Compounds > hydrocotarnine hydrobromide
Page last updated: 2024-08-01 22:57:19

hydrocotarnine hydrobromide

Description

Cross-References

ID SourceID
PubMed CID6419942
CHEMBL ID1569495
SCHEMBL ID4281040
MeSH IDM0315850

Synonyms (33)

Synonym
nsc-99784
1,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrobromide
hydrocofarmine hbr
MLS002153904
smr001233253
NSC99784 ,
5985-00-2
PRESTWICK_267 ,
hydrocotarnine hydrobromide
HMS1569J12
dtxcid7025392
dtxsid9045392 ,
tox21_110552
CCG-38859
CHEMBL1569495
unii-xsr2nnv6tm
xsr2nnv6tm ,
5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrobromide
1,3-dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrobromide (1:1)
nsc 99784
8-methoxy-5,6-methylenedioxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide
FT-0627128
hydrocotarnine hydrobromide [mi]
NCGC00016666-06
tox21_110552_1
SCHEMBL4281040
sr-01000842151
SR-01000842151-3
4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinoline;hydrobromide
Q27293981
4-methoxy-6-methyl-2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline hydrobromide
EN300-191460
AKOS040761852

Protein Targets (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency70.7946AID485294
TDP1 proteinHomo sapiens (human)Potency4.0358AID686978
AR proteinHomo sapiens (human)Potency37.5780AID1259243
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency28.6055AID1224838; AID1224839; AID1224893
cytochrome P450 2D6Homo sapiens (human)Potency2.4545AID1645840
IDH1Homo sapiens (human)Potency0.3663AID686970
gemininHomo sapiens (human)Potency0.0820AID624296
D(3) dopamine receptor isoform eHomo sapiens (human)Potency3.1623AID720506

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
mu-type opioid receptor isoform MOR-1Homo sapiens (human)EC5092.4240AID624499
5-hydroxytryptamine receptor 2AMus musculus (house mouse)EC5076.0450AID624503

Bioassays (47)

Assay IDTitleYearJournalArticle
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096		High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405		Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508628Confirmatory qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1508629Cell Viability qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
ISSN: 1083-351X		Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
ISSN: 1083-351X		Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1508627Counterscreen qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: GLuc-NoTag assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID697853Inhibition of horse BChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
ISSN: 1464-3391		Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID697852Inhibition of electric eel AChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
ISSN: 1464-3391		Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
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
ISSN: 1521-0111		Structure-based identification of OATP1B1/3 inhibitors.
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
ISSN: 1521-0111		Structure-based identification of OATP1B1/3 inhibitors.

