Compounds > acronine
Page last updated: 2024-09-27

acronine

Description

Acronine: A pyrano-acridone alkaloid found in RUTACEAE plants. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

acronycine : An alkaloid antineoplastic agent isolated from Acronychia baueri. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

FloraRankFlora DefinitionFamilyFamily Definition
Acronychiagenus[no description available]RutaceaeA plant family in the order Sapindales that grows in warmer regions and has conspicuous flowers.[MeSH]
RutaceaefamilyA plant family in the order Sapindales that grows in warmer regions and has conspicuous flowers.[MeSH]RutaceaeA plant family in the order Sapindales that grows in warmer regions and has conspicuous flowers.[MeSH]

Cross-References

ID SourceID
PubMed CID345512
CHEMBL ID285852
CHEBI ID2437
SCHEMBL ID11499
MeSH IDM0000264

Synonyms (54)

Synonym
7h-pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-
NCI60_003795
3,3,12-trimethyl-6-(methyloxy)-3,12-dihydro-7h-pyrano[2,3-c]acridin-7-one
3,12-dihydro-6-methoxy-3,3,12-trimethyl-7h-pyrano[2,3-c]acridin-7-one
6-methoxy-3,3,12-trimethyl-3,12-dihydro-7h-pyrano[2,3-c]acridin-7-one
CHEBI:2437 ,
nci-c01536
acromycine
6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one
NSC403169 ,
7h-pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl
compound 42339
3,6,12-trimethyl-7h-pyrano[2,3-c]acridin-7-one
3,3,12-trimethyl-7h-pyrano[2,3-c]acridin-7-one
nsc 403169
mls003171532 ,
7h-pyrano[2, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-
nsc-403169
7h-pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-
3,12-dihydro-6-methoxy-3,3,12-trimethyl-7h-pyrano(2,3-c)acridin-7-one
acronine [usan:inn]
acronina [inn-spanish]
hsdb 7073
3,12-dihydro-6-methoxy-6,6,12-trimethyl-7h-pyrano(2,3-c)acridin-7-one
acroninum [inn-latin]
brn 0312954
ccris 6
acronine
7008-42-6
acronycine
acronine (tn)
acronine (usan/inn)
D02378
CHEMBL285852
6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
smr001875415
qe0g097358 ,
unii-qe0g097358
4-27-00-03622 (beilstein handbook reference)
acronina
acroninum
SCHEMBL11499
compound-42339
acronine [usan]
acronine [inn]
acronine [hsdb]
7h-pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-methoxy-3,3,12-trimethyl-
SMPZPKRDRQOOHT-UHFFFAOYSA-N
DTXSID0020026
bdbm50480253
3,12-dihydro-6-methoxy-3,3,12-trimethyl-7h -pyrano-[2,3-c]acridine-7-one
Q15633955
AKOS040740281
acronycine (acronine)

Roles (2)

RoleDescription
antineoplastic agentA substance that inhibits or prevents the proliferation of neoplasms.
metaboliteAny intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (2)

ClassDescription
acridone derivativesAny cyclic ketone that is derived from acridone.
alkaloidAny of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids.
[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]

Bioassays (41)

Assay IDTitleYearJournalArticle
AID265925Antiproliferative activity against mouse L1210 cell line by MTT assay2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis, antitumor activity, and mechanism of action of benzo[a]pyrano[3,2-h]acridin-7-one analogues of acronycine.
AID1170198Induction of cell cycle arrest in mouse L1210 cells assessed as accumulation at S phase at 5 uM incubated for 21 hrs by propidium iodide staining based flow cytometry (Rvb = 32%)2014Journal of medicinal chemistry, Dec-26, Volume: 57, Issue:24
Synthesis, antitumor activity, and mechanism of action of benzo[b]chromeno[6,5-g][1,8]naphthyridin-7-one analogs of acronycine.
AID54438In vitro inhibition of calf thymus DNA/ethidium bromide complex formation.2002Journal of medicinal chemistry, Jun-06, Volume: 45, Issue:12
Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents.
AID538298Antioxidant activity assessed as DPPH free radical scavenging activity2010European journal of medicinal chemistry, Nov, Volume: 45, Issue:11
Structure-activity relationship studies of acridones as potential antipsoriatic agents. 2. Synthesis and antiproliferative activity of 10-substituted hydroxy-10H-acridin-9-ones against human keratinocyte growth.
AID85756In vitro cytotoxic activity against human colon HT-29 cell line2002Journal of medicinal chemistry, Jun-06, Volume: 45, Issue:12
Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents.
AID538295Antiproliferative activity against human HaCaT cells assessed as dispersed cells after 48 hrs by phase-contrast microscopic analysis2010European journal of medicinal chemistry, Nov, Volume: 45, Issue:11
Structure-activity relationship studies of acridones as potential antipsoriatic agents. 2. Synthesis and antiproliferative activity of 10-substituted hydroxy-10H-acridin-9-ones against human keratinocyte growth.
AID50574Compound was tested for antitumor activity against colon 38 adenocarcinoma cells at the dose of 200 mg/kg ip.1996Journal of medicinal chemistry, Nov-22, Volume: 39, Issue:24
Synthesis and cytotoxic and antitumor activity of esters in the 1,2-dihydroxy-1,2-dihydroacronycine series.
AID8290In vitro cytotoxic activity against human lung A549 cell line)2002Journal of medicinal chemistry, Jun-06, Volume: 45, Issue:12
Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents.
AID98539Compound was tested in vitro for cytotoxicity on L1210 leukemic cells by using MTT assay.1996Journal of medicinal chemistry, Nov-22, Volume: 39, Issue:24
Synthesis and cytotoxic and antitumor activity of esters in the 1,2-dihydroxy-1,2-dihydroacronycine series.
AID344960Cytotoxicity against human KB-3-1 cells after 96 hrs by MTT assay2008Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22
Synthesis, cytotoxic activity, and mechanism of action of furo[2,3-c]acridin-6-one and benzo[b]furo[3,2-h]acridin-6-one analogues of psorospermin and acronycine.
AID397122Inhibition of HIV1 RT
AID1170199Induction of 117-bp DNA (unknown origin) alkylation incubated for 5 mins to 24 hrs by gel shift assay2014Journal of medicinal chemistry, Dec-26, Volume: 57, Issue:24
Synthesis, antitumor activity, and mechanism of action of benzo[b]chromeno[6,5-g][1,8]naphthyridin-7-one analogs of acronycine.
AID399706Cytotoxicity against mouse L1210 cells after 48 hrs by MMT assay1998Journal of natural products, Feb, Volume: 61, Issue:2
Synthesis and biological activity of esters in the trans-1,2-dihydroxy-1,2-dihydroacronycine series.
AID265932Alkylation of DNA at 50 uM by gel shift assay2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis, antitumor activity, and mechanism of action of benzo[a]pyrano[3,2-h]acridin-7-one analogues of acronycine.
AID422022Antitumor activity against mouse P388 cells xenografted in B6D2F1 mouse assessed as median survival at 200 mg/kg, ip relative to control2009Journal of natural products, Mar-27, Volume: 72, Issue:3
Antitumor psoropermum xanthones and sarcomelicope acridones: privileged structures implied in DNA alkylation.
AID54441In vitro calf thymus DNA binding affinity by ethidium bromide displacement2002Bioorganic & medicinal chemistry letters, Jun-03, Volume: 12, Issue:11
Design and synthesis of some new pyranoxanthenone aminoderivatives with cytotoxic activity.
AID1351964Cell cycle arrest in mouse L1210 cells assessed accumulation of cells at G2/M phase at 50 uM after 21 hrs by propidium iodide staining-based flow cytometric analysis2018European journal of medicinal chemistry, Feb-10, Volume: 145Substituted tetrahydroisoquinolines: synthesis, characterization, antitumor activity and other biological properties.
AID84546In vitro cytotoxic activity against human colon HRT-18 cell line2002Journal of medicinal chemistry, Jun-06, Volume: 45, Issue:12
Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents.
AID1351949Cytotoxicity against mouse L1210 cells after 48 hrs by coulter counter method2018European journal of medicinal chemistry, Feb-10, Volume: 145Substituted tetrahydroisoquinolines: synthesis, characterization, antitumor activity and other biological properties.
AID422017Cytotoxicity against mouse L1210 cells2009Journal of natural products, Mar-27, Volume: 72, Issue:3
Antitumor psoropermum xanthones and sarcomelicope acridones: privileged structures implied in DNA alkylation.
AID399713Antitumor activity against mouse P388 cells implanted in B6D2F1 mouse assessed as median survival time at 200 mg/kg, ip relative to control1998Journal of natural products, Feb, Volume: 61, Issue:2
Synthesis and biological activity of esters in the trans-1,2-dihydroxy-1,2-dihydroacronycine series.
AID121534Optimal therapeutic effect without toxicity in mice inoculated ip with P388 cells on day 0 with 200 mg/kg ip of compound on day 12000Journal of medicinal chemistry, Jun-15, Volume: 43, Issue:12
Synthesis and cytotoxic and antitumor activity of benzo[b]pyrano[3, 2-h]acridin-7-one analogues of acronycine.
AID1170197Cytotoxicity against human KB-3-1 cells after 96 hrs by MTT assay2014Journal of medicinal chemistry, Dec-26, Volume: 57, Issue:24
Synthesis, antitumor activity, and mechanism of action of benzo[b]chromeno[6,5-g][1,8]naphthyridin-7-one analogs of acronycine.
AID94420In vitro inhibition of L1210 cell proliferation.2000Journal of medicinal chemistry, Jun-15, Volume: 43, Issue:12
Synthesis and cytotoxic and antitumor activity of benzo[b]pyrano[3, 2-h]acridin-7-one analogues of acronycine.
AID80389In vitro cytotoxic activity against human colon HCT116 cell line2002Journal of medicinal chemistry, Jun-06, Volume: 45, Issue:12
Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents.
AID84475Inhibitory concentration of compound against proliferation of colon carcinoma HT-29 cell line2002Bioorganic & medicinal chemistry letters, Jun-03, Volume: 12, Issue:11
Design and synthesis of some new pyranoxanthenone aminoderivatives with cytotoxic activity.
AID265926Antiproliferative activity against human KB-3-1 cell line by MTT assay2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis, antitumor activity, and mechanism of action of benzo[a]pyrano[3,2-h]acridin-7-one analogues of acronycine.
AID152502Compound was tested for antitumor activity against P388 leukemia cells at the dose of 200 mg/kg ip.1996Journal of medicinal chemistry, Nov-22, Volume: 39, Issue:24
Synthesis and cytotoxic and antitumor activity of esters in the 1,2-dihydroxy-1,2-dihydroacronycine series.
AID357846Binding affinity to yeast tRNA assessed as reduction in tRNA peak by pre-incubation method
AID96475In vitro cytotoxic activity against murine leukemia cell line L12102002Journal of medicinal chemistry, Jun-06, Volume: 45, Issue:12
Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents.
AID357845Binding affinity to calf thymus DNA assessed as reduction in DNA peak by pre-incubation method
AID344961Cell cycle arrest in mouse L1210 cells assessed as accumulation at G2M phase at 50 uM after 21 hrs2008Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22
Synthesis, cytotoxic activity, and mechanism of action of furo[2,3-c]acridin-6-one and benzo[b]furo[3,2-h]acridin-6-one analogues of psorospermin and acronycine.
AID98355Inhibitory concentration of compound against proliferation of murine leukemia L1210 cell line2002Bioorganic & medicinal chemistry letters, Jun-03, Volume: 12, Issue:11
Design and synthesis of some new pyranoxanthenone aminoderivatives with cytotoxic activity.
AID9065Inhibitory concentration of compound against proliferation of lung carcinoma A549 cell line2002Bioorganic & medicinal chemistry letters, Jun-03, Volume: 12, Issue:11
Design and synthesis of some new pyranoxanthenone aminoderivatives with cytotoxic activity.
AID101659In vitro cytotoxic activity against human breast MDA-MB-231 cell line; NT is not tested2002Journal of medicinal chemistry, Jun-06, Volume: 45, Issue:12
Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents.
AID89338Ability to inhibit human leukemic HL-60 cell growth in culture1992Journal of medicinal chemistry, Jul-10, Volume: 35, Issue:14
Synthesis of the acridone alkaloids glyfoline and congeners. Structure-activity relationship studies of cytotoxic acridones.
AID344959Cytotoxicity against mouse L1210 cells after 48 hrs by MTT assay2008Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22
Synthesis, cytotoxic activity, and mechanism of action of furo[2,3-c]acridin-6-one and benzo[b]furo[3,2-h]acridin-6-one analogues of psorospermin and acronycine.
AID379098Cytotoxicity against mouse L1210 cells after 48 hrs by MMT assay1999Journal of natural products, Mar, Volume: 62, Issue:3
Chiral dihydroxylation of acronycine: absolute configuration of natural cis-1,2-dihydroxy-1,2-dihydroacronycine and cytotoxicity of (1R,2R)- and (1S,2S)-1,2-diacetoxy-1,2-dihydroacronycine.
AID538296Cytotoxicity against human HaCaT cells assessed as LDH release at 2 uM after 4 hrs by UV method2010European journal of medicinal chemistry, Nov, Volume: 45, Issue:11
Structure-activity relationship studies of acridones as potential antipsoriatic agents. 2. Synthesis and antiproliferative activity of 10-substituted hydroxy-10H-acridin-9-ones against human keratinocyte growth.
AID1170196Cytotoxicity against mouse L1210 cells after 48 hrs by MTT assay2014Journal of medicinal chemistry, Dec-26, Volume: 57, Issue:24
Synthesis, antitumor activity, and mechanism of action of benzo[b]chromeno[6,5-g][1,8]naphthyridin-7-one analogs of acronycine.
AID422026Antitumor activity against human Colon 38 cells xenografted in B6D2F1 mouse assessed as tumor growth at 200 mg/kg, ip relative to control2009Journal of natural products, Mar-27, Volume: 72, Issue:3
Antitumor psoropermum xanthones and sarcomelicope acridones: privileged structures implied in DNA alkylation.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (83)

