicemia0low20
Severe Sepsis0low20
Spatial Memory Disorder0low20
Spinal Amyotrophy0low10
Spinal Cord Contusion0low10
Spinal Cord Injuries0low10
Spinal Cord Laceration0low10
Spinal Cord Transection0low10
Spinal Cord Trauma0low10
Spinal Muscular Atrophy0low10
Spinal Muscular Atrophy, Distal0low10
Spinal Muscular Atrophy, Oculopharyngeal0low10
Spinal Muscular Atrophy, Scapuloperoneal0low10
Spinal Muscular Atrophy, Scapuloperoneal Form0low10
Streptozocin Diabetes0low90
Streptozotocin Diabetes0low90
Stroke, Middle Cerebral Artery0low10
Susceptibility, Genetic0low10
Symmetric Diabetic Proximal Motor Neuropathy0low10
Symptomatic Parkinson Disease0low10
Tactile Allodynia0low30
Tauopathies0low10
Tauopathy0low10
Thermal Allodynia0low30
Thrombosis, Middle Cerebral Artery0low10
Thrombotic Infarction, Middle Cerebral Artery0low10
Tumors0low10
Type 2 Diabetes0low20
Type 2 Diabetes Mellitus0low20
Ulcerative Colitis0low20
Urinary Bladder, Overactive0low10
Wake-up Stroke0low10
Weight Gain0low20
Widespread Chronic Pain0low10
Yang Deficiency0low10
Yang Hsu0low10
Yang Xu0low10
Yangxu0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (2)

ArticleYear
Unexpected Neuroprotective Effects of Loganin on 1-Methyl-4-Phenyl-1,2,3,6-Tetrahydropyridine-Induced Neurotoxicity and Cell Death in Zebrafish.
Journal of cellular biochemistry, Volume: 118, Issue: 3		2017
Neuroprotective iridoid glycosides from Cornus officinalis fruits against glutamate-induced toxicity in HT22 hippocampal cells.
Phytomedicine : international journal of phytotherapy and phytopharmacology, Feb-15, Volume: 19, Issue: 3-4		2012
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (2)

ArticleYear
Impact of loganin on pro-inflammatory cytokines and depression- and anxiety-like behaviors in male diabetic rats.
Physiology international, Jun-01, Volume: 105, Issue: 2		2018
Impact of loganin on pro-inflammatory cytokines and depression- and anxiety-like behaviors in male diabetic rats.
Physiology international, 09-01, Volume: 105, Issue: 3		2018
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (7)

ArticleYear
Development and validation of a simple and rapid UPLC-MS/MS method for loganin and its application in pharmacokinetic and tissue distribution studies.
Journal of ethnopharmacology, Jan-30, Volume: 319, Issue: Pt 1		2024
Phytochemistry, synthesis, analytical methods, pharmacological activity, and pharmacokinetics of loganin: A comprehensive review.
Phytotherapy research : PTR, Volume: 36, Issue: 6		2022
Simultaneous determination of loganin, morroniside, catalpol and acteoside in normal and chronic kidney disease rat plasma by UPLC-MS for investigating the pharmacokinetics of Rehmannia glutinosa and Cornus officinalis Sieb drug pair extract.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jan-15, Volume: 1009-1010		2016
[Pharmacokinetics of loganin, ferulic acid and stilbene glucoside in Bushen Tongluo formula in vivo].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 40, Issue: 12		2015
Comparative pharmacokinetics of the main compounds of Shanzhuyu extract after oral administration in normal and chronic kidney disease rats.
Journal of ethnopharmacology, Sep-15, Volume: 173		2015
[Studies on pharmacokinetics of loganin and morroniside in Cornus officinalis injection in mice].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 28, Issue: 6		2003
[RP-HPLC determination of loganin in mouse plasma and its pharmacokinetics].
Yao xue xue bao = Acta pharmaceutica Sinica, Volume: 37, Issue: 7		2002
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (4)

ArticleYear
Development and validation of a simple and rapid UPLC-MS/MS method for loganin and its application in pharmacokinetic and tissue distribution studies.
Journal of ethnopharmacology, Jan-30, Volume: 319, Issue: Pt 1		2024
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
[Pharmacokinetics of loganin, ferulic acid and stilbene glucoside in Bushen Tongluo formula in vivo].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 40, Issue: 12		2015
[Studies on absorption mechanism of loganin in intestines of rats].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 33, Issue: 9		2008
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (2)

ArticleYear
Neuroprotective Effects of Loganin on MPTP-Induced Parkinson's Disease Mice: Neurochemistry, Glial Reaction and Autophagy Studies.
Journal of cellular biochemistry, Volume: 118, Issue: 10		2017
[Influences of Base Fertilizer Dosage and Root Size on Quality and Yield of Gentiana crassicaulis Root].
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, Volume: 38, Issue: 3		2015
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Natural Sources (1)

ArticleYear
[Cytochrome P450 enzymes in biosyntheses of some plant secondary metabolites].
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, Volume: 125, Issue: 1		2005
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]