Research

Studies (17)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (5.88)29.6817
2010's10 (58.82)24.3611
2020's6 (35.29)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other17 (100.00%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
4-aminophenol
1
aminophenolallergen;
metabolite		2012201212.0low000010
indoleacetic acid
1
indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite		2012201212.0low000010
melatonin
1
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		2012201212.0low000010
epibatidine
1
alkaloid2012201212.0low000010
aristolochic acid i
1
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		2012201212.0low000010
5-methoxypsoralen
1
5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite		2012201212.0low000010
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone
1
1,4-benzoquinonescofactor2012201212.0low000010
3,3'-diindolylmethane
1
indolesantineoplastic agent;
P450 inhibitor		2012201212.0low000010
ellipticine
1
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		2012201212.0low000010
embelin
1
dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite		2012201212.0low000010
emodin
1
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
gossypol
1
2012201212.0low000010
hypericin
1
2012201212.0low000010
indole-3-carbinol
1
indolyl alcoholantineoplastic agent;
plant metabolite		2012201212.0low000010
nsc 664704
1
indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector		2012201212.0low000010
khellin
1
furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent		2012201212.0low000010
kinetin
1
6-aminopurines;
furans		cytokinin;
geroprotector		2012201212.0low000010
beta-lapachone
1
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		2012201212.0low000010
lavendustin a
1
aromatic amine2012201212.0low000010
lavendustin b
1
2012201212.0low000010
vitamin k 3
1
1,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical		2012201212.0low000010
methoxsalen
1
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		2012201212.0low000010
myristicin
1
organic molecular entitymetabolite2012201212.0low000010
nalidixic acid
1
1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor		2012201212.0low000010
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
1
isoquinolines2012201212.0medium000010
patulin
1
furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite		2012201212.0low000010
phloretin
1
dihydrochalconesantineoplastic agent;
plant metabolite		2012201212.0low000010
sanguinarine
1
alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent		2012201212.0low000010
streptonigrin
1
pyridines;
quinolone		antimicrobial agent;
antineoplastic agent		2012201212.0low000010
tetrahydropapaverine
1
aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound		2012201212.0low000010
theobromine
1
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2012201212.0low000010
trioxsalen
1
psoralensdermatologic drug;
photosensitizing agent		2012201212.0low000010
mitomycin
1
mitomycinalkylating agent;
antineoplastic agent		2012201212.0low000010
reserpine
1
alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic		2012201212.0low000010
pilocarpine hydrochloride
1
hydrochloride2012201212.0low000010
cantharidin
1
cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide		2012201212.0low000010
physostigmine
1
carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic		2012201212.0low000010
kanamycin a
1
kanamycinsbacterial metabolite2012201212.0low000010
veratramine
1
piperidine alkaloid2012201212.0low000010
phlorhizin
1
aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite		2012201212.0low000010
papaverine hydrochloride
1
2012201212.0low000010
colchicine
1
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2012201212.0low000010
yohimbine hydrochloride
1
2012201212.0low000010
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		2012201212.0low000010
gliotoxin
1
dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor		2012201212.0low000010
tubercidin
1
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite		2012201212.0low000010
veratridine
1
steroidsodium channel modulator2012201212.0low000010
gibberellic acid
1
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite		2012201212.0low000010
visnagin
1
aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent		2012201212.0low000010
rotenone
1
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		2012201212.0low000010
skimmianine
1
alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2012201212.0low000010
syrosingopine
1
yohimban alkaloid2012201212.0low000010
gramine
1
aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist		2012201212.0low000010
methylergonovine
1
ergoline alkaloid2012201212.0low000010
2,2'-methylenebis(4-methyl-6-tert-butylphenol)
1
diarylmethane2012201212.0low000010
indolebutyric acid
1
indol-3-yl carboxylic acidauxin;
plant hormone;
plant metabolite		2012201212.0low000010
shikimic acid
1
alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
monocrotaline
1
pyrrolizidine alkaloid2012201212.0low000010
jervine
1
piperidines2012201212.0low000010
glycyrrhetinic acid
1
cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite		2012201212.0low000010
boldine