TimeframeStudies, This Drug (%)All Drugs %
pre-199018 (21.69)18.7374
1990's13 (15.66)18.2507
2000's41 (49.40)29.6817
2010's11 (13.25)24.3611
2020's0 (0.00)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%
Reviews13 (14.13%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other79 (85.87%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
glyfoline[no description available]medium10
ellipticine[no description available]medium50indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
papaverine[no description available]medium30benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
suramin[no description available]medium10naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
vincristine[no description available]medium20acetate 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
phenylephrine[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
androstenedione[no description available]medium1017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
colchicine[no description available]medium20alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
rotenone[no description available]medium10organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
sparteine, (7r-(7alpha,7aalpha,14alpha,14abeta))-isomer[no description available]medium10
deserpidine[no description available]medium10alkaloid ester;
benzoate ester;
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
2,5-dimethyl-4-benzoquinone[no description available]medium10
monocrotaline[no description available]medium10pyrrolizidine alkaloid
boldine[no description available]medium10aporphine alkaloid
dihydroberberine[no description available]medium10alkaloid
Berberine chloride (TN)[no description available]medium10organic molecular entity
vinblastine[no description available]medium20
thalicarpine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
camptothecin[no description available]high40delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
nitidine chloride[no description available]medium10
tomatine[no description available]medium10alkaloid antibiotic;
glycoalkaloid;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
immunological adjuvant;
phytotoxin
daunorubicin[no description available]high30aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
canadine[no description available]medium10aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
paclitaxel[no description available]high20taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
swainsonine[no description available]medium10indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
rotenolone[no description available]medium10organic molecular entitymetabolite
tetrahydropalmatine[no description available]medium10an (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound		adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
chelerythrine chloride[no description available]medium10
plumieride[no description available]medium10glycoside
coptisine[no description available]medium10
betulin[no description available]medium10diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
tetrahydroalstonine[no description available]medium10methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid		plant metabolite
tubulosine[no description available]medium10beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
hernandezine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
9-methoxyellipticine[no description available]medium10
beta-amyrin[no description available]medium10pentacyclic triterpenoid;
secondary alcohol		Aspergillus metabolite;
plant metabolite
tingenin b[no description available]medium10
jacaranone[no description available]medium20
4beta-Hydroxywithanolide E[no description available]medium10withanolide
cinchonine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
corynanthine[no description available]medium10yohimban alkaloid
limonin[no description available]medium10epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
chelidonine[no description available]medium10alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
hydrastine[no description available]medium10isoquinolinesmetabolite
aspidospermine[no description available]medium10indole alkaloid
aricine[no description available]medium10methyl ester;
yohimban alkaloid
Harringtonine[no description available]medium10alkaloid
indicine-n-oxide[no description available]medium10
homoharringtonine[no description available]high20alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
jatrorrhizine chloride[no description available]medium10
ouabain[no description available]medium1011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
ginsenoside re[no description available]medium1012beta-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
raubasine[no description available]medium10methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
brucine[no description available]medium10monoterpenoid indole alkaloid;
organic heteroheptacyclic compound
stevioside[no description available]medium10beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent
steviol[no description available]medium20bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent
quinidine sulfate[no description available]medium10
hirsutine, (16e,20beta)-isomer[no description available]high10alkaloidmetabolite
quercetin[no description available]medium107-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
stigmasterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol		plant metabolite
kaempferol[no description available]medium107-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
senecionine[no description available]medium10lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
bruceantin[no description available]medium10triterpenoid
esculin[no description available]medium10beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite
fulvoplumierin[no description available]medium10carbonyl compound;
pyrans
plumericin[no description available]medium10terpene lactone
genkwanin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		metabolite
seneciphylline[no description available]medium10pyrrolizine alkaloid
maytansine[no description available]high20alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator
heliparvifoline[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
ellagic acid[no description available]medium10catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
tiliroside[no description available]medium10cinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		plant metabolite
5,4'-dihydroxy-7,3'-dimethoxyflavone[no description available]medium10dihydroxyflavone;
dimethoxyflavone		anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite
pericalline[no description available]medium10
emetine hydrochloride[no description available]medium10
ginsenoside rb1[no description available]medium10ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
nomilin[no description available]medium10
tannins[no description available]medium10tannin
ajmaline[no description available]medium10
aminacrine[no description available]medium10aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen
podophyllotoxin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
ethidium bromide[no description available]medium10organic bromide saltgeroprotector;
intercalator;
trypanocidal drug
kaurenoic acid[no description available]medium10ent-kaurane diterpenoidanti-HIV-1 agent;
antineoplastic agent;
plant metabolite
parthenolide[no description available]medium10germacranolide
dactinomycin[no description available]medium10actinomycinmutagen
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
mitoxantrone[no description available]medium20dihydroxyanthraquinoneanalgesic;
antineoplastic agent
psorospermin[no description available]medium40epoxide;
organic heterotetracyclic compound;
xanthones		antineoplastic agent;
plant 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]medium10polyphenol;
xanthones		anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite
acridone[no description available]medium20acridines;
cyclic ketone
anthralin[no description available]medium10anthracenesantipsoriatic
rd6 5071[no description available]medium10acridines
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
benzofurans[no description available]medium10
caffeine[no description available]medium10purine 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
urea[no description available]medium10isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiophenes[no description available]medium10mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
guanine[no description available]medium202-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
acridines[no description available]medium100acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
buthionine sulfoximine[no description available]medium10diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
carbamates[no description available]medium10amino-acid anion
benzene[no description available]medium10aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
thioacridone[no description available]medium20acridines
xanthenes[no description available]medium20xanthene
1,7-phenanthroline[no description available]medium20phenanthroline
benzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
apocodeine[no description available]medium10
lergotrile[no description available]medium10organic heterotetracyclic compound;
organonitrogen heterocyclic compound
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ergoline[no description available]medium10diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound
cytochalasin b[no description available]medium10cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
podophyllin[no description available]medium10
glycosides[no description available]medium10
fagaronine[no description available]medium10benzophenanthridine alkaloidmutagen
thiazolyl blue[no description available]medium10organic bromide saltcolorimetric reagent;
dye
thiazoles[no description available]medium201,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
bromodeoxyuridine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
clidanac[no description available]medium10organic molecular entity
danazol[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
fenclozic acid[no description available]medium10
uridine[no description available]medium30uridinesdrug metabolite;
fundamental metabolite;
human metabolite
thymidine[no description available]medium20pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
cadaverine[no description available]medium10alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
11-hydroxynoracronycine[no description available]medium10acridinesmetabolite
leucine[no description available]medium10amino 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
isomethyleugenol[no description available]medium20isomethyleugenol
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
aminolevulinic acid[no description available]low004-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
gallic acid[no description available]low00trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
perillic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid		antineoplastic agent;
human metabolite;
mouse metabolite
pk 11195[no description available]low00aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent
pd 173074[no description available]low00aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
aminopropionitrile[no description available]low00aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
5-(n,n-hexamethylene)amiloride[no description available]low00aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker
7,8-dihydroxyflavone[no description available]low00dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
ro 48-8071[no description available]low00aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor
rtki cpd[no description available]low00aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
alfuzosin[no description available]low00monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
am 251[no description available]low00amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist
am 580[no description available]low00amidobenzoic acid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist
aminoglutethimide[no description available]low00dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
amsacrine[no description available]low00acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole[no description available]low00nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
azathioprine[no description available]low00aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelaic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
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
buformin[no description available]low00biguanidesantineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent
busulfan[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
camostat[no description available]low00benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
carmustine[no description available]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
cgs 15943[no description available]low00aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline		adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant
chelerythrine[no description available]low00benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
chlorambucil[no description available]low00aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
ci 994[no description available]low00acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
ciglitazone[no description available]low00aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cl 387785[no description available]low00bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
clioquinol[no description available]low00monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clofibric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
dacarbazine[no description available]low00imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug
dequalinium[no description available]low00quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
3,3'-diindolylmethane[no description available]low00indolesantineoplastic agent;
P450 inhibitor
disulfiram[no description available]low00organic 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
doxazosin[no description available]low00aromatic 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]low00benzoselenazoleanti-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
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
etanidazole[no description available]low00C-nitro compound;
imidazoles;
monocarboxylic acid amide		alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent
etidronate[no description available]low001,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
fluorouracil[no description available]low00nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
flutamide[no description available]low00(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
miltefosine[no description available]low00phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
beta-thujaplicin[no description available]low00cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
hydroxyurea[no description available]low00one-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
ifosfamide[no description available]low00ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
indole-3-carbinol[no description available]low00indolyl alcoholantineoplastic agent;
plant metabolite
beta-lapachone[no description available]low00benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]low00(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
letrozole[no description available]low00nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lomustine[no description available]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
6-anilino-5,8-quinolinedione[no description available]low00aminoquinoline;
aromatic amine;
p-quinones;
quinolone		antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]low00benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
meclofenamic acid[no description available]low00aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
vitamin k 3[no description available]low001,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
methoxsalen[no description available]low00aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
nocodazole[no description available]low00aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
midazolam[no description available]low00imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
entinostat[no description available]low00benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
n(1), n(12)-diethylspermine[no description available]low00polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine		antineoplastic agent
nilutamide[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nortriptyline[no description available]low00organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide[no description available]low00aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor
oxyphenbutazone[no description available]low00phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
pd 158780[no description available]low00aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
4-phenylbutyric acid[no description available]low00monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
oxophenylarsine[no description available]low00arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
phloretin[no description available]low00dihydrochalconesantineoplastic agent;
plant metabolite
pipobroman[no description available]low00N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent
pj-34[no description available]low00phenanthridines;
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
procarbazine[no description available]low00benzamides;
hydrazines		antineoplastic agent
salicylsalicylic acid[no description available]low00benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
semustine[no description available]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent
imatinib[no description available]low00aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
streptonigrin[no description available]low00pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
SU6656[no description available]low00oxindoles;
sulfonamide		antineoplastic agent;
Aurora kinase inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
vorinostat[no description available]low00dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulforaphane[no description available]low00isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
temozolomide[no description available]low00imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terazosin[no description available]low00furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
2,2'-thiodiethanol[no description available]low00aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent
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
troglitazone[no description available]low00chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]low00aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
mitomycin[no description available]low00mitomycinalkylating agent;
antineoplastic agent
prednisolone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
floxuridine[no description available]low00nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
prednisone[no description available]low0011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
estrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
azauridine[no description available]low00N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
mechlorethamine hydrochloride[no description available]low00hydrochlorideantineoplastic agent
allyl isothiocyanate[no description available]low00alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite
methyltestosterone[no description available]low0017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
dromostanolone[no description available]low0017beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent
tributyrin[no description available]low00butyrate ester;
triglyceride		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent
ethyl methanesulfonate[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent
triaziquone[no description available]low001,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent
tubercidin[no description available]low00antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
trifluridine[no description available]low00nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate[no description available]low0020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
fluoxymesterone[no description available]low0011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent
acetopyrrothine[no description available]low00acetamides;
dithiolopyrrolone antibiotic		angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin
phenformin[no description available]low00biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
dibenzoylmethane[no description available]low00aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite
suramin sodium[no description available]low00organic sodium saltangiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
pyrazolanthrone[no description available]low00anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
diazooxonorleucine[no description available]low00amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid		analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist
azacitidine[no description available]low00N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
diazomethane[no description available]low00diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
procarbazine hydrochloride[no description available]low00hydrochlorideantineoplastic agent
naphthazarin[no description available]low00hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
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
lucanthone[no description available]low00thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
plumbagin[no description available]low00hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
aloe emodin[no description available]low00aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
emetine[no description available]low00isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
thymoquinone[no description available]low001,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
physcione[no description available]low00dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite
dequalinium chloride[no description available]low00organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
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
formestane[no description available]low0017-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene[no description available]low00chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
megestrol acetate[no description available]low0020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
toyocamycin[no description available]low00antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
2-hydroxyacetanilide[no description available]low00acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
methoxyacetic acid[no description available]low00ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
hadacidin[no description available]low00aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
2-fluoroadenine[no description available]low00organofluorine compound;
purines		antineoplastic agent
tetramethylpyrazine[no description available]medium00alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
guanazole[no description available]low00aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
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
diallyl disulfide[no description available]low00organic disulfideantifungal agent;
antineoplastic agent;
plant metabolite
phenethyl isothiocyanate[no description available]low00isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
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
acadesine[no description available]low001-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
doxifluridine[no description available]low00organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
megestrol[no description available]low0017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
mitomycin a[no description available]low00ether;
mitomycin		alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin
cladribine[no description available]low00organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
tabersonine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite
vidarabine[no description available]low00beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
cyclophosphamide[no description available]low00hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent
helenalin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite
etidronate disodium[no description available]low00organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator
isopentenyladenosine[no description available]low00N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite
nsc-145,668[no description available]low00hydrochlorideantimetabolite;
antineoplastic agent
ancitabine[no description available]low00diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
clodronic acid[no description available]low001,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent
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
streptozocin[no description available]low00N-acylglucosamine;
N-nitrosoureas		antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite
fludarabine phosphate[no description available]low00nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
2,6-diaminopurine[no description available]low002,6-diaminopurines;
primary amino compound		antineoplastic agent
silybin[no description available]low00aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
glucaric acid[no description available]low00glucaric acidantineoplastic agent
promegestone[no description available]low0020-oxo steroid;
3-oxo-Delta(4) steroid		antineoplastic agent;
progesterone receptor agonist;
progestin
perfosfamide[no description available]low00nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide		alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite
nimustine[no description available]low00aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
lonidamine[no description available]low00dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
vindesine[no description available]low00methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent
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
diaziquone[no description available]low001,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent
midazolam hydrochloride[no description available]low00hydrochloride;
imidazobenzodiazepine		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
oltipraz[no description available]low001,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug
fazarabine[no description available]low00N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
mitoxantrone hydrochloride[no description available]low00hydrochlorideantineoplastic agent
bisantrene[no description available]low00anthracenes;
hydrazone;
imidazolidines		antineoplastic agent
lovastatin[no description available]low00delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
cabergoline[no description available]low00N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
nitrogenase stabilizing-protective protein, bacteria[no description available]low00N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamideandrogen antagonist;
antineoplastic agent
bmy 25067[no description available]low00C-nitro compound;
organic disulfide		antineoplastic agent
brequinar[no description available]low00biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
imiquimod[no description available]low00imidazoquinolineantineoplastic agent;
interferon inducer
aromasil[no description available]low0017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
cidofovir anhydrous[no description available]low00phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
topotecan[no description available]low00pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine hydrochloride[no description available]low00hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent
gemcitabine[no description available]low00organofluorine 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
irinotecan[no description available]low00carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
capecitabine[no description available]low00carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
nelfinavir mesylate[no description available]low00methanesulfonate saltantineoplastic agent;
HIV protease inhibitor
nelfinavir[no description available]low00aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
betulinic acid[no description available]low00hydroxy 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
baicalin[no description available]low00dihydroxyflavone;
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
ro 5-3335[no description available]low001,4-benzodiazepinone;
organochlorine compound;
pyrroles		anti-HIV-1 agent;
antineoplastic agent;
HIV-1 Tat inhibitor;
RUNX1 inhibitor
plerixafor[no description available]low00azacycloalkane;
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
epigallocatechin gallate[no description available]low00flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant 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
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose[no description available]low00gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
pyrrolidine dithiocarbamate[no description available]low00dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger
triptonide[no description available]low00butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound		anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent
3'-deoxyadenosine 5'-triphosphate[no description available]low00purine ribonucleoside 5'-triphosphateantifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent
2-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
toxoflavin[no description available]low00carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
lupulon[no description available]low00beta-bitter acidangiogenesis inhibitor;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer
pinocembrin[no description available]low00(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
tangeretin[no description available]low00pentamethoxyflavoneantineoplastic agent;
plant metabolite
ethinylestradiol-3-sulfate[no description available]low0017beta-hydroxy steroid;
steroid sulfate		antineoplastic agent;
estrogen
lonazolac[no description available]low00monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bromopyruvate[no description available]low002-oxo monocarboxylic acid;
organobromine compound;
oxo carboxylic acid		alkylating agent;
antineoplastic agent
enrofloxacin[no description available]low00cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent
dexrazoxane[no description available]low00razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
masoprocol[no description available]low00nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
dw a 2114r[no description available]low00platinum coordination entity;
pyrrolidines		antineoplastic 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
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
nobiletin[no description available]low00methoxyflavoneantineoplastic agent;
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
dehydrocostus lactone[no description available]low00gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug
xanthomicrol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
voacamine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
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
uvaretin[no description available]low00aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite
fangchinoline[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
maslinic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
tetrazolium violet[no description available]low00organic chloride saltantineoplastic agent;
apoptosis inducer;
dye
irinotecan hydrochloride[no description available]low00hydrochlorideantineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
5-(3-methyl-1-triazeno)imidazole-4-carboxamide[no description available]low00imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent
hydroxyguanidine[no description available]low00guanidines;
one-carbon compound		antineoplastic agent;
antiviral agent
cryptolepine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
bexarotene[no description available]low00benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
3,4-dihydroxyphenylethanol[no description available]low00catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite
terreic acid[no description available]low00arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin
4-methylumbelliferyl glucuronide[no description available]low00beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative		antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor
9-hydroxyellipticine[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound		antineoplastic agent
nimustine[no description available]low00hydrochlorideantineoplastic agent
beta-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
alpha-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite
cryptopleurine[no description available]medium00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor
sugiol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger
eupatorin[no description available]low00dihydroxyflavone;
polyphenol;
trimethoxyflavone		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent
1-methyltryptophan[no description available]low00non-proteinogenic alpha-amino acid;
tryptophan derivative		antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
atromentin[no description available]low00dihydroxy-1,4-benzoquinones;
polyphenol		antibacterial agent;
anticoagulant;
antineoplastic agent;
apoptosis inducer;
biological pigment;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
fungal metabolite
diosgenin[no description available]low003beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite
alpha-glutamyltryptophan[no description available]low00dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite
fulvestrant[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
ici 164384[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist
sn 38[no description available]low00delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
hc toxin[no description available]low00homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin
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
fingolimod[no description available]low00aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
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
tamibarotene[no description available]low00dicarboxylic acid monoamide;
retinoid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta 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
homoorientin[no description available]low00flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger
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
selenomethylselenocysteine[no description available]low00non-proteinogenic alpha-amino acid;
selenocysteines		antineoplastic agent;
human metabolite
tephrosin[no description available]low00aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide
5-(tetradecyloxy)-2-furancarboxylic acid[no description available]low00aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist
sc 58125[no description available]low00organofluorine compound;
pyrazoles;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor
marimastat[no description available]low00hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
1'-acetoxychavicol acetate[no description available]low00acetate ester;
phenylpropanoid		antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite
clofarabine[no description available]low00adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
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
ginsenoside rh2[no description available]low0012beta-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
trapoxin a[no description available]low00epoxide;
homodetic cyclic peptide;
ketone		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite
celastrol[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
4'-demethylepipodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
imatinib mesylate[no description available]low00methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
aminolevulinic acid hydrochloride[no description available]low00hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
gefitinib[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
cgp 42112a[no description available]low00benzyl ester;
oligopeptide;
pyridinecarboxamide		angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent
vadimezan[no description available]low00monocarboxylic acid;
xanthones		antineoplastic agent
rubimaillin[no description available]low00benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite
4-carbamoylimidazolium 5-olate[no description available]low00hydroxyimidazole;
monocarboxylic acid amide		antineoplastic agent
nsc 224070[no description available]low001,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound		alkylating agent;
antineoplastic agent
ay 25545[no description available]low00acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
methotrexate[no description available]low00dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
3,7-dihydroxytropolone[no description available]low00alpha-hydroxy ketone;
cyclic ketone;
enol;
triol		antineoplastic agent;
bacterial metabolite
delphinidin[no description available]low005-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite
tamsulosin[no description available]low005-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
saintopin[no description available]low00tetracenequinonesantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
fungal metabolite;
intercalator
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene[no description available]low00monoterpenoid;
organobromine compound;
organochlorine compound		algal metabolite;
antineoplastic agent;
marine metabolite
ilomastat[no description available]low00hydroxamic 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
abiraterone[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
yakuchinone-a[no description available]low00ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
pomalidomide[no description available]low00aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
tempol[no description available]low00aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
selenomethylselenocysteine[no description available]low00amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine		antineoplastic agent
10-propargyl-10-deazaaminopterin[no description available]low00N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel[no description available]low00hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
docetaxel anhydrous[no description available]low00secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
lonafarnib[no description available]low004-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
aclacinomycin[no description available]low00aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite
6-azauridine-5'-monophosphate[no description available]low00N-glycosyl-1,2,4-triazine;
nucleoside monophosphate analogue		antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
ptk 787[no description available]low00succinate saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
vatalanib[no description available]low00monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
cyc 682[no description available]low00nitrile;
nucleoside analogue;
secondary carboxamide		antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug
canertinib[no description available]low00monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
methyl 5-aminolevulinate hydrochloride[no description available]low00hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
methyl 5-aminolevulinate[no description available]low00delta-amino acid esterantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
tipifarnib[no description available]low00imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
aklavinone[no description available]low00anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent
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
i-677[no description available]low00L-serine derivative;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite
anonaine[no description available]low00aporphine alkaloid;
organic heteropentacyclic compound;
oxacycle		antineoplastic agent;
antiplasmodial drug;
trypanocidal drug
4'-demethyldesoxypodophyllotoxin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite
salvigenin[no description available]low00monohydroxyflavone;
trimethoxyflavone		antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite
deferrioxamine e[no description available]low00cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle		antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore
ampelopsin[no description available]low00dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite
methylselenic acid[no description available]low00one-carbon compound;
organoselenium compound		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite
acetyl aleuritolic acid[no description available]low00acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite
withanolide d[no description available]low0020-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent
myricanone[no description available]low00aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite
cirsilineol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
pannarin[no description available]low00aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite
6-methylthiohexyl isothiocyanate[no description available]low00isothiocyanate;
methyl sulfide		antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent
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
5-o-methylembelin[no description available]low00enol ether;
monohydroxy-1,4-benzoquinones		antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite
asperphenamate[no description available]low00benzamides;
carboxylic ester;
L-phenylalanine derivative		antineoplastic agent
erlotinib[no description available]low00aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
erlotinib hydrochloride[no description available]low00hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor
corynoline[no description available]low00benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite
helioxanthin[no description available]low00benzodioxoles;
furonaphthodioxole;
lignan		anti-HBV agent;
antineoplastic agent;
plant metabolite
top 53[no description available]low00furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
5-heptadecylresorcinol[no description available]low005-alkylresorcinolantineoplastic agent;
plant metabolite
minquartynoic acid[no description available]low00acetylenic fatty acid;
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
tetrayne		antimalarial;
antineoplastic agent;
antiviral agent
scutellarin[no description available]low00glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor
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
2,5-dihydroxybenzyl alcohol[no description available]low00aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite
chrysosplenol c[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
antiviral agent;
plant metabolite
lanperisone[no description available]low002-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-oneantineoplastic agent;
calcium channel blocker;
ferroptosis inducer;
muscle relaxant;
voltage-gated sodium channel blocker
(-)-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
orantinib[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
lapatinib[no description available]low00furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
firocoxib[no description available]low00butenolide;
cyclopropanes;
enol ether;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2-(4-morpholinoanilino)-6-cyclohexylaminopurine[no description available]low00morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
sorafenib[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
lenalidomide[no description available]low00aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
lasofoxifene[no description available]low00aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist
l 778,123[no description available]low00hydrochlorideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor;
radiosensitizing agent
l 778,123[no description available]low00imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide[no description available]low00chloroindole;
organochlorine compound;
sulfonamide		antineoplastic agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
diflomotecan[no description available]low00epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
demecolcine[no description available]medium00alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent
dromostanolone propionate[no description available]low003-oxo-5alpha-steroid;
steroid ester		antineoplastic agent
vincaleukoblastine[no description available]low00acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
vincristine sulfate[no description available]low00organic sulfate saltantineoplastic agent;
geroprotector
anisomycin[no description available]low00monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
estramustine[no description available]low0017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective 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
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
acivicin[no description available]low00isoxazoles;
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
elesclomol[no description available]low00carbohydrazide;
thiocarbonyl compound		antineoplastic agent;
apoptosis inducer
wortmannin[no description available]low00acetate 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
rocaglamide[no description available]low00monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite
anthricin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes		antineoplastic agent;
apoptosis inducer;
plant metabolite
taiwanin c[no description available]low00benzodioxoles;
furonaphthodioxole;
lignan		antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor
o-(chloroacetylcarbamoyl)fumagillol[no description available]low00carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide		angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist
bortezomib[no description available]low00amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
gant 61[no description available]low00aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
carnosine[no description available]low00amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
puromycin[no description available]low00puromycinsantiinfective 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
pentostatin[no description available]low00coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
canaline[no description available]low00amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite
hippeastrine[no description available]low00delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite
peonidin[no description available]low005-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
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]low0014beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
ginsenoside rf[no description available]low0012beta-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
ferruginol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent
decursinol[no description available]low00cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
naringin[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
eugeniin[no description available]low00beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
knipholone[no description available]low00aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite
gingerol[no description available]low00beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite
mucronulatol[no description available]low00hydroxyisoflavans;
methoxyisoflavan		antineoplastic agent;
plant metabolite
syringaresinol[no description available]low00syringaresinolantineoplastic agent
enkephalin, methionine[no description available]low00pentapeptide;
peptide zwitterion		analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist
devazepide[no description available]low001,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
sodium arsenite[no description available]low00arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide
surfactin c[no description available]low00cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant
kerriamycin b[no description available]low00angucycline antibioticantineoplastic agent
carubicin[no description available]low00aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones		antineoplastic agent;
apoptosis inducer
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
docosahexaenoate[no description available]low00docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
eicosapentaenoic acid[no description available]low00icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
mycophenolic acid[no description available]low002-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
formycin[no description available]low00formycinantineoplastic agent
neocarzinostatin chromophore[no description available]low00cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester		antineoplastic agent
epothilone b[no description available]low00epothilone;
epoxide		antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent
adenosine-5'-(n-ethylcarboxamide)[no description available]low00adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
n(1)-guanyl-1,7-diaminoheptane[no description available]low00guanidines;
primary amino compound		antineoplastic agent;
EC 2.5.1.46 (deoxyhypusine synthase) inhibitor
diethylstilbestrol[no description available]low00olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
bms 214662[no description available]low00benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
epothilone a[no description available]low00epothilone;