1
aporphine alkaloid2012201212.0low000010
indirubin
1
2012201212.0low000010
plumbagin
1
hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite		2012201212.0low000010
cepharanthine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		2012201212.0low000010
aloe emodin
1
aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite		2012201212.0low000010
osthol
1
botanical anti-fungal agent;
coumarins		metabolite2012201212.0low000010
cytisine
1
alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite		2012201212.0low000010
bicuculline
1
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		2012201212.0low000010
kainic acid
1
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		2012201212.0low000010
thymoquinone
1
1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite		2012201212.0low000010
oleanolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite2012201212.0low000010
podophyllotoxin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2012201212.0low000010
hesperidin
1
3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen2012201212.0low000010
azomycin
1
C-nitro compound;
imidazoles		antitubercular agent2012201212.0low000010
Berberine chloride (TN)
1
organic molecular entity2012201212.0low000010
vincamine
1
alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent		2012201212.0low000010
muscarine
1
2012201212.0medium000010
ecdysone
1
14alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid		prohormone2012201212.0low000010
n-deacetyl-n-formylcolchicine
1
cyclic ketone2012201212.0medium000010
camptothecin
1
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		2012201212.0low000010
tetradecanoylphorbol acetate
1
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator		2012201212.0low000010
2-bromoergocryptine mesylate
1
methanesulfonate saltantiparkinson drug2012201212.0medium000010
zingerone
1
methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent		2012201212.0low000010
paclitaxel
1
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2012201212.0low000010
etoposide
1
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2012201212.0low000010
phorbol 12,13-dibutyrate
1
butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone		2012201212.0low000010
cephradine
1
beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug2012201212.0low000010
quisqualic acid
1
non-proteinogenic alpha-amino acid2012201212.0low000010
colforsin
1
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		2012201212.0low000010
swainsonine
1
indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite		2012201212.0low000010
castanospermine
1
indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite		2012201212.0low000010
daunorubicin hydrochloride
1
anthracycline2012201212.0low000010
mevastatin
1
2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite		2012201212.0low000010
ursolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite		2012201212.0low000010
norharman
1
beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite		2012201212.0low000010
betulinic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite		2012201212.0low000010
epigallocatechin gallate
1
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		2012201212.0low000010
baccatin iii
1
acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite2012201212.0low000010
taleranol
1
macrolide2012201212.0low000010
narasin
1
diterpene glycoside2012201212.0high000010
quassin
1
triterpenoid2012201212.0low000010
tomatidine
1
3beta-hydroxy steroid;
azaspiro compound;
oxaspiro compound		2012201212.0low000010
aloxistatin
1
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		2012201212.0low000010
rutecarpine
1
beta-carbolines2012201212.0low000010
bergenin
1
trihydroxybenzoic acidmetabolite2012201212.0low000010
pinocembrin
1
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		2012201212.0low000010
isoscopoletin
1
aromatic ether;
hydroxycoumarin		plant metabolite2012201212.0low000010
vinburnine
1
alkaloid2012201212.0low000010
epicatechin
1
catechin;
polyphenol		antioxidant2012201212.0low000010
hesperetin
1
3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite		2012201212.0low000010
magnolol
1
biphenyls2012201212.0low000010
honokiol
1
biphenyls2012201212.0low000010
chelerythrine chloride
1
2012201212.0low000010
betulin
1
diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite		2012201212.0low000010
tetrahydroalstonine
1
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid		plant metabolite2012201212.0high000010
hernandezine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		2012201212.0low000010
picropodophyllin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
tetrandrine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		2012201212.0low000010
dehydrocostus lactone
1
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		2012201212.0low000010
madecassic acid
1
monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite		2012201212.0low000010
panaxadiol
1
triterpenoid saponin2012201212.0low000010
tryptanthrine
1
alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		2012201212.0low000010
homoeriodictyol
1
3'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite		2012201212.0low000010