epoxide		antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine[no description available]low006-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound		antineoplastic agent;
Hsp90 inhibitor
alitretinoin[no description available]low00retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
afimoxifene[no description available]low00phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
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
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
tiazofurin[no description available]low001,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
aphidicolin[no description available]low00tetracyclic 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
azaserine[no description available]low00carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
melphalan[no description available]low00L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
prinomastat[no description available]low00aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor
rubitecan[no description available]low00C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
arsenic trioxide[no description available]low00arsenic oxideantineoplastic agent;
insecticide
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
isoliquiritigenin[no description available]low00chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
antofine[no description available]medium00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
xanthohumol[no description available]low00aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
vedelianin[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
plant metabolite
s 1033[no description available]low00(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
amygdalin[no description available]low00amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
trilostane[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate[no description available]low00acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist
leuprolide[no description available]low00oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
mercaptopurine[no description available]low00aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
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
iFSP1[no description available]low00aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes		antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor
4-iodo-6-phenylpyrimidine[no description available]low00biaryl;
organoiodine compound;
pyrimidines		antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor
oncrasin-1[no description available]low00arenecarbaldehyde;
indoles;
monochlorobenzenes		antineoplastic agent;
apoptosis inducer
curcumin[no description available]low00aromatic 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
cct018159[no description available]low00benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
sulindac[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
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
xl147[no description available]low00aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
mcb-613[no description available]low00cyclic ketone;
enone;
pyridines		antineoplastic agent;
steroid receptor coactivator stimulator
thioguanine anhydrous[no description available]low002-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
tamoxifen[no description available]low00stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
stattic[no description available]low001-benzothiophenes;
C-nitro compound;
sulfone		antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor
krn 7000[no description available]low00glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine		allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant
10058-F4[no description available]low00olefinic compound;
thiazolidinone		antineoplastic agent;
apoptosis inducer
monastrol[no description available]low00enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
toremifene[no description available]low00aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
u 0126[no description available]low00aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
beauvericin[no description available]low00cyclodepsipeptideantibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor
nelarabine[no description available]low00beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
bms 387032[no description available]low001,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
manool[no description available]low00labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite
amrubicin[no description available]low00anthracycline antibiotic;
methyl ketone;
primary amino compound;
quinone;
tetracenes		antineoplastic agent;
prodrug;
topoisomerase II inhibitor
ospemifene[no description available]low00aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator
tandutinib[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
dasatinib[no description available]low001,3-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
emetine dihydrochloride[no description available]low00hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor
bigelovin[no description available]low00acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite
zd 6474[no description available]low00aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
l 663536[no description available]low00aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
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
sc 560[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
alsterpaullone[no description available]low00C-nitro compound;
caprolactams;
organic heterotetracyclic compound		anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
ginkgetin[no description available]low00biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
eupatilin[no description available]low00dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
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
vitexin[no description available]low00C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
apigenin[no description available]low00trihydroxyflavoneantineoplastic agent;
metabolite
luteolin[no description available]low003'-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
calcitriol[no description available]low00D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
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
hymecromone[no description available]low00hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
chrysoeriol[no description available]low00monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite
dexmedetomidine[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
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
quercetin 3-o-glucopyranoside[no description available]low00beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2[no description available]low00prostaglandins J;
secondary alcohol		antineoplastic agent;
antiviral agent
genistein[no description available]low007-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
pyrvinium[no description available]low00quinolinium ionanthelminthic drug;
antineoplastic agent
cyclobenzaprine[no description available]low009,11,13-octadecatrienoic acidantineoplastic agent;
plant 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
cucurbitacin i[no description available]low00cucurbitacin;
tertiary alpha-hydroxy ketone		antineoplastic agent;
plant metabolite
daphnoretin[no description available]low00aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite
costunolide[no description available]low00germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite
eupatolide[no description available]low00gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol		antineoplastic agent;
plant metabolite
oleuropein[no description available]low00beta-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
agathisflavone[no description available]low00biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite
baicalein[no description available]low00trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
chrysin[no description available]low007-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective 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
hinokiflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent
hispidulin[no description available]low00monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
gartanin[no description available]low00polyphenol;
xanthones		antineoplastic agent;
plant metabolite
mangostin[no description available]low00aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
norathyriol[no description available]low00polyphenol;
xanthones		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
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
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
robustaflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite
tricetin[no description available]low00pentahydroxyflavoneantineoplastic agent;
metabolite
wogonin[no description available]low00dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
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
astringin[no description available]low00beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
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
irilone[no description available]low00hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite
caffeic acid phenethyl ester[no description available]low00alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
wedelolactone[no description available]low00aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite
rottlerin[no description available]low00aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
tectochrysin[no description available]low00monohydroxyflavone;
monomethoxyflavone		antidiarrhoeal drug;
antineoplastic agent;
plant metabolite
plaunotol[no description available]low00diterpenoid;
primary alcohol		anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary
tranilast[no description available]low00amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
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		anti-inflammatory agent;
antineoplastic agent
isotretinoin[no description available]low00retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
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
camostat mesylate[no description available]low00methanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
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
3',4',7-trihydroxyisoflavone[no description available]low007-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
alvocidib[no description available]low00dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
fenretinide[no description available]low00monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
geldanamycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
4-oxoretinol[no description available]low00cyclic ketone;
enone;
primary allylic alcohol;
retinoid		antineoplastic agent
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid[no description available]low00benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent
vinorelbine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
centaureidin[no description available]low00trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite
3,3'-di-o-methylquercetin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
ethyl caffeate[no description available]low00alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite
andrographolide[no description available]low00carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
isoginkgetin[no description available]low00aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
cudraflavone c[no description available]low00tetrahydroxyflavoneantibacterial agent;
antineoplastic 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
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one[no description available]low00dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
spiraeoside[no description available]low00beta-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
oridonin[no description available]low00cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
pd 166866[no description available]low00biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
semaxinib[no description available]low00olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
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
palbociclib[no description available]low00aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
mitoguazone[no description available]low00guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
reumycin[no description available]low00carbonyl compound;
pyrimidotriazine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
ergosterol-5,8-peroxide[no description available]low003beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug
ermanin[no description available]low00dihydroxyflavone;
dimethoxyflavone		anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite
romidepsin[no description available]low00cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulindac sulfide[no description available]low00aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
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
macluraxanthone b[no description available]low00phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite
flavokawain b[no description available]low00chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
tamsulosin hydrochloride[no description available]low00hydrochloridealpha-adrenergic antagonist;
antineoplastic agent
batimastat[no description available]low00hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
glyceryl behenate[no description available]low001-monoglyceride;
fatty acid ester		antineoplastic agent;
plant metabolite
jaceosidin[no description available]low00dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite
5,7,3'-trihydroxy-3,4'-dimethoxyflavone[no description available]low00dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite
pederin[no description available]low00cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide		antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant
artocarpin lectin[no description available]low00monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite
cisplatin[no description available]low00diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
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
demethoxycurcumin[no description available]low00beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite
cystothiazole a[no description available]low001,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic		antifungal agent;
antineoplastic agent;
bacterial metabolite
lespenefril[no description available]low00alpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite
baohuoside i[no description available]low00glycosyloxyflavoneanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
arglabin[no description available]low00epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one[no description available]low00enone;
pyridines		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor
ma-1[no description available]low00carboxamidine;
organochlorine compound;
pyrimidone;
pyrrolidines		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor
apratoxin a[no description available]low001,3-thiazoles;
apratoxin		antineoplastic agent;
metabolite
coronardine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
ascofuranone[no description available]low00dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
columbianadin[no description available]low00alpha,beta-unsaturated carboxylic ester;
furanocoumarin		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
germacrone[no description available]low00germacrane 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
rhizoxin[no description available]low001,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
metabolite
sibiromycin[no description available]low00aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial 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
manumycin[no description available]low00enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite
thermozymocidin[no description available]low00alpha-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
asukamycin[no description available]low00enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite
everolimus[no description available]low00cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
13(S)-HODE[no description available]low00HODEantineoplastic agent;
human xenobiotic metabolite;
mouse metabolite
ixabepilone[no description available]low001,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
axitinib[no description available]low00aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
salvianolic acid B[no description available]low001-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
l 744832[no description available]low00benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector
sophoraflavanone a[no description available]low00(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
antineoplastic agent;
metabolite
tanespimycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
manzamine a[no description available]medium00alkaloid;
beta-carbolines;
isoquinolines		animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite
aureothin[no description available]low004-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor
fostriecin[no description available]low002-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor
artesunate[no description available]low00artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
ru 58668[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist
soblidotin[no description available]low00tetrapeptideantineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
beta-elemene[no description available]low00beta-elemeneantineoplastic agent
laulimalide[no description available]low00carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising 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
belinostat[no description available]low00hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
on 01910[no description available]low00N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent
panobinostat[no description available]low00cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound		angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
bml 210[no description available]low00dicarboxylic acid diamideantineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
bufalin[no description available]low0014beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug
alpha-solanine[no description available]low00glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
rhosin[no description available]low00D-tryptophan derivative;
hydrazone;
quinoxaline derivative		antineoplastic agent;
RhoA inhibitor;
RhoC inhibitor
s-allylcysteine[no description available]low00L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine		antineoplastic agent;
metabolite
2-hydroxy-9-cis-octadecenoic acid[no description available]low002-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid		antihypertensive agent;
antineoplastic agent;
apoptosis inducer
dolastatin 10[no description available]low001,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent
plitidepsin[no description available]low00didemninanticoronaviral agent;
antineoplastic agent;
marine metabolite
abiraterone acetate[no description available]low00pyridines;
sterol ester		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug
lenvatinib[no description available]low00aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
nsc 716970[no description available]low00aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent
pd 0325901[no description available]low00difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
midostaurin[no description available]low00benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
jasplakinolide[no description available]low00cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent
muromonab-cd3[no description available]medium00alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite
ginsenoside m1[no description available]low0012beta-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
cabazitaxel[no description available]low00tetracyclic diterpenoidantineoplastic agent;
microtubule-stabilising agent
elisidepsin[no description available]low00cyclodepsipeptideantineoplastic agent
fr 148083[no description available]low00aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
mocetinostat[no description available]low00aminopyrimidine;
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
tln 4601[no description available]low00dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol		antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor
scio-469[no description available]low00aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
tmc-95a[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor
cp 724714[no description available]low002-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
9-methoxycanthin-6-one[no description available]low00aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite
topopyrone c[no description available]low00naphthochromene;
p-quinones;
phenols		antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite
pi103[no description available]low00aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride[no description available]low00hydrochloride;
iminium salt		antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor
fty 720p[no description available]low00monoalkyl phosphate;
primary alcohol;
primary amino compound		antineoplastic agent;
immunosuppressive agent;
sphingosine-1-phosphate receptor agonist
hmr 1275[no description available]low00hydrochlorideantineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
hki 272[no description available]low00nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
ginsenoside f2[no description available]low0012beta-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
es-285[no description available]low00amino alcohol;
sphingoid		antineoplastic agent
nidulalin a[no description available]low00methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite
hypothemycin[no description available]low00aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite
rucaparib[no description available]low00azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
jte 607[no description available]low00hydrochlorideanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug
pasireotide[no description available]low00homodetic cyclic peptide;
peptide hormone		antineoplastic agent
npi 2358[no description available]low002,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent
rubraxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite
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
sr 11302[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes		antineoplastic agent;
AP-1 antagonist
sch 51344[no description available]low00aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent
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
osu 03012[no description available]low00antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ly2090314[no description available]low00diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
cerberin[no description available]low00acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite
pateamine a[no description available]low001,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound		antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite
6-hydroxytaxol[no description available]low00taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent
masitinib[no description available]low001,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
avenanthramide b[no description available]low00amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin
ageladine a[no description available]medium00alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite
ly-2157299[no description available]low00aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines		antineoplastic agent;
TGFbeta receptor antagonist
pazopanib[no description available]low00aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
azd 6244[no description available]low00benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
azd2858[no description available]low00aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide		antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
bibw 2992[no description available]low00aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
bl1521[no description available]low00enamide;
hydroxamic acid;
monocarboxylic acid amide		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
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
holomycin[no description available]low00acetamides;
dithiolopyrrolone antibiotic		antibacterial agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite
binimetinib[no description available]low00benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
aee 788[no description available]low006-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
saracatinib[no description available]low00aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
crenolanib[no description available]low00aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
trilobacin[no description available]low00butenolide;
polyketide;
triol		antineoplastic agent;
plant metabolite
manassantin b[no description available]low00benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite
pha 665752[no description available]low00dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide		antineoplastic agent;
c-Met tyrosine kinase inhibitor
PB28[no description available]low00aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
tmc-95b[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor
fr 901464[no description available]low00acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
vinflunine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
homocamptothecin[no description available]low00epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
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
jaspamide b[no description available]low00cyclodepsipeptide;
organobromine compound		animal metabolite;
antineoplastic agent;
marine metabolite
ossamycin[no description available]low00cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite
nigranoic acid[no description available]low00dicarboxylic acid;
tetracyclic triterpenoid		antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite
esculeoside a[no description available]low00azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin		antineoplastic agent;
metabolite
azadirone[no description available]low00acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		antineoplastic agent;
antiplasmodial drug;
plant metabolite
iejimalide b[no description available]low00ether;
formamides;
macrolide		antineoplastic agent;
marine metabolite
migrastatin[no description available]low00ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite
cembra-2,7,11-triene-4,6-diol[no description available]low00cembrane diterpenoidantineoplastic agent
regorafenib[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
at 7867[no description available]low00monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ym 155[no description available]low00organic bromide saltantineoplastic agent;
apoptosis inducer;
survivin suppressant
bielschowskysin[no description available]low00acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite
erastin[no description available]low00aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor
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
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
rx-3117[no description available]low00organofluorine compound;
primary allylic alcohol;
triol		antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug
ascochlorin[no description available]low00cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
spiculoic acid a[no description available]low00carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes		antineoplastic agent;
metabolite
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide[no description available]low00D-valine derivative;
hydroxamic acid		antineoplastic agent;
autophagy inducer;
EC 3.4.24.24 (gelatinase A) inhibitor;
melanin synthesis inhibitor
at 7519[no description available]low00dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
ym 216391[no description available]low001,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide		antineoplastic agent;
bacterial metabolite
marizomib[no description available]low00beta-lactone;
gamma-lactam;
organic heterobicyclic compound;
organochlorine compound;
salinosporamide		antineoplastic agent;
proteasome inhibitor
er-086526[no description available]low00cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound		antineoplastic agent;
microtubule-destabilising agent
obolactone[no description available]low002-pyranones;
4-pyranones		antineoplastic agent;
plant metabolite
episilvestrol[no description available]low00dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
abt 869[no description available]low00aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 1152[no description available]low00anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
pf 00299804[no description available]low00enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
ki11502[no description available]low00aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
carfilzomib[no description available]low00epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine[no description available]low00aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
idelalisib[no description available]low00aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinib[no description available]low003-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
zstk474[no description available]low00benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
trametinib[no description available]low00acetamides;
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
lyoniresinol[no description available]low00dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		antineoplastic agent;
metabolite
GDC-0879[no description available]low00indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines		antineoplastic agent;
B-Raf inhibitor
physalin b[no description available]low00enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimicrobial agent;
antineoplastic agent
amrubicinol[no description available]low00diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes		antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor
silvestrol[no description available]low00dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
at 13387[no description available]low00benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide		antineoplastic agent;
Hsp90 inhibitor
cytotrienin a[no description available]low00cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
dactolisib[no description available]low00imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
bgt226[no description available]low00aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
2'-methoxykurarinone[no description available]low004'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone		antineoplastic agent;
metabolite
gedunin[no description available]low00acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid		antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite
monascin[no description available]low00alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide		antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist
monascorubrin[no description available]low00azaphilone;
enone;
gamma-lactone;
polyketide;
triketone		anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one[no description available]medium00alkaloid;
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
SYC-435[no description available]low00benzenes;
cyclic hydroxamic acid;
pyridone		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
ligstroside[no description available]low00beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite
mogrol[no description available]low00hydroxy seco-steroid;
tetracyclic triterpenoid		antineoplastic agent
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
4-methyl-5-pentylbenzene-1,3-diol[no description available]low00resorcinolsantineoplastic agent
mdv 3100[no description available]low00(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
azd 1152-hqpa[no description available]low00anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
adonixanthin[no description available]low00carotenone;
cyclic ketone;
secondary alcohol		algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite
schweinfurthin g[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite
abarelix[no description available]low00polypeptideantineoplastic agent;
hormone antagonist
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
gastrin 17[no description available]low00gastrinantineoplastic agent
gdc-0973[no description available]low00aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
buparlisib[no description available]low00aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
tubocapsanolide a[no description available]low004-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide		antineoplastic agent;
NF-kappaB inhibitor
ro5126766[no description available]low00aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistat[no description available]low00cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer
tg101209[no description available]low00N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk690693[no description available]low001,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024[no description available]low002-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor
ku 0063794[no description available]low00benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor
respirantin[no description available]low00benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite
sm 164[no description available]low00benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent
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
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
bromophycolide a[no description available]low00diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite
nnc 55-0396[no description available]low00hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
meclofenamate sodium anhydrous[no description available]low00hydrateanalgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
brequinar sodium[no description available]low00organic sodium saltanticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
olaparib[no description available]low00cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
plx 4720[no description available]low00aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
lcl161[no description available]low001,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine		antineoplastic agent;
apoptosis inducer
aspergillide b[no description available]low00bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite
tenovin-6[no description available]low00monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor
lde225[no description available]low00aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
gdc 0449[no description available]low00benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent
bms 754807[no description available]low00pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
marinopyrrole a[no description available]low00aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite
delanzomib[no description available]low00C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
grassypeptolide[no description available]low00cyclodepsipeptide;
macrocycle		antineoplastic agent;
metabolite
pci 32765[no description available]low00acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib[no description available]low00(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor
spiruchostatin b[no description available]low00macrocyclic lactone;
organic disulfide;
organic heterobicyclic compound;
spiruchostatin		antineoplastic agent;
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor
AMG-208[no description available]low00aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor
sch772984[no description available]low00biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
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
quizartinib[no description available]low00benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
6-methoxyspirotryprostatin b[no description available]low00aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite
PP121[no description available]low00aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
niraparib[no description available]low00benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
niraparib[no description available]low002-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
navitoclax[no description available]low00aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
lucitanib[no description available]low00aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist
chondramide c[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]low00aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
cetrorelix[no description available]low00oligopeptideantineoplastic agent;
GnRH antagonist
histrelin[no description available]low00oligopeptideantineoplastic agent;
gonadotropin releasing hormone agonist
cabozantinib[no description available]low00aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
salvileucalin b[no description available]low00bridged compound;
diterpenoid;
furans;
gamma-lactone		antineoplastic agent;
metabolite
incb-018424[no description available]low00nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinib[no description available]low00acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026[no description available]low00aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinib[no description available]low00benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinib[no description available]low00aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580[no description available]low001,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
glasdegib[no description available]low00benzimidazoles;
nitrile;
phenylureas;
piperidines		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
gsk 2126458[no description available]low00aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
ixazomib[no description available]low00benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
cx 5461[no description available]low00diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol[no description available]low00benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
plx4032[no description available]low00aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
GDC-0623[no description available]low00hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
INDY[no description available]low00benzothiazoles;
enone;
organic hydroxy compound		antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor
7,8-dihydroxyflavanone[no description available]low00dihydroxyflavanoneantineoplastic agent;
metabolite
dabrafenib[no description available]low001,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
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
leachianone a[no description available]low004'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antimalarial;
antineoplastic agent;
metabolite
thiopental sodium[no description available]low00organochlorine compound;
piperazines;
pyrimidines		antineoplastic agent;
tyrosine kinase inhibitor
EG00229[no description available]low00benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes		angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist
jadomycin b[no description available]low00glycoside;
jadomycin;
organic heteropentacyclic compound		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor;
bacterial metabolite
tak-632[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor
chondramide a[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
englerin a[no description available]low00cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite
lrrk2-in1[no description available]low00aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
jq1 compound[no description available]low00carboxylic 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
ML-210[no description available]low00C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide		antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug
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
gilteritinib[no description available]low00aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinib[no description available]low00aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ML240[no description available]low00aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
torin 1[no description available]low00N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor
abt-199[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
pracinostat[no description available]low00benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
physalin f[no description available]low00enone;
epoxy steroid;
lactone;
physalin		antileishmanial agent;
antimalarial;
antineoplastic agent;
apoptosis inducer;
immunosuppressive agent
xl765[no description available]low00aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
DMH1[no description available]low00aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor
torin 2[no description available]low00aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor
oligomycin a[no description available]low00antibiotic antifungal agent;
diketone;
oligomycin;
pentol		antineoplastic agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
nematicide
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea[no description available]low00aminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas		antineoplastic agent;
fibroblast growth factor receptor antagonist
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist
chir 98014[no description available]low00aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator
gsk2656157[no description available]low00biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor
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
coumermycin[no description available]low00aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor
lfm a13[no description available]low00aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
AZD3463[no description available]low00aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
calicheamicin gamma(1)i[no description available]low00calicheamicin;
enediyne antibiotic;
organoiodine compound		antineoplastic agent;
metabolite
asperfuranone[no description available]low002-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite
ceritinib[no description available]low00aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pelabresib[no description available]low00monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor
MK-8353[no description available]low00aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ssr128129e[no description available]low00organic sodium saltantineoplastic agent;
fibroblast growth factor receptor antagonist
aspergillide a[no description available]low00bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite
capilliposide b[no description available]low00alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin		antineoplastic agent;
plant metabolite
brasilicardin a[no description available]low00benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent
surfactin A[no description available]low00cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant
acp-196[no description available]low00aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343[no description available]low00aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
myriaporone 3[no description available]low00beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite
GSK1059615[no description available]low00pyridines;
quinolines;
thiazolidinone		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
osimertinib[no description available]low00acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
ivosidenib[no description available]low00cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
phleomycin d1[no description available]low00bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite
ly3009120[no description available]low00aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor
pf-06463922[no description available]low00aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
as 1842856[no description available]low00organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent
physalin d[no description available]low005alpha-hydroxy steroid;
6beta-hydroxy steroid;
cyclic ether;
enone;
lactone;
organic heteroheptacyclic compound;
physalin		antimalarial;
antimycobacterial drug;
antineoplastic agent
acarbose[no description available]low00chondramide;
indoles;
organochlorine compound;
phenols		antineoplastic agent;
bacterial metabolite
sr9243[no description available]low00bromobenzenes;
sulfonamide;
sulfone		antineoplastic agent;
apoptosis inducer;
liver X receptor inverse agonist
CCT251545[no description available]low00azaspiro compound;
chloropyridine;
pyrazoles		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor
ldc4297[no description available]low00aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
hg-9-91-01[no description available]low00aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound		antineoplastic agent;
salt-inducible kinase 2 inhibitor
cigb-300[no description available]low00heterodetic cyclic peptide;
polypeptide		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
chondramide d[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
bassianolide[no description available]low00cyclodepsipeptide;
cyclooctadepsipeptide		antineoplastic agent;
fungal metabolite;
insecticide
enasidenib[no description available]low001,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
ebc-46[no description available]low00diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester		antineoplastic agent;
plant metabolite;
protein kinase C agonist
THZ531[no description available]low00aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
can 508[no description available]low00aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
levoleucovorin[no description available]low005-formyltetrahydrofolic acidantineoplastic agent;
metabolite
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
azaguanine[no description available]low00nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
pemetrexed[no description available]low00N-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
tirapazamine[no description available]low00aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
pyrazofurin[no description available]low00C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
MMP-9-IN-1[no description available]low00aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor
hydrazinocurcumin[no description available]low00aromatic ether;
olefinic compound;
polyphenol;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
9-arabinofuranosylguanine[no description available]low00beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor
cerulomycin[no description available]low00aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite
undecylprodigiosin[no description available]medium00alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent
ver 52296[no description available]low00aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile[no description available]low00hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
XL413[no description available]low00benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
pp242[no description available]low00aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor
marineosin a[no description available]low00azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite
marineosin b[no description available]low00azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite
ARS-1620[no description available]low00quinazolinesantineoplastic agent;
antiviral agent;
inhibitor
sotorasib[no description available]low00acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent
alpha-hydroxyglutarate[no description available]low002-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite
alpha-isopropylmalate[no description available]low002-hydroxy carboxylic acid;
3-hydroxy carboxylic acid;
dicarboxylic acid		metabolite
acetoacetic acid[no description available]low003-oxo fatty acid;
ketone body		metabolite
3-hydroxybenzyl alcohol[no description available]low00hydroxybenzyl alcohol;
phenols		metabolite
n-carbamoyl-beta-alanine[no description available]low00beta-alanine derivativemetabolite;
mouse metabolite
ethylene glycol[no description available]low00ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
acetoin[no description available]low00methyl ketone;
secondary alpha-hydroxy ketone		metabolite
ammonium hydroxide[no description available]low00azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant
benzyl alcohol[no description available]low00benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
carbon monoxide[no description available]low00carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent
formic acid[no description available]low00monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
4-hydroxymandelic acid[no description available]low002-hydroxy carboxylic acid;
phenols		metabolite
aminoethylphosphonic acid[no description available]low00phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite
hydrogen sulfide[no description available]low00gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
4-aminophenol[no description available]low00aminophenolallergen;
metabolite
n(1)-acetylspermidine[no description available]low00acetylspermidineEscherichia coli metabolite;
metabolite
aminocaproic acid[no description available]low00amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
dihydrouracil[no description available]low00pyrimidoneEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
dihydroxyacetone[no description available]low00ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
dimethylamine[no description available]low00methylamines;
secondary aliphatic amine		metabolite
glycolic acid[no description available]low002-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite
hydantoin-5-propionic acid[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite
niacinamide[no description available]low00pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin[no description available]low00pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
orotic acid[no description available]low00pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
oxaloacetic acid[no description available]low00C4-dicarboxylic acid;
oxo dicarboxylic acid		geroprotector;
metabolite
porphobilinogen[no description available]low00aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite
1-propanol[no description available]low00propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
trimethyloxamine[no description available]low00tertiary amine oxideEscherichia coli metabolite;
metabolite;
osmolyte
6-hydroxymelatonin[no description available]low00acetamides;
tryptamines		metabolite;
mouse metabolite
n-acetylphenylalanine[no description available]low00N-acetyl-amino acid;
phenylalanine derivative		antidepressant;
metabolite
n-acetyltryptophan[no description available]low00N-acetyl-amino acid;
tryptophan derivative		metabolite
arecoline[no description available]low00enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
aristolochic acid i[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
dibutyl phthalate[no description available]low00diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
hydroxymethyltolbutamide[no description available]low00benzyl alcohols;
sulfonamide;
ureas		metabolite
methyl salicylate[no description available]low00benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
myristicin[no description available]low00organic molecular entitymetabolite
phenmetrazine[no description available]low00morpholinesmetabolite;
sympathomimetic agent
phenylbutazone[no description available]low00pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
safrole[no description available]low00benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
sorbitol[no description available]low00glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
alloxan[no description available]low00pyrimidonehyperglycemic agent;
metabolite
glutamine[no description available]low00amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
n-methyltryptamine[no description available]low00tryptamine alkaloid;
tryptamines		metabolite
4-deoxypyridoxine[no description available]low00hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine		metabolite
cycloserine[no description available]low004-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
17-alpha-hydroxyprogesterone[no description available]low0017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
mannitol[no description available]low00mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
phenacyl bromide[no description available]low00acetophenones;
alpha-bromoketone		metabolite
trichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
acrylic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acidmetabolite
n-methylacetamide[no description available]low00acetamides;
monocarboxylic acid amide		metabolite
bis(4-hydroxyphenyl)sulfone[no description available]low00bisphenol;
sulfone		endocrine disruptor;
metabolite
7-amino-4-hydroxy-2-naphthalenesulfonic acid[no description available]low00aminonaphthalenesulfonic acid;
naphthols		metabolite
methyl benzoate[no description available]low00benzoate ester;
methyl ester		insect attractant;
metabolite
2-dichlorobenzene[no description available]low00dichlorobenzenehepatotoxic agent;
metabolite
2,4-diaminotoluene[no description available]low00aminotoluenemetabolite
4-butyrolactone[no description available]low00butan-4-olidemetabolite;
neurotoxin
sulfosalicylic acid[no description available]low00arenesulfonic acid;
benzoic acids;
phenols		metabolite
ethyl lactate[no description available]low00ethyl ester;
lactate ester;
secondary alcohol		metabolite
furaldehyde[no description available]low00aldehyde;
furans		Maillard reaction product;
metabolite
thiophene-2-carboxaldehyde[no description available]low00aldehyde;
thiophenes		metabolite
alpha-resorcylic acid[no description available]low00dihydroxybenzoic acid;
resorcinols		metabolite
methylenebis(chloroaniline)[no description available]low00chloroanilinemetabolite
2-phenylethyl acetate[no description available]low00acetate estermetabolite;
Saccharomyces cerevisiae metabolite
dibenzyl ether[no description available]low00benzyl ethermetabolite
ethyl propionate[no description available]low00propanoate estermetabolite
citronellal[no description available]low00aldehyde;
monoterpenoid		antifungal agent;
metabolite
ethyl oenanthate[no description available]low00fatty acid ethyl estermetabolite
ethyl caprylate[no description available]low00fatty acid ethyl ester;
octanoate ester		metabolite
ethyl laurate[no description available]low00fatty acid ethyl estermetabolite
acetic anhydride[no description available]low00acyclic carboxylic anhydridemetabolite;
reagent
ethyl isovalerate[no description available]low00fatty acid ethyl ester;
olefinic compound		metabolite
n-butyl n-butyrate[no description available]low00butyrate estermetabolite
ethyl decanoate[no description available]low00decanoate ester;
fatty acid ethyl ester		metabolite
methyl octanoate[no description available]low00fatty acid methyl ester;
octanoate ester		metabolite
2-octanone[no description available]low00methyl ketonemetabolite
hexylamine[no description available]low00primary aliphatic aminemetabolite
lauric acid methyl ester[no description available]low00dodecanoate ester;
fatty acid methyl ester		metabolite
octylamine[no description available]low00primary aliphatic aminemetabolite
n-decyl alcohol[no description available]low00decanol;
primary alcohol		metabolite;
pheromone;
protic solvent
methyl palmitate[no description available]low00fatty acid methyl estermetabolite
maltol[no description available]low004-pyranonesmetabolite
chloranil[no description available]low001,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
methyl anthranilate[no description available]low00benzoate esterflavouring agent;
metabolite
benzyl acetate[no description available]low00acetate ester;
benzyl ester		metabolite
ethyl acetate[no description available]low00acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
dibenzyl disulfide[no description available]low00organic aromatic compound;
organic disulfide		metabolite
mequinol[no description available]low00methoxybenzenes;
phenols		metabolite
gamma-resorcylic acid[no description available]low00dihydroxybenzoic acidmetabolite
kynuramine[no description available]low00kynurenamines;
primary amino compound		metabolite
5-methylpyrazole-3-carboxylic acid[no description available]low00monocarboxylic acid;
pyrazoles		metabolite
4-trifluoromethylaniline[no description available]low00(trifluoromethyl)benzenes;
substituted aniline		metabolite
methylguanidine[no description available]low00guanidinesEC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite;
uremic toxin
imperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
osthol[no description available]low00botanical anti-fungal agent;
coumarins		metabolite
Dillapiole[no description available]low00benzodioxolesmetabolite
coumaran[no description available]low001-benzofuransmetabolite
1,3-propanediol[no description available]low00propane-1,3-diolsmetabolite;
protic solvent
tridecanedioic acid[no description available]low00alpha,omega-dicarboxylic acidmetabolite
apiole[no description available]low00benzodioxolesmetabolite
flavone[no description available]low00flavonesmetabolite;
nematicide
cetyl palmitate[no description available]low00hexadecanoate estermetabolite
n-amyl butyrate[no description available]low00butyrate estermetabolite
3-aminobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite
methyl lactate[no description available]low00lactate ester;
methyl ester		metabolite
paeonol[no description available]low00methoxybenzenes;
phenols		metabolite
2,2-dimethylbutyric acid[no description available]low00dimethylbutyric acidmetabolite
2-chloroacrylic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
chlorocarboxylic acid		metabolite
galactitol[no description available]low00hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
1-methyluracil[no description available]low00nucleobase analogue;
pyrimidone		metabolite
2-pyrrolidone[no description available]low00pyrrolidin-2-onesmetabolite;
polar solvent
n-ethylacetamide[no description available]low00acetamidesmetabolite
6-methyluracil[no description available]low00pyrimidonemetabolite
3-methylglutaric acid[no description available]low00alpha,omega-dicarboxylic acidmetabolite
amyl acetate[no description available]low00acetate estermetabolite
dibenzothiophene 5-oxide[no description available]low00dibenzothiophenesmetabolite
2-acetamidoethanethiol[no description available]low00acetamidesmetabolite
2-hydroxyquinoxaline[no description available]low00hydroxyquinoxalinemetabolite
3,4-dihydroxyacetophenone[no description available]low00acetophenones;
catechols;
dihydroxyacetophenone		metabolite
methyl hippurate[no description available]low00glycine derivative;
methyl ester		metabolite
isobarbaloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
vincamine[no description available]low00alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent
methyl tert-butyl ether[no description available]low00etherfuel additive;
metabolite;
non-polar solvent
4-octylphenol[no description available]low00phenolsmetabolite;
surfactant;
xenoestrogen
dronabinol[no description available]low00benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
2-methoxy-1,4-naphthoquinone[no description available]low001,4-naphthoquinones;
enol ether		antimicrobial agent;
metabolite;
plant metabolite
aviprin[no description available]low00furanocoumarinmetabolite
hydroxyphenytoin[no description available]low00imidazolidine-2,4-dione;
phenols		metabolite
squaric acid[no description available]low00alicyclic ketone;
carbon oxoacid		metabolite
methyl methanethiosulfonate[no description available]low00sulfonic acid derivative;
thiosulfonate ester		metabolite
arabinofuranosyluracil[no description available]low00N-glycosyl compoundmetabolite
6-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite
mannose[no description available]low00D-aldohexose;
D-mannose;
mannopyranose		metabolite
2,3-hexanedione[no description available]low00alpha-diketonemetabolite
3,3-dimethylglutarate[no description available]low00alpha,omega-dicarboxylic acidmetabolite
raspberry ketone[no description available]low00methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite
laurolitsine[no description available]low00aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite
diethyl malate[no description available]low00malate estermetabolite
carbendazim[no description available]low00benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
glucoheptonate[no description available]low00carbohydrate acid;
monocarboxylic acid		metabolite
deslanoside[no description available]low0012beta-hydroxy steroid;
14beta-hydroxy steroid;
cardenolide glycoside;
tetrasaccharide derivative		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
pedalitin[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		EC 1.17.3.2 (xanthine oxidase) inhibitor;
metabolite
ethyl nonanoate[no description available]low00fatty acid ethyl estermetabolite
ethyl hexanoate[no description available]low00fatty acid ethyl ester;
hexanoate ester		metabolite
butyl acetate[no description available]low00acetate estermetabolite
1,4-dioxane[no description available]low00dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
isoamyl acetate[no description available]low00acetate estermetabolite;
Saccharomyces cerevisiae metabolite
ribostamycin[no description available]low00amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite
tramadol[no description available]low002-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
6-pentylpyrone[no description available]low002-pyranonesmetabolite
4-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
castanospermine[no description available]low00indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
pravastatin[no description available]low003-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
3-methyl-2-butenal[no description available]low00enalmetabolite
ethyl 3-hydroxybutyrate[no description available]low00fatty acid ethyl estermetabolite
4,5-dimethyl-3-hydroxy-2(5h)-furanone[no description available]low00butenolidemetabolite
n-methylnicotinamide[no description available]low00pyridinecarboxamidemetabolite
3-aminoisobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid		metabolite
platanic acid[no description available]low00hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid		anti-HIV agent;
metabolite
2'-deoxyuridylic acid[no description available]low00deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
gallocatechol[no description available]low00gallocatechinantioxidant;
metabolite;
radical scavenger
1-methylinosine[no description available]low00inosinesmetabolite
dihydrobetulinic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
antileishmanial agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite
bergenin[no description available]low00trihydroxybenzoic acidmetabolite
3'-cmp[no description available]low00cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
xanthoxyletin[no description available]low00coumarinsmetabolite
orsellinic acid[no description available]low00dihydroxybenzoic acid;
resorcinols		fungal metabolite;
marine metabolite;
metabolite
isoimperatorin[no description available]low00psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
seselin[no description available]low00coumarinsmetabolite
perillene[no description available]low00furans;
monoterpenoid		fragrance;
metabolite;
semiochemical
glycine methyl ester[no description available]low00glycinyl estermetabolite
hexadecanamide[no description available]low00primary fatty amidemetabolite
benzocyclobutene[no description available]low00carbobicyclic compoundmetabolite
9-methyladenine[no description available]low00methyladeninemetabolite
n'-methyl-2-pyridone-5-carboxamide[no description available]low00methylpyridines;
pyridinecarboxamide;
pyridone		metabolite;
mouse metabolite
1,3-dimethyluracil[no description available]low00pyrimidonemetabolite
3-methoxysalicylic acid[no description available]low00methoxysalicylic acidmetabolite
1,3-dimethyluric acid[no description available]low00oxopurinemetabolite
leucyltyrosine[no description available]low00dipeptidemetabolite
3-methylxanthine[no description available]low003-methylxanthinemetabolite
leucyl-glycyl-glycine[no description available]low00tripeptidemetabolite
acetylleucine[no description available]low00L-leucine derivative;
N-acetyl-L-amino acid		metabolite
n-benzoylalanine, (dl-ala)-isomer[no description available]low00alanine derivative;
N-acyl-amino acid		metabolite
dipropylacetamide[no description available]low00fatty amidegeroprotector;
metabolite;
teratogenic agent
7-methyladenine[no description available]low00methyladeninemetabolite
acetylisoniazid[no description available]low00carbohydrazidemetabolite
illimaquinone[no description available]low00monohydroxy-1,4-benzoquinones;
prenylquinone		metabolite
coptisine[no description available]medium00alkaloidmetabolite
narciclasine[no description available]low00phenanthridinesmetabolite
lividomycin[no description available]low00lividomycinsmetabolite
dmp 323[no description available]low00diazepanone;
ureas		anti-HIV agent;
metabolite
eupolauridine[no description available]low00naphthyridine derivativemetabolite
zaluzanin C[no description available]low00gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
2-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine		metabolite
(-)-catechin[no description available]low00catechinmetabolite
Tormentic acid[no description available]low00triterpenoidmetabolite
pinobanksin[no description available]low00secondary alpha-hydroxy ketone;
trihydroxyflavanone		antimutagen;
antioxidant;
metabolite
sigmoidin a[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger
xanthosine 5'-triphosphate[no description available]low00purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
monotropein[no description available]low00beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite
glycyl-histidyl-lysine[no description available]low00tripeptidechelator;
hepatoprotective agent;
metabolite;
vulnerary
homoeriodictyol[no description available]low003'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite
arjunolic acid[no description available]low00hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite
oxazolidin-2-one[no description available]low00carbamate ester;
oxazolidinone		metabolite
monoethyl phthalate[no description available]low00ethyl ester;
phthalic acid monoester		metabolite
methylimidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		GABA agonist;
metabolite
2-(2-aminoethyl)pyridine[no description available]low00aminoalkylpyridine;
primary amine		histamine agonist;
metabolite
xanthurenic acid 8-methyl ether[no description available]low00aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite
methyl orsellinate[no description available]low00hydroxybenzoic acidmetabolite
2,2-di(4-methacryloxyphenyl)propane[no description available]low00bisphenol;
enoate ester		metabolite
sofosbuvir[no description available]low00aminopyrimidine;
aromatic carboxylic acid;
nucleobase analogue;
pyrimidone		metabolite
3-methyluracil[no description available]low00nucleobase analogue;
pyrimidone		metabolite
1-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
leucyl-alanine[no description available]low00dipeptidemetabolite
leucyl-leucyl-leucine[no description available]low00tripeptidemetabolite
3,7-dimethyluric acid[no description available]low00oxopurinemetabolite;
mouse metabolite
alanylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
d-biotin-d-sulfoxide[no description available]low00biotins;
sulfoxide		metabolite
biotin sulfone[no description available]low00biotins;
sulfone		metabolite
asperuloside[no description available]low00acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite
primin[no description available]low001,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite
2-(hydroxymethyl)anthraquinone[no description available]low00anthraquinonemetabolite
tyrosylleucine[no description available]low00dipeptidemetabolite
o-methylserine[no description available]low00L-serine derivative;
non-proteinogenic L-alpha-amino acid		metabolite
aucubin[no description available]low00organic molecular entitymetabolite
catalpol[no description available]low00organic molecular entitymetabolite
3,4-dihydroxyphenylglycol[no description available]low00catechols;
tetrol		metabolite;
mouse metabolite
2-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
2-methylhippuric acid[no description available]low00N-acylglycinemetabolite
taraxerol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		metabolite
3-acetyllupeol[no description available]low00organic molecular entitymetabolite
lupenone[no description available]low00triterpenoidmetabolite
glycyltryptophan[no description available]low00dipeptidemetabolite
monocerin[no description available]low00hydroxybenzoic acidmetabolite
propionyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
alpha-hydroxyisocaproic acid[no description available]low002-hydroxy fatty acid;
branched-chain fatty acid		metabolite
totarol[no description available]low00diterpenoidmetabolite
taraxerone[no description available]low00scalarane sesterterpenoidmetabolite
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
uvaol[no description available]low00triterpenoidmetabolite
glycyltyrosine[no description available]low00dipeptidemetabolite
glycylleucine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
alanyltyrosine[no description available]low00dipeptidemetabolite
glycyl-l-phenylalanine[no description available]low00dipeptide zwitterion;
dipeptide		human metabolite;
metabolite
digoxigenin-mono(digitoxoside)[no description available]low00cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid saponin		metabolite
thiazolidine-4-carboxylic acid, (r)-isomer[no description available]low00thiazolidinemonocarboxylic acid;
thioproline		geroprotector;
metabolite
5,6-dihydrothymine[no description available]low00pyrimidonehuman metabolite;
metabolite;
mouse metabolite
dehydroabietic acid[no description available]low00abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
palmitone[no description available]low00dialkyl ketoneanticonvulsant;
metabolite
1-methylthymine[no description available]low00methylthyminemetabolite
imidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite
1-methylguanosine[no description available]low00methylguanosinemetabolite
alanylphenylalanine[no description available]low00dipeptidemetabolite
murrayanine[no description available]low00carbazolesmetabolite
girinimbine[no description available]low00carbazolesmetabolite
tryptophylglycine[no description available]low00dipeptidemetabolite
canthin-6-one[no description available]low00enone;
indole alkaloid;
organic heterotetracyclic compound		antimycobacterial drug;
metabolite
glycylaspartic acid[no description available]low00dipeptidemetabolite
4-methylhippuric acid[no description available]low00N-acylglycinemetabolite
delta(9)-tetrahydrocannabinolic acid[no description available]low00benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent
3-methylhippuric acid[no description available]low00N-acylglycinemetabolite
n-glycylglutamic acid[no description available]low00dipeptidemetabolite
n-caproylglycine[no description available]low00N-acylglycinemetabolite
s-2-aminoethyl cysteine[no description available]low00L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor;
metabolite;
protein synthesis inhibitor
4-hydroxycyclophosphamide[no description available]low00nitrogen mustard;
organochlorine compound;
phosphorodiamide		alkylating agent;
metabolite
malabaricone c[no description available]low00butanonemetabolite
loliolide[no description available]low00benzofuransmetabolite
tuberostemonine[no description available]medium00alkaloidmetabolite
pyrrole-3-carboxylic acid[no description available]low00pyrrolecarboxylic acidmetabolite;
Penicillium metabolite
histidylglycine[no description available]low00dipeptidemetabolite
histidinoalanine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
cinchonidine[no description available]low00(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
quillaic acid[no description available]low00aldehyde;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
p-methoxy-n-methylphenethylamine[no description available]low00aromatic ether;
secondary amino compound		metabolite
ecgonine methyl ester[no description available]low00methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
n-acetylcytidine[no description available]low00acetamides;
cytidines;
secondary carboxamide		metabolite
4-hydroxydebrisoquin[no description available]low00carboxamidine;
isoquinolines;
secondary alcohol		metabolite
hypotaurine[no description available]low00aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite
epicatechin gallate[no description available]low00catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
versiconal hemiacetal acetate[no description available]low00acetate ester;
anthrafuran;
lactol;
palmitoyl amino acid;
polyphenol		metabolite
selenodiglutathione[no description available]low00glutathione derivative;
thioselenide		Escherichia coli metabolite;
metabolite
coprine[no description available]low00cyclopropanes;
dicarboxylic acid monoamide;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite;
mycotoxin
aristolochic acid ii[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
exp3174[no description available]low00biphenylyltetrazole;
imidazoles;
organochlorine compound		metabolite
ribonolactone[no description available]low00butan-4-olide;
ribonolactone		metabolite
sulfamethoxazole hydroxylamine[no description available]low00isoxazoles;
sulfonamide		allergen;
metabolite
androsterone glucuronide[no description available]low00beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
metabolite;
mouse metabolite
sapintoxin d[no description available]low00phorbol ester;
tertiary alpha-hydroxy ketone		fluorescent probe;
metabolite
amarogentin[no description available]low00monosaccharide derivative;
secoiridoid glycoside		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
metabolite
taraxasterol[no description available]low00pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite
asiatic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
flavoglaucin[no description available]low00hydroquinonesmetabolite
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone[no description available]low00benzofuransmetabolite
maculosin[no description available]low00dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite
n(4)-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
n-acetylputrescine[no description available]low00N-monoacetylalkane-alpha,omega-diamine;
N-substituted putrescine		metabolite;
mouse metabolite
4'-demethylpodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite
lysicamine[no description available]low00alkaloid antibiotic;
oxoaporphine alkaloid		metabolite
procyanidin b2[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		antioxidant;