4-hydroxyindole
1
hydroxyindoles;
phenols		2012201212.0low000010
eriocitrin
1
3'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone		antioxidant2012201212.0low000010
7,8-dihydromethysticin
1
2-pyranones;
aromatic ether		2012201212.0low000010
nicotine
1
3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic		2012201212.0low000010
cinchonine
1
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite2012201212.0low000010
aucubin
1
organic molecular entitymetabolite2012201212.0low000010
lupinine
1
quinolizidine alkaloid2012201212.0low000010
matrine
1
alkaloid2012201212.0low000010
friedelin
1
cyclic terpene ketone;
pentacyclic triterpenoid		anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite		2012201212.0low000010
catalpol
1
organic molecular entitymetabolite2012201212.0low000010
quinine hydrochloride
1
2012201212.0high000010
sarsasapogenin
1
sapogenin2012201212.0low000010
corynanthine
1
yohimban alkaloid2012201212.0low000010
prunin protein, prunus
1
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite		2012201212.0low000010
podocarpic acid
1
abietane diterpenoid2012201212.0low000010
harmol hydrochloride
1
2012201212.0medium000010
5-Methoxyflavone
1
ether;
flavonoids		2012201212.0medium000010
10-hydroxycamptothecin
1
pyranoindolizinoquinoline2012201212.0low000010
corydaline
1
isoquinoline alkaloid;
isoquinolines		2012201212.0low000010
demissidine
1
alkaloid;
organic heteropolycyclic compound;
steroid		2012201212.0medium000010
cinchonidine
1
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite2012201212.0low000010
propidium iodide
1
organic iodide salt2012201212.0low000010
tryptoline
1
beta-carbolines2012201212.0low000010
deguelin
1
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		2012201212.0low000010
catechin
1
hydrategeroprotector2012201212.0medium000010
daidzin
1
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite2012201212.0low000010
cafestol
1
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite		2012201212.0low000010
parthenolide
1
germacranolide2012201212.0low000010
homoorientin
1
flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger		2012201212.0low000010
asiatic acid
1
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		2012201212.0low000010
angustmycin a
1
6-aminopurines2012201212.0low000010
razadyne
1
2012201212.0low000010
phytosphingosine
1
amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
tetradecanoylphorbol acetate
1
2012201212.0low000010
celastrol
1
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		2012201212.0low000010
4'-demethylepipodophyllotoxin
1
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent2012201212.0low000010
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
1
leucine derivative2012201212.0low000010
e 64
1
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		2012201212.0low000010
sinensetin
1
pentamethoxyflavoneplant metabolite2012201212.0low000010
harmalol hydrochloride
1
2012201212.0medium000010
hyoscyamine
1
tropane alkaloid2012201212.0low000010
schizandrin a
1
2012201212.0low000010
schizandrin b
1
aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin		anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite		2012201212.0medium000010
cryptotanshinone
1
abietane diterpenoidanticoronaviral agent2012201212.0low000010
isosakuranetin
1
(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite2012201212.0low000010
isovitexin
1
C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		2012201212.0low000010
sclareol
1
labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite		2012201212.0low000010
tanshinone ii a
1
abietane diterpenoid2012201212.0low000010
leucodin
1
sesquiterpene lactone2012201212.0low000010
limonin
1
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		2012201212.0low000010
maduramicin
1
2012201212.0low000010
chelidonine
1
alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid		2012201212.0low000010
troleandomycin
1
acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic		2012201212.0low000010
santonin
1
botanical anti-fungal agent;
santonin		plant metabolite2012201212.0low000010
sitosterol, (3beta)-isomer
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor		2012201212.0low000010
vincristine sulfate
1
organic sulfate saltantineoplastic agent;
geroprotector		2012201212.0low000010
anisomycin
1
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor		2012201212.0low000010
acetylstrophanthidin
1
acetate esteranti-arrhythmia drug2012201212.0low000010
Harringtonine
1
alkaloid2012201212.0low000010
acivicin
1
isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite		2012201212.0low000010
ketopinic acid
1
2012201212.0medium000010
wortmannin
1
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		2012201212.0low000010
gitoxigenin
1
14beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid		2012201212.0low000010
graveoline
1
quinolines2012201212.0low000010
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en
1
2012201212.0low000010
naringenin
1
(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite		2012201212.0low000010
ouabain
1
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite		2012201212.0low000010
puromycin
1
puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor		2012201212.0low000010
taxifolin
1
taxifolinmetabolite2012201212.0low000010
mimosine
1
4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite		2012201212.0low000010
eriodictyol
1
3'-hydroxyflavanones;
tetrahydroxyflavanone		2012201212.0low000010
arbutin
1
beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite		2012201212.0low000010
quinidine
1
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker		2012201212.0low000010
conessine
1
steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite		2012201212.0low000010
griseofulvin
1
1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite		2012201212.0low000010
digitoxin
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2012201212.0low000010
hyperforin
1
2012201212.0low000010
deltaline
1
acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound		2012201212.0high000010
ingenol
1
cyclic terpene ketone;
tetracyclic diterpenoid		2012201212.0low000010
picrotin
1
diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite2012201212.0low000010
picrotoxinin
1
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist		2012201212.0low000010
naringin
1
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite		2012201212.0low000010
isonaringin
1
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite		2012201212.0low000010
ochratoxin a
1
isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent		2012201212.0low000010
gingerol
1
beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite		2012201212.0low000010
securinine
1
indolizines2012201212.0low000010
Dubinidine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2012201212.0low000010
cyclopamine
1
piperidinesglioma-associated oncogene inhibitor2012201212.0low000010
doxorubicin hydrochloride
1
anthracycline2012201212.0low000010
vinpocetine
1
alkaloidgeroprotector2012201212.0low000010
dihydroergocristine monomesylate
1
methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent		2012201212.0low000010
tretinoin
1
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		2012201212.0low000010
resveratrol
1
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		2012201212.0low000010
ferulic acid
1
ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite		2012201212.0low000010
thapsigargin
1
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2012201212.0low000010
mycophenolic acid
1
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		2012201212.0low000010
alitretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist		2012201212.0low000010
L-cycloserine
1
4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor		2012201212.0low000010
12-deoxyphorbol 13-acetate
1
phorbol estermetabolite2012201212.0low000010
dactinomycin
1
actinomycinmutagen2012201212.0low000010
aphidicolin
1
tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite		2012201212.0low000010
(+)-usnic acid
1
usnic acid2012201212.0low000010
beta, beta-dimethylacrylshikonin, (+)-isomer
1
hydroxy-1,4-naphthoquinone2012201212.0medium000010
shikonin
1
hydroxy-1,4-naphthoquinone2012201212.0low000010
rhapontin
1
rhaponticinangiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite		2012201212.0low000010
piperine
1
benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite		2012201212.0low000010
rauwolscine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylate2012201212.0low000010
amygdalin
1
amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite		2012201212.0low000010
hydrastine, (r-(r*,s*))-isomer
1
isoquinolines2012201212.0low000010
vasicine
1
2012201212.0low000010
3,3',4,5'-tetrahydroxystilbene
1
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		2012201212.0low000010
caffeic acid
1
caffeic acidgeroprotector;
mouse metabolite		2012201212.0low000010
cotinine
1
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		2012201212.0low000010
heliotrine
1
pyrrolizines2012201212.0low000010
sclareolide
1
naphthofuran2012201212.0low000010
hypocrellin b
1
2012201212.0low000010
capsaicin
1
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker		2012201212.0low000010
aurapten
1
coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary		2012201212.0low000010
chlorogenic acid
1
cinnamate ester;
tannin		food component;
plant metabolite		2012201212.0low000010
fumonisin b2
1
diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent		2012201212.0low000010
lincomycin
1
carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite		2012201212.0low000010
valinomycin
1
cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore		2012201212.0low000010
orlistat
1
beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor		2012201212.0low000010
12-deoxyphorbolphenylacetate-20-acetate
1
2012201212.0low000010
brassinin
1
dithiocarbamic ester;
indole phytoalexin		2012201212.0low000010
chaetomellic acid a
1
2012201212.0low000010
hirsutine
1
2012201212.0low000010
3-deoxyvasicine, hydrochloride
1
2012201212.0medium000010
emetine dihydrochloride
1
hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor		2012201212.0low000010
salinomycin
1
polyketide;
spiroketal		animal growth promotant;
potassium ionophore		2012201212.0low000010
silybin
1
2012201212.0low000010