metabolite
aromadedrin[no description available]low004'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone		metabolite
3-methylthymine[no description available]low00methylthymine;
pyrimidone		metabolite
tyrosyl-glycyl-glycine[no description available]low00tripeptide zwitterion;
tripeptide		metabolite
cyclic adp-ribose[no description available]low00cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist
glycylglutamine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite;
protective agent
alanylglutamine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
naadp[no description available]low00nicotinic acid dinucleotidecalcium channel agonist;
metabolite;
signalling molecule
procyanidin b5[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		metabolite
proanthocyanidin a2[no description available]low00hydroxyflavan;
proanthocyanidin		angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite
dihydrosanguinarine[no description available]low00benzophenanthridine alkaloidantifungal agent;
metabolite
tetrahydrocurcumin[no description available]low00beta-diketone;
diarylheptanoid;
polyphenol		metabolite
eriodictyol 7-glucuronide[no description available]low003'-hydroxyflavonoid;
beta-D-glucosiduronic acid		EC 1.1.1.21 (aldehyde reductase) inhibitor;
metabolite
beta-lipotropin, gln(9)-[no description available]low00catechols;
crown compound;
macrocyclic lactone		bacterial metabolite;
metabolite
4-nitrososulfamethoxazole[no description available]low00isoxazoles;
nitroso compound;
sulfonamide		allergen;
metabolite
protosappanin a[no description available]low00catecholsmetabolite
3,3'-neotrehalosadiamine[no description available]low00amino disaccharide;
glycosyl glycoside derivative		antimicrobial agent;
metabolite
salvinorin a[no description available]low00organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen
cyanidin[no description available]low005-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
marsupsin[no description available]low001-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite
6,6'-bieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger
3-methylcytosine[no description available]low00aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
eckol[no description available]low00phlorotanninantioxidant;
metabolite
procyanidin b3[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite
phenylalanylarginine[no description available]low00dipeptidemetabolite
prolylarginine[no description available]low00dipeptidemetabolite
5-methoxytryptophan[no description available]low00L-alpha-amino acid zwitterion;
L-tryptophan derivative		metabolite
phenylalanylglutamate[no description available]low00dipeptidemetabolite
aspartylglycine[no description available]low00dipeptidemetabolite
aspartylglutamate[no description available]low00dipeptidemetabolite
5-hydroxypipecolic acid[no description available]low00piperidinemonocarboxylic acidmetabolite
prolyl-tyrosine[no description available]low00dipeptidemetabolite
histidylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
phenylalanyl-glycyl-glycine[no description available]low00tripeptidemetabolite
leucylarginine[no description available]low00dipeptidemetabolite
pendolmycin[no description available]low00indolesmetabolite
atractylenolide iii[no description available]low00naphthofuranmetabolite
malvidin[no description available]low005-hydroxyanthocyanidinbiological pigment;
metabolite
5-hydroxytryptoline[no description available]low00beta-carbolinesmetabolite
perlolyrine[no description available]low00organic molecular entitymetabolite
endocrocin[no description available]low00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
sulochrin[no description available]low00benzophenones;
carboxylic ester;
phenols		metabolite
isohomovanillic acid[no description available]low00aromatic ether;
phenols;
phenylacetic acids		metabolite
4-amino-2-methoxypyrimidine[no description available]low00aminopyrimidine;
aromatic ether;
methylcytosine		metabolite
asimilobine[no description available]low00aporphine alkaloidmetabolite
aristolochic acid D[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
leukodopachrome[no description available]low00hydroxy monocarboxylic acid;
indoles		metabolite
pinusolide[no description available]low00diterpene lactonemetabolite
2,4,5-trihydroxypentanoic acid gamma-lactone[no description available]low00ribonolactonemetabolite
hydroxysitosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid		metabolite;
plant metabolite
jolkinolide a[no description available]low00diterpene lactonemetabolite
jolkinolide b[no description available]low00diterpene lactonemetabolite
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine[no description available]low001-alkyl-sn-glycero-3-phosphocholine;
lysophosphatidylcholine O-16:0		metabolite
isovitexin[no description available]low00C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
dopamine quinone[no description available]low001,2-benzoquinones;
primary amino compound		metabolite
platycodin d[no description available]low00triterpenoid saponinmetabolite
frenolicin b[no description available]low00benzoisochromanequinone;
p-quinones		metabolite
4-oxopentanal[no description available]low00ketoaldehydemetabolite
my 12-62c[no description available]low00monohydroxyquinoline;
quinolone		antibacterial agent;
iron chelator;
metabolite;
signalling molecule
3,4-dihydroxyphenylpyruvic acid[no description available]low002-oxo monocarboxylic acidmetabolite
proximadiol[no description available]low00eudesmane sesquiterpenoidmetabolite
aristolochic acid c[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
phenylacetyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
taxusin[no description available]low00acetate ester;
carbotricyclic compound;
taxane diterpenoid		metabolite
confertin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite
beta-methylcrotonylglycine[no description available]low00N-acylglycinemetabolite
tracheloside[no description available]low00glycoside;
lignan		metabolite
maytenonic acid[no description available]low00triterpenoidmetabolite
procyanidin C1[no description available]low00hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
lipoxygenase inhibitor;
metabolite
3-methyleneindolenine[no description available]low00indolesmetabolite
isopulegol[no description available]low00p-menthane monoterpenoidmetabolite
kadsurin[no description available]low00tanninmetabolite
lysylproline[no description available]low00dipeptidemetabolite
dihydrodaidzein[no description available]low00hydroxyisoflavanonemetabolite
4'-o-methylepigallocatechin[no description available]low00catechinmetabolite
dichamanetin[no description available]low00diarylheptanoidmetabolite
brevianamide f[no description available]low00dipeptide;
indoles;
pyrrolopyrazine		metabolite
4-sulfocatechol[no description available]low00dihydroxybenzenesulfonic acidmetabolite
histidylleucine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
7-methoxyheptaphylline[no description available]low00carbazolesmetabolite
phenylalanylserine[no description available]low00dipeptidemetabolite
phellamurin[no description available]low004'-hydroxyflavanones;
beta-D-glucoside;
dihydroflavonols;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		metabolite
prolylglutamic acid[no description available]low00dipeptidemetabolite
nantenine[no description available]low00oxoaporphine alkaloidmetabolite
butyrylcarnitine[no description available]low00O-butanoylcarnitine;
saturated fatty acyl-L-carnitine		metabolite
2-hydroxyestradiol[no description available]low0017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
aromaticin[no description available]low00cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite
n-methylcorydaldine[no description available]low00quinolonemetabolite
2-amino-3,3-dimethylbutanoic acid[no description available]low00non-proteinogenic alpha-amino acidmetabolite
pentabromopseudilin[no description available]low00pyrrolesmetabolite
dentatin[no description available]low00coumarinsmetabolite
enmein[no description available]low00delta-lactonemetabolite
5-aminonicotinic acid[no description available]low00aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite
pomolic acid[no description available]low00triterpenoidmetabolite
aglafoline[no description available]low00methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor
isomaltose[no description available]low00glycosylglucosehuman metabolite;
metabolite;
mouse metabolite
deoxyglucose[no description available]low002-deoxy-D-glucosemetabolite
vestitone[no description available]low00(3R)-2'-hydroxyisoflavanones;
hydroxyisoflavanone;
methoxyisoflavanone		antibacterial agent;
metabolite
pantetheine[no description available]low00pantetheines;
thiol		human metabolite;
metabolite;
mouse metabolite
salicin[no description available]low00aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
taxifolin[no description available]low00taxifolinmetabolite
n-formylmethionine[no description available]low00L-methionine derivative;
N-formyl amino acid;
proteinogenic amino acid		metabolite
fucose[no description available]low00deoxygalactosemetabolite
saponarin[no description available]low00C-glycosyl compound;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		metabolite
cyanidin 3-o-beta-d-glucopyranoside[no description available]low00anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative		metabolite
silychristin[no description available]low001-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger
convallatoxin[no description available]low0014beta-hydroxy steroid;
19-oxo steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
steroid aldehyde;
steroid lactone		metabolite;
vasodilator agent
furostanol i[no description available]low00beta-D-glucoside;
cyclic hemiketal;
pentacyclic triterpenoid;
steroid saponin;
trisaccharide derivative		metabolite
abyssinone v[no description available]low004'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite
davidigenin[no description available]low00dihydrochalcones;
polyphenol		anti-allergic agent;
anti-asthmatic agent;
antioxidant;
metabolite
farrerol[no description available]low00organic molecular entitymetabolite
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
vicenin ii[no description available]low00C-glycosyl compound;
trihydroxyflavone		metabolite
alpha bitter acid[no description available]low00aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite
acanthoside b[no description available]low00beta-D-glucosidemetabolite
chlorpromazine n-oxide[no description available]low00organochlorine compound;
phenothiazines;
tertiary amine oxide		metabolite
3-hydroxyaspartic acid, (threo-l)-isomer[no description available]low003-hydroxy-L-aspartic acidmetabolite
cyclo(l-phe-l-pro)[no description available]low00organic molecular entitymetabolite
pyochelin[no description available]low00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
petunidin-3-glucoside[no description available]low00anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite
malvidin-3-glucoside[no description available]low00anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite
dioncophylline a[no description available]low00biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthalenes		antifungal agent;
antimalarial;
metabolite;
molluscicide
dioncophylline c[no description available]low00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite
latrunculin a[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
aglucovancomycin b[no description available]low00cyclic ether;
heterodetic cyclic peptide;
peptide antibiotic;
peptide zwitterion;
polyphenol		metabolite
(S)-ATPA[no description available]low00isoxazoles;
non-proteinogenic L-alpha-amino acid		metabolite
isoleucylvaline[no description available]low00dipeptidemetabolite
3-hydroxyhippuric acid[no description available]low00N-acylglycine;
phenols		metabolite
12-deoxyphorbol 13-acetate[no description available]low00phorbol estermetabolite
conidendrin[no description available]low00lignanmetabolite
bevirimat[no description available]low00dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
16beta,17-dihydroxy-ent-kaurane-19-oic acid[no description available]low00bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite
glycyrin[no description available]low00aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite
reynosin[no description available]low00organic heterotricyclic compound;
sesquiterpene lactone		metabolite
moronic acid[no description available]low00pentacyclic triterpenoidanti-HIV agent;
anti-HSV-1 agent;
metabolite
maltitol[no description available]low00alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent
Phe-Tyr[no description available]low00dipeptidemetabolite
2-acetyl-1-pyrroline[no description available]low00acylimine;
methyl ketone;
pyrroline		flavouring agent;
Maillard reaction product;
metabolite
methyl indole-3-carboxylate[no description available]low00indoles;
methyl ester		metabolite
camalexin[no description available]low001,3-thiazoles;
indole phytoalexin		metabolite
komaroviquinone[no description available]low00bridged compound;
lactol;
p-quinones;
tetracyclic diterpenoid		metabolite;
trypanocidal drug
2-hydroxycinnamic acid[no description available]low002-coumaric acid;
phenols		antioxidant;
metabolite
16-epivincamine[no description available]medium00alkaloidmetabolite
diethyl fumarate[no description available]low00diestermetabolite
1-acetyl-beta-carboline[no description available]low00harmala alkaloidmetabolite
propolin c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
butylidenephthalide[no description available]low002-benzofurans;
gamma-lactone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hypoglycemic agent;
metabolite
malonyl coenzyme a[no description available]low00malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite
imidazol-1-ylacetic acid[no description available]low00imidazolyl carboxylic acidmetabolite
captax[no description available]low00aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
n-acetyltryptophan[no description available]low00L-tryptophan derivative;
N-acetyl-L-amino acid		metabolite
cinnamoylglycine[no description available]low00N-acylglycinemetabolite
n-benzoylalanine[no description available]low00N-acyl-L-alanine;
N-benzoylalanine		metabolite
isoferulic acid[no description available]low00ferulic acidsantioxidant;
biomarker;
metabolite
oxypeucadanin, (r)-(+)-isomer[no description available]low00furanocoumarinmetabolite
thiouracil[no description available]low00nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
allylthiourea[no description available]low00thioureasmetabolite
n-glycylalanine[no description available]low00dipeptidemetabolite
caryophyllene oxide[no description available]low00epoxidemetabolite
fumonisin b1[no description available]low00diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite
olivetolic acid[no description available]low00benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite
Ganodermanontriol[no description available]low00triterpenoidmetabolite
dieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger
glycylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
tamoxifen n-oxide[no description available]low00aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite
7-deacetylgedunin[no description available]low00cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite
galactose-6-phosphate[no description available]low00D-galactose 6-phosphatemetabolite
nicotine n-glucuronide[no description available]low00iminium betaine;
N-glycosylpyridine		metabolite
isorhyncophylline[no description available]low00indolizinesmetabolite
cysteinylproline[no description available]low00dipeptidemetabolite
glycyllysine[no description available]low00dipeptidemetabolite
methionyltryptophan[no description available]low00dipeptidemetabolite
ascorbigen[no description available]low00indolyl carbohydratemetabolite
pimeloyl-coenzyme a[no description available]low00omega-carboxyacyl-CoAmetabolite
1-salicylate glucuronide[no description available]low00benzoic acids;
beta-D-glucosiduronic acid		metabolite
isoschaftoside[no description available]low00C-glycosyl compound;
trihydroxyflavone		metabolite
croomine[no description available]medium00alkaloidmetabolite
3-hydroxyflavanone[no description available]low003'-hydroxyflavanones;
monohydroxyflavanone		metabolite
ungeremine[no description available]low00organic molecular entitymetabolite
seryl-proline[no description available]low00dipeptidemetabolite
4-hydroxy-5-methyl-3(2h)-furanone[no description available]low00cyclic ketone;
enol;
furans		metabolite
annomontine[no description available]medium00alkaloid;
aminopyrimidine;
beta-carbolines		antiparasitic agent;
metabolite
8-hydroxymanzamine a[no description available]medium00alkaloid;
beta-carbolines;
isoquinolines		anti-HSV-2 agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
metabolite
calceolarioside b[no description available]low00hydroxycinnamic acidmetabolite
quercetin 3-o-glucuronide[no description available]low00beta-D-glucosiduronic acid;
quercetin O-glycoside		antidepressant;
antioxidant;
metabolite
australifungin[no description available]low00carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite
catechin gallate[no description available]low00flavans;
gallate ester;
polyphenol		metabolite
sterigmatocystin[no description available]low00sterigmatocystinsmetabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone[no description available]low00dimethoxyflavone;
trihydroxyflavone		EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
7,3'-dihydroxy-4'-methoxyisoflavone[no description available]low004'-methoxyisoflavones;
7-hydroxyisoflavones		antioxidant;
metabolite
vomifoliol[no description available]low00(6S)-vomifoliolmetabolite;
phytotoxin
feruloyltyramine[no description available]low00tyraminesmetabolite
luteolin-7-glucuronide[no description available]low00glycosyloxyflavone;
luteolin O-glucuronoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
quercetin 3-o-methyl ether[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		antimicrobial agent;
metabolite
apigetrin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
rutin[no description available]low00disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
6-ketoprostaglandin e1[no description available]low00prostaglandins Emetabolite;
platelet aggregation inhibitor
lipoxin a4[no description available]low00hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite
harmine[no description available]low00harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
naringenin chalcone[no description available]low00chalcones;
polyphenol		anti-allergic agent;
anti-inflammatory agent;
metabolite
cornexistin[no description available]low00cyclic dicarboxylic anhydride;
organic heterobicyclic compound;
secondary alpha-hydroxy ketone		herbicide;
metabolite
isobavachalcone[no description available]low00chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor
Rhynchophylline[no description available]low00indolizinesmetabolite
mammeisin[no description available]low00neoflavonoidmetabolite
ostruthin[no description available]low00terpene lactonemetabolite
caryophyllene[no description available]low00beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug
phaseic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
apo carotenoid sesquiterpenoid		metabolite
cupressuflavone[no description available]low00biflavonoid;
hydroxyflavone;
ring assembly		EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger
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
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
euxanthone[no description available]low00phenols;
xanthones		metabolite;
plant metabolite
3-methylquercetin[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
norswertianolin[no description available]low00beta-D-glucoside;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
swerchirin[no description available]low00aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite
isoscutellarein[no description available]low00tetrahydroxyflavonemetabolite
kaempferide[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite
norwogonin[no description available]low00trihydroxyflavoneantioxidant;
metabolite
orientin[no description available]low003'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite
patuletin[no description available]low00flavonols;
monomethoxyflavone;
pentahydroxyflavone		analgesic;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
metabolite
rhamnetin[no description available]low00monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite
scutellarein[no description available]low00tetrahydroxyflavonemetabolite
tamarixetin[no description available]low007-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite
tricin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite
polydatin[no description available]low00beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
epsilon-viniferin[no description available]low001-benzofurans;
polyphenol;
stilbenoid		metabolite
licoisoflavone a[no description available]low007-hydroxyisoflavonesmetabolite
prunetin[no description available]low007-methoxyisoflavones;
hydroxyisoflavone		anti-inflammatory agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
syringetin[no description available]low003',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone		metabolite;
platelet aggregation inhibitor
10-deoxymethynolide[no description available]low00macrolidemetabolite
4',7-dihydroxyflavone[no description available]low00dihydroxyflavonemetabolite
rhoifolin[no description available]low00dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite
veronicastroside[no description available]low00disaccharide derivative;
glycosyloxyflavone;
neohesperidoside;
trihydroxyflavone		antibacterial agent;
metabolite
quercimeritrin[no description available]low00beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
metabolite
josamycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite
n,n-dimethylsphingenine[no description available]low00aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite
4-hydroxyestradiol[no description available]low004-hydroxy steroidmetabolite
9-hydroxy-10,12-octadecadienoic acid[no description available]low00HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite
9-oxo-10,12-octadecadienoic acid[no description available]low00enone;
oxooctadecadienoic acid		metabolite
13-oxo-9,11-octadecadienoic acid[no description available]low0013-oxo-9,11-octadecadienoic acid;
oxo fatty acid		metabolite
13,14-dihydro-15-ketoprostaglandin d2[no description available]low00prostaglandins Dmetabolite
15-keto-13,14-dihydroprostaglandin f2alpha[no description available]low00ketone;
prostaglandins Falpha		metabolite
2,3-dinor-6-ketoprostaglandin f1alpha[no description available]low004-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer[no description available]low003beta-sterolanti-HSV-1 agent;
antifungal agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
metabolite
calcifediol[no description available]low00D3 vitamins;
diol;
hydroxycalciol		bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical
cyclosporine[no description available]low00homodetic 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
oleyl alcohol[no description available]low00fatty alcohol 18:1;
long-chain primary fatty alcohol		metabolite;
nonionic surfactant
fortimicin a[no description available]low00amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound		antibacterial agent;
metabolite
6,7,4'-trihydroxyisoflavone[no description available]low007-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist
15-deoxy-delta(12,14)-prostaglandin j2[no description available]low00prostaglandins Jelectrophilic reagent;
insulin-sensitizing drug;
metabolite
ciguatoxins[no description available]low00ciguatoxinmetabolite
12-hydroxy-5,8,10-heptadecatrienoic acid[no description available]low00hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
trienoic fatty acid		metabolite
bisdemethoxycurcumin[no description available]low00beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
clausine e[no description available]low00carbazolesmetabolite
heptaphylline[no description available]low00carbazolesmetabolite
pellitorine[no description available]low00fatty amidemetabolite
isorhamnetin-3-o-galactoside[no description available]low00beta-D-galactoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
isorhamnetin 3-o-glucoside[no description available]low00beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
kaempferol-3-o-rutinoside[no description available]low00disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
ligustilide[no description available]low00butenolidemetabolite
7,4'-dihydroxy-3'-methoxyisoflavone[no description available]low007-hydroxyisoflavones;
methoxyisoflavone		antiplasmodial drug;
metabolite
sappanchalcone[no description available]low00catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite
methyl brevifolincarboxylate[no description available]low00cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent
3-deoxysappanchalcone[no description available]low00chalcones;
monomethoxybenzene;
phenols		metabolite