5,6-dehydrokawain
1
2-pyranones;
aromatic ether		2012201212.0low000010
9,10-dihydrolysergol
1
2012201212.0low000010
geranylgeranic acid
1
alpha,beta-unsaturated monocarboxylic acid;
diterpenoid;
methyl-branched fatty acid;
trienoic fatty acid		2012201212.0low000010
quercetin
1
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		2012201212.0low000010
dinoprostone
1
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		2012201212.0low000010
dinoprost
1
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		2012201212.0low000010
biochanin a
1
4'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
formononetin
1
4'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant metabolite		2012201212.0low000010
prostaglandin b1
1
prostaglandins Bhuman metabolite2012201212.0low000010
sterigmatocystin
1
sterigmatocystinsmetabolite2012201212.0low000010
vitexin
1
C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor		2012201212.0low000010
acacetin
1
dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite		2012201212.0low000010
apigenin
1
trihydroxyflavoneantineoplastic agent;
metabolite		2012201212.0low000010
luteolin
1
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		2012201212.0low000010
quercitrin
1
alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite		2012201212.0low000010
scopoletin
1
hydroxycoumarinplant growth regulator;
plant metabolite		2012201212.0low000010
hymecromone
1
hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor		2012201212.0low000010
alprostadil
1
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		2012201212.0low000010
quercetin 3-o-glucopyranoside
1
beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite		2012201212.0low000010
rutin
1
disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite		2012201212.0low000010
kaempferol
1
7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite		2012201212.0low000010
senecionine
1
lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite2012201212.0low000010
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
amphotericin b
1
antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite		2012201212.0low000010
butein
1
chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor		2012201212.0low000010
sulfuretin
1
1-benzofurans2012201212.0low000010
genistin
1
7-hydroxyisoflavones 7-O-beta-D-glucoside2012201212.0low000010
chartreusin
1
benzochromenone;
glycoside		2012201212.0low000010
methysticin
1
2-pyranones;
aromatic ether		2012201212.0high000010
yangonin
1
2-pyranones;
aromatic ether		2012201212.0low000010
zearalenone
1
macrolide;
resorcinols		fungal metabolite;
mycoestrogen		2012201212.0low000010
baicalein
1
trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger		2012201212.0low000010
chrysin
1
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		2012201212.0low000010
datiscetin
1
7-hydroxyflavonol;
tetrahydroxyflavone		2012201212.0low000010
diosmetin
1
3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent		2012201212.0low000010
diosmin
1
dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant		2012201212.0low000010
fisetin
1
3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite		2012201212.0low000010
galangin
1
7-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite		2012201212.0low000010
3-methylquercetin
1
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite		2012201212.0low000010
morin
1
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent		2012201212.0low000010
myricetin
1
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		2012201212.0low000010
rhamnetin
1
monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite		2012201212.0low000010
robinetin
1
7-hydroxyflavonol;
pentahydroxyflavone		plant metabolite2012201212.0low000010
tamarixetin
1
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite		2012201212.0low000010
wogonin
1
dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite		2012201212.0low000010
coumestrol
1
coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite		2012201212.0low000010
daidzein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		2012201212.0low000010
caffeic acid phenethyl ester
1
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		2012201212.0low000010
rosmarinic acid
1
rosmarinic acidgeroprotector;
plant metabolite		2012201212.0low000010
wedelolactone
1
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		2012201212.0low000010
rottlerin
1
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		2012201212.0low000010
ellagic acid
1
catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent		2012201212.0low000010
7-hydroxyflavone
1
hydroxyflavonoid2012201212.0low000010
prostaglandin a1
1
prostaglandins A2012201212.0low000010
cerulenin
1
epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor		2012201212.0low000010
rhoifolin
1
dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite2012201212.0low000010
vitexin rhamnoside
1
C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone		plant metabolite2012201212.0medium000010
domoic acid
1
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin		2012201212.0low000010
isotretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2012201212.0low000010
cyclosporine
1
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		2012201212.0low000010
natamycin
1
antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug		2012201212.0low000010
sirolimus
1
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		2012201212.0low000010
brefeldin a
1
macrolide antibioticPenicillium metabolite2012201212.0low000010
cytochalasin b
1
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor		2012201212.0low000010
vinorelbine
1
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent		2012201212.0low000010
bisdemethoxycurcumin
1
beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite		2012201212.0low000010
andrographolide
1
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		2012201212.0low000010
isorhamnetin 3-o-glucoside
1
beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite2012201212.0low000010
6,7-dihydroxyflavone
1
2012201212.0low000010
flavokawain a
1
chalcones2012201212.0low000010
flavokawain b
1
chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		2012201212.0low000010
kavain
1
racemateglycine receptor antagonist2012201212.0low000010
abscisic acid, (+,-)-isomer
1
abscisic acidsabscisic acid receptor agonist2012201212.0medium000010
veratrine
1
alkaloid2012201212.0low000010
vinblastine sulfate
1
2012201212.0low000010
catharanthine
1
alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		2012201212.0low000010
cytochalasin e
1
cytochalasan alkaloidmetabolite2012201212.0low000010
cytochalasin d
1
2012201212.0medium000010
sinomenine
1
morphinane alkaloid2012201212.0low000010
ecdysterone
1
14alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite		2012201212.0low000010
bleomycin
1
bleomycinantineoplastic agent;
metabolite		2012201212.0low000010
bakuchiol
1
2012201212.0low000010
zerumbone
1
cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite		2012201212.0low000010
solanesol
1
nonaprenol;
primary alcohol		plant metabolite2012201212.0low000010
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
1
yohimban alkaloid2012201212.0high000010
n-caproylsphingosine
1
N-acylsphingosine2012201212.0low000010
monorden
1
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		2012201212.0low000010
ginkgolide b
1
2012201212.0low000010
homatropine hydrobromide, (endo-(+-)-isomer)
1
2012201212.0low000010
salsolinol hydrobromide
1
2012201212.0medium000010
lasalocid sodium
1
benzoates;
organic sodium salt		coccidiostat;
ionophore		2012201212.0low000010
sclerotiorin
1
azaphilone2012201212.0low000010
himbacine
1
gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid		muscarinic antagonist2012201212.0low000010
ebelactone b
1
2012201212.0low000010
3-o-methylbutein
1
chalcones2012201212.0medium000010
thermozymocidin
1
alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent		2012201212.0low000010
marein
1
flavonoids;
glycoside		2012201212.0low000010
hydroxyachillin
1
gamma-lactone2012201212.0medium000010
butylscopolammonium bromide
1
2012201212.0low000010
fumagillin
1
antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor		2012201212.0low000010
artesunate
1
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		2012201212.0low000010
anisodamine
1
2012201212.0medium000010
bufalin
1
14beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug		2012201212.0low000010
alpha-solanine
1
glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite		2012201212.0medium000010
apigenin-7-o-rutinoside
1
2012201212.0medium000010
gambogic acid
1
pyranoxanthonesmetabolite2012201212.0low000010
bn 52020
1
2012201212.0low000010
carmine
1
C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye		2012201212.0low000010
bavachinin
1
flavanones2012201212.0low000010
grayanotoxin iii
1
2012201212.0low000010
Dihydrotanshinone I
1
abietane diterpenoidanticoronaviral agent2012201212.0low000010
calcimycin
1
benzoxazole2012201212.0low000010
cinobufagin
1
steroid lactone2012201212.0low000010
atropine sulfate
1
2012201212.0low000010
cannogenin thevetoside
1
cardenolide glycoside2012201212.0low000010
eriodictyol 7-O-beta-D-glucopyranoside
1
beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger		2012201212.0medium000010
hypocrellin a
1
2012201212.0low000010
dihydrorobinetin
1
2012201212.0high000010
monensin
1
2012201212.0medium000010
minocycline
1
2012201212.0low000010
dicumarol
1
hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist		2012201212.0low000010
citrinin
1
2012201212.0low000010
vulpinic acid
1
butenolide2012201212.0low000010
ajmaline
1
2012201212.0medium000010
rifampin
1
cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor		2012201212.0low000010
alpha-cyclopiazonic acid
1
alpha-cyclopiazonic acids2012201212.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Congenital Zika Syndrome0
1
202020204.0medium000010
Disease Models, Animal0
1
202020204.0medium000010
Encephalitis, Polio0
1
2011201113.0medium000010
Inflammation0
1
2010201014.0medium000100
Innate Inflammatory Response0
1
2010201014.0medium000100
Poliomyelitis0
1
2011201113.0medium000010
Zika Virus Infection0
1
202020204.0medium000010

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
The Journal of biological chemistry, , 11-15, Volume: 294, Issue:46		2019