nostocarboline[no description available]medium00alkaloid;
beta-carbolines;
organic cation;
organochlorine compound		antimalarial;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide[no description available]low00hydroxycinnamic acidmetabolite
alternariol[no description available]low00benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin
cis-3-hexenyl acetate[no description available]low00acetate ester;
olefinic compound		metabolite
pipercallosidine[no description available]medium00alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide[no description available]low00hydroxycinnamic acidmetabolite
7-hydroxyisoflavone[no description available]low007-hydroxyisoflavonesEC 1.14.14.14 (aromatase) inhibitor;
metabolite
flazin[no description available]low00harmala alkaloidmetabolite
salutaridine[no description available]low00morphinane alkaloidanti-HBV agent;
metabolite
cytochalasin e[no description available]low00cytochalasan alkaloidmetabolite
fumarates[no description available]low00butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
1,7-dihydroxy-4-methoxyxanthone[no description available]low00aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite
bergamottin[no description available]low00furanocoumarinmetabolite
alanyl-alanyl-alanine[no description available]low00tripeptidemetabolite
24-ethyl-4-cholesten-3-one[no description available]low00C29-steroid;
steroid		metabolite
myricetin 3-o-glucuronide[no description available]low00monosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone		metabolite
phenylalanylalanine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
alpinumisoflavone[no description available]low00isoflavanonesmetabolite
alpha-aspartylalanine[no description available]low00dipeptidemetabolite
ap 10[no description available]low00diterpene lactonemetabolite
quercetin 7-rhamnoside[no description available]low00alpha-L-rhamnoside;
flavonols;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		metabolite
albonoursin[no description available]low002,5-diketopiperazinesmetabolite
oroidin[no description available]low00pyrroles;
secondary carboxamide		metabolite
monorden[no description available]low00cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor
(-)-catechin-3-O-gallate[no description available]low00flavans;
gallate ester;
polyphenol		metabolite
aspartyllysine[no description available]low00dipeptidemetabolite
arginyllysine[no description available]low00dipeptidemetabolite
hygromycin a[no description available]low00hydroxycinnamic acidmetabolite
latrunculin b[no description available]low00cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin
falcarindiol[no description available]low00organic molecular entitymetabolite
dehydroergosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		biomarker;
metabolite
n-oleoylglycine[no description available]low00fatty amide;
N-acylglycine 18:1		metabolite
manoalide[no description available]low00butenolide;
lactol;
sesterterpenoid		EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite
concanamycin a[no description available]low00carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid[no description available]low00enoate ester;
methyl ester;
monocarboxylic acid amide		metabolite
thunberginol f[no description available]low00catechols;
gamma-lactone;
isobenzofuranone		metabolite;
plant metabolite
pyracrenic acid[no description available]low00triterpenoidmetabolite
eicosa-11,14-dienoic acid, (z,z)-isomer[no description available]low00icosadienoic acidmetabolite
yuanhuadine[no description available]low00diterpenoidmetabolite
tiglylglycine[no description available]low00N-acylglycinemetabolite
rhodiocyanoside a[no description available]low00aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite
(2E,4E)-N-isobutyl-2,4-dodecadienamide[no description available]low00fatty amidemetabolite
mycothiazole[no description available]low00thiazolesmetabolite
13-oxo-9,11-octadecadienoic acid[no description available]low0013-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite
linderalactone[no description available]low00butenolidemetabolite
pros-methylimidazoleacetic acid[no description available]low00imidazolyl carboxylic acidmetabolite
cellobionic acid[no description available]low00carbohydrate acid;
disaccharide		metabolite
pseudopteroxazole[no description available]low00tetralinsmetabolite
panduratin a[no description available]low00diarylheptanoidmetabolite
stigmasterol 3-o-beta-d-glucopyranoside[no description available]low00beta-D-glucoside;
monosaccharide derivative;
phytosterols;
steroid saponin		metabolite
17-hydroxyjolkinolide b[no description available]low00diterpene lactonemetabolite
sq-23377[no description available]low00cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite
corosolic acid[no description available]low00triterpenoidmetabolite
cyclo(prolyl-valyl)[no description available]low00piperazinonemetabolite
phenylalanylglycine[no description available]low00dipeptidemetabolite
leucyl-phenylalanine[no description available]low00dipeptidemetabolite
glutamylalanine[no description available]low00dipeptidemetabolite
glutaminyl-glycine[no description available]low00dipeptidemetabolite
methionylglycine[no description available]low00dipeptidemetabolite
valylleucine[no description available]low00dipeptidemetabolite
phenylalanyl-valine[no description available]low00dipeptidemetabolite
cyclo(glycyltryptophyl)[no description available]low00indolesmetabolite
alanylglycine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
valyltyrosine[no description available]low00dipeptidemetabolite
alpha-glutamyltryptophan[no description available]low00dipeptidemetabolite
lysylglutamic acid[no description available]low00dipeptidemetabolite
methionylglutamic acid[no description available]low00dipeptidemetabolite
seryl-histidine[no description available]low00dipeptidemetabolite
arginyl-glutamine[no description available]low00dipeptidemetabolite
phenylalanylproline[no description available]low00dipeptidemetabolite
lysylglycine[no description available]low00dipeptidemetabolite
glycylhistidine[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
kopsinine[no description available]low00indole alkaloidmetabolite
cyclo(leucyl-phenylalanyl)[no description available]low002,5-diketopiperazinesmetabolite
prolylisoleucine[no description available]low00dipeptidemetabolite
isoleucyl-tyrosine[no description available]low00dipeptidemetabolite
prolyl-serine[no description available]low00dipeptidemetabolite
grayanotoxin i[no description available]low00acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid		antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin
19-norandrosterone[no description available]low0017-oxo steroidmetabolite
oleandrigenin[no description available]low0014beta-hydroxy steroid;
3beta-hydroxy steroid;
steroid ester		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
valyl-prolyl-proline[no description available]low00tripeptidemetabolite
prolylvaline[no description available]low00dipeptidemetabolite
palbinone[no description available]low0016-oxo steroidmetabolite
pseurotin[no description available]low00azaspiro compound;
lactam;
oxaspiro compound		metabolite
gambogic acid[no description available]low00pyranoxanthonesmetabolite
xenovulene a[no description available]low00cyclic ether;
enone;
organic heterotetracyclic compound;
sesquiterpenoid		GABA antagonist;
metabolite
LL-Z1640-1[no description available]low00macrolide;
resorcinols		metabolite
n-acetylcarnosine[no description available]low00dipeptidemetabolite
cholest-5-en-3-one[no description available]low003-oxo-Delta(5)-steroid;
cholestanoid		metabolite
kaempferol 3-O-beta-L-glucopyranoside[no description available]low00beta-L-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite
ubiquinol[no description available]low00polyprenylhydroquinone;
ubiquinol		biomarker;
metabolite
landomycin a[no description available]low00oligosaccharidemetabolite
ancistroealaine a[no description available]low00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug
actein[no description available]low00triterpenoidmetabolite
araloside a[no description available]low00triterpenoid saponinmetabolite
corynoxine b[no description available]low00indolizinesmetabolite
kaempferol 7-o-glucoside[no description available]low00beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
delphinidin 3-sambubioside[no description available]low00anthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite
nodosin[no description available]low00delta-lactonemetabolite
protylonolide[no description available]low00diol;
enone;
macrolide		metabolite
arisugacin[no description available]low00aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
nymphaeol c[no description available]low004'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger
thonningianin a[no description available]low00tanninmetabolite
cephalostatin i[no description available]low00oxo steroidmetabolite
papyriflavonol a[no description available]low003'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone		EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite
lactonamycin[no description available]low00gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite
myrsinoic acid b[no description available]low001-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite
betulone[no description available]low00triterpenoidmetabolite
eckstolonol[no description available]low00organic heteropentacyclic compound;
oxacycle;
phlorotannin		metabolite;
radical scavenger
gitaloxin[no description available]low00cardenolide glycosidemetabolite
paeonilide[no description available]low00benzoate estermetabolite
dihydroxanthohumol[no description available]low00aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
corynoxine[no description available]low00indolizinesmetabolite
7-phloroeckol[no description available]low00aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside[no description available]low00beta-D-glucoside;
dimethoxybenzene;
lignan;
monosaccharide derivative;
polyphenol;
primary alcohol;
tetralins		antibacterial agent;
antifungal agent;
metabolite
Sphaeropsidin C[no description available]low00tricyclic diterpenoidmetabolite
kelampayoside a[no description available]low00glycosidemetabolite
2,3-dihydro-3beta-methoxy withaferin A[no description available]low0027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite
aerothionin[no description available]low00isoxazolesmetabolite
artemisic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite
26-deoxyactein[no description available]low00triterpenoidmetabolite
5-formylcytosine[no description available]low00aminopyrimidine;
heteroarenecarbaldehyde;
nucleobase analogue;
pyrimidone		metabolite
Lyngbic acid[no description available]low00long-chain fatty acidmetabolite
procyanidin b1[no description available]low00biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite
cyclo(tyrosyl-tyrosyl)[no description available]low00cyclo(tyrosyl-tyrosyl)metabolite
myrocin a[no description available]low00tertiary alcoholmetabolite
3'-o-methylepicatechin[no description available]low00catechinmetabolite
protopanaxatriol[no description available]low0012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
sapogenin;
tetracyclic triterpenoid		metabolite
laurinterol[no description available]low00organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
Pseudopterosin G-J aglycone[no description available]low00diterpenoidmetabolite
ceratamine a[no description available]medium00alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite
liphagal[no description available]low00aldehyde;
cyclic ether;
meroterpenoid;
organic heterotetracyclic compound;
polyphenol		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
metabolite
pulsatilla saponin d[no description available]low00triterpenoidmetabolite
diversonol[no description available]low00phenols;
tertiary alcohol		antibacterial agent;
metabolite
neotuberostemonine[no description available]medium00alkaloidmetabolite
drymaritin[no description available]low00enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound		anti-HIV agent;
metabolite
ginsenoside ro[no description available]low00triterpenoid saponinmetabolite
diosgenin glucoside[no description available]low00hexacyclic triterpenoid;
monosaccharide derivative;
spiroketal;
sterol 3-beta-D-glucoside		metabolite
pyripyropene a[no description available]low00organic heterotetracyclic compound;
sesquiterpenoid		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
metabolite
3-epioleanolic acid[no description available]low00triterpenoidmetabolite
leucylproline[no description available]low00dipeptide zwitterion;
dipeptide		metabolite
R-(-)-actinodaphnine[no description available]low00aporphine alkaloidmetabolite
methylamphotericin b[no description available]low00macrolide;
methyl ester;
monosaccharide derivative		antifungal agent;
antiinfective agent;
metabolite
verproside[no description available]low00glycosidemetabolite
verminoside[no description available]low00hydroxycinnamic acidmetabolite
minecoside[no description available]low00hydroxycinnamic acidmetabolite
(R)-(+)-6',7'-dihydroxybergamottin[no description available]low00furanocoumarinmetabolite
lapidilectine b[no description available]low00indolyl carboxylic acidmetabolite
batzelladine a[no description available]medium00alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite
alloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
longipinene[no description available]low00alpha-longipinenemetabolite
parkeol[no description available]low003beta-hydroxy-4,4-dimethylsteroid;
3beta-sterol;
tetracyclic triterpenoid		metabolite
rutundic acid[no description available]low00triterpenoidmetabolite
a-factor (streptomyces)[no description available]low00butan-4-olide;
primary alcohol		metabolite
taraxasteryl acetate[no description available]low00triterpenoidmetabolite
chikusetsu saponin iva[no description available]low00triterpenoid saponinmetabolite
xestoaminol c[no description available]low00amino alcohol;
sphingoid		metabolite
malyngamide A[no description available]low00dicarboximidemetabolite
friedelane[no description available]low00triterpenemetabolite
shamixanthone[no description available]low00cyclic ketone;
phenols;
pyranoxanthene		metabolite
17,18-epoxy-5,8,11,14-eicosatetraenoic acid[no description available]low00EpETEmetabolite
chaetominine[no description available]low00indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite
salmon calcitonin[no description available]low00heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite
complestatin[no description available]low00cyclic ether;
heterodetic cyclic peptide;
indoles;
organic heterobicyclic compound;
organochlorine compound;
peptide antibiotic;
polyphenol		anti-HIV-1 agent;
antimicrobial agent;
HIV-1 integrase inhibitor;
metabolite
neuroprotectin a[no description available]low00cyclic ether;
heterodetic cyclic peptide;
indoles;
organochlorine compound;
polyphenol		HIV-1 integrase inhibitor;
metabolite
alx-0600[no description available]low00polypeptideantioxidant;
glucagon-like peptide-2 receptor agonist;
metabolite;
protective agent
schweinfurthin f[no description available]low00cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		metabolite
antrocamphin a[no description available]low00methoxybenzenesanti-inflammatory agent;
metabolite
streptobiosamine[no description available]low00amino disaccharidemetabolite
interiotherin b[no description available]low00aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite
succinyladenosine[no description available]low00adenosines;
amino dicarboxylic acid;
L-aspartic acid derivative		metabolite
6-tuliposide a[no description available]low006-O-acyl-D-glucose;
homoallylic alcohol		allergen;
metabolite
glycochenodeoxycholate-3-sulfate[no description available]low007alpha-hydroxy steroid;
bile acid glycine conjugate;
steroid sulfate		metabolite
wewakazole[no description available]low00cyclic peptidemetabolite
spongia-13(16),14-dien-19-oic acid[no description available]low00cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite
Icariside E4[no description available]low00benzofuransmetabolite
dihydroagarofuran[no description available]low00bridged compound;
cyclic ether;
eudesmane sesquiterpenoid;
organic heterotricyclic compound		metabolite
23-epi-26-deoxyactein[no description available]low00triterpenoidmetabolite
23-hydroxybetulinic acid[no description available]low00triterpenoidmetabolite
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene[no description available]low00diterpenoidmetabolite
2-acetamidoglucal[no description available]low00acetamides;
glycal derivative		metabolite
diorcinol[no description available]low00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
caribenol a[no description available]low00organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite
halisulfate 1[no description available]low00organic molecular entitymetabolite
6-O-feruloylcatalpol[no description available]low00hydroxycinnamic acidmetabolite
essramycin[no description available]low00triazolopyrimidinesmetabolite
ainsliadimer a[no description available]low00sesquiterpene lactone;
spiro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
ciliatamide a[no description available]low00caprolactams;
lipopeptide		antileishmanial agent;
metabolite
etnangien[no description available]low00hydroxy monocarboxylic acid;
macrolide antibiotic		antibacterial agent;
metabolite
latrunculol a[no description available]low00macrolidemetabolite
N-trans-sinapoyltyramine[no description available]low00hydroxycinnamic acidmetabolite
lycojapodine a[no description available]medium00alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
epi-maslinic acid[no description available]low00dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite
eoxin c4[no description available]low00eoxin;
leukotriene		metabolite
brartemicin[no description available]low00benzoate ester;
glycosyl glycoside derivative;
resorcinols		antimicrobial agent;
metabolite
Majusculamide AB[no description available]low00amino acid amidemetabolite
antcin a[no description available]low00ergostanoidmetabolite
integric acid[no description available]low00carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid		HIV-1 integrase inhibitor;
metabolite
vanilloloside[no description available]low00glycosidemetabolite
dicranin[no description available]low00acetylenic fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
trienoic fatty acid		antibacterial agent;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
metabolite
hordatine a[no description available]low00aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite
monanchocidin[no description available]low00organic molecular entitymetabolite
sphaeropsidin a[no description available]low00gamma-lactonemetabolite
gardenoside[no description available]low00beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite
landomycin d[no description available]low00anthraquinonemetabolite
antcin k[no description available]low00bile acidmetabolite
shizukaol B[no description available]low00triterpenoidmetabolite
shizukaol f[no description available]low00triterpenoidmetabolite
staphyloxanthin[no description available]low00apo carotenoid triterpenoid;
D-aldohexose derivative;
fatty acid ester;
triol;
xanthophyll		antioxidant;
biological pigment;
metabolite;
virulence factor
sm 1 peptide[no description available]low00acetate ester;
ergot alkaloid		metabolite
mycocyclosin[no description available]low002,5-diketopiperazines;
organic heterotetracyclic compound;
polyphenol		metabolite
callipeltin a[no description available]low00cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite
vinylamycin[no description available]low00cyclodepsipeptide;
macrocycle;
primary alcohol		antibacterial agent;
antimicrobial agent;
metabolite
promegestone[no description available]low00terpene lactonemetabolite
lancifodilactone g[no description available]low00cyclic ether;
diol;
enol;
gamma-lactone;
oxaspiro compound;
triterpenoid		anti-HIV agent;
metabolite
rediocide a[no description available]low00diterpenoid;
epoxide;
ortho ester;
terpene lactone		insecticide;
metabolite
lasiokaurin[no description available]low00kaurane diterpenoidmetabolite
longikaurin a[no description available]low00kaurane diterpenoidmetabolite
ponicidin[no description available]low00dioxanesmetabolite
(Z)-6,6',7,3'a-Diligustilide[no description available]low00butenolidemetabolite
suvanine[no description available]low00organic molecular entitymetabolite
shizukaol d[no description available]low00triterpenoidmetabolite
thailandepsin a[no description available]low00cyclodepsipeptidemetabolite
nordidemnin b[no description available]low00didemninmetabolite
4-formylaminooxyvinylglycine[no description available]low00non-proteinogenic alpha-amino acidmetabolite
platycoside e[no description available]low00triterpenoid saponinmetabolite
leuconoxine[no description available]medium00alkaloidmetabolite
epidermin[no description available]low00macrocycle;
type A lantibiotic		antibacterial agent;
metabolite
avenacoside b[no description available]low00beta-D-glucoside;
hexacyclic triterpenoid;
spiroketal;
steroid saponin;
tetrasaccharide derivative		metabolite
3-methylglutarylcarnitine[no description available]low00O-methylglutarylcarnitinemetabolite
pivaloylcarnitine[no description available]low00C5-acylcarnitinemetabolite
7,8-dihydroneopterin[no description available]low00dihydropterin;
neopterins		Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
guanosine monophosphate[no description available]low00guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine[no description available]low00methyl ketone;
pyrimidodiazepine		metabolite
dyspropterin[no description available]low00biopterins;
tetrahydropterin		human metabolite;
metabolite;
mouse metabolite
2'-o-methylguanosine[no description available]low00methylguanosinemetabolite
allopurinol riboside[no description available]low00nucleoside analoguemetabolite
norclozapine[no description available]low00dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
7-methylguanosine[no description available]low00methylguanosine;
organic cation		metabolite
3'-o-methylguanosine[no description available]low00methylguanosinemetabolite
primapterin[no description available]low00biopterinsmetabolite
7-methylinosine[no description available]low00inosines;
organic cation		metabolite
n-methylphenylethanolamine[no description available]low00alkaloid;
phenylethanolamines		human metabolite;
plant metabolite
phenethylamine[no description available]low00alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
epibatidine[no description available]low00alkaloid
colchicine, (+-)-isomer[no description available]low00acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound		microtubule-destabilising agent;
plant metabolite
eburnamonine[no description available]low00alkaloid
galantamine[no description available]low00alkaloid
muscimol[no description available]low00alkaloid;
isoxazoles;
primary amino compound		fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug
trigonelline[no description available]low00alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite
vinca[no description available]low00alkaloid
dimethoxyphenylethylamine[no description available]low00alkaloid;
aromatic ether;
phenylethylamine		allergen;
plant metabolite
cytisine[no description available]low00alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
anagyrine[no description available]low00alkaloid
pyrrolnitrin[no description available]low00alkaloid;
C-nitro compound;
monochlorobenzenes;
pyrroles		antifungal drug;
bacterial metabolite
trimethylcolchicinic acid methyl ether[no description available]low00acetamides;
alkaloid;
carbotricyclic compound
LSM-22634[no description available]low00alkaloid
discretamine[no description available]low00alkaloid
dehydrocorydalin[no description available]low00alkaloid
11-bromovincamine[no description available]low00alkaloid
vinburnine[no description available]low00alkaloid
jatrorrhizine[no description available]low00alkaloid
5,6-dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride[no description available]low00alkaloid
pretazettine[no description available]low00alkaloid
matrine[no description available]low00alkaloid
quebrachamine[no description available]low00alkaloid
cularine[no description available]low00alkaloid
atherospermine[no description available]low00alkaloid
demissidine[no description available]low00alkaloid;
organic heteropolycyclic compound;
steroid
oxymatrine[no description available]low00alkaloid;
tertiary amine oxide
stachydrine[no description available]low00alkaloid;
amino-acid betaine;
N-methyl-L-alpha-amino acid		food component;
human blood serum metabolite;
plant metabolite
verticine[no description available]low00alkaloid
u-47929[no description available]low00alkaloid;
aziridines;
dipeptide;
pyrrolidines		antibacterial agent;
bacterial metabolite;
DNA synthesis inhibitor
lycorenine[no description available]low00alkaloid
peiminine[no description available]low00alkaloid
caracurine v[no description available]low00alkaloid
norcoralydine[no description available]low00alkaloid
gamma-lumicolchicine[no description available]low00acetamides;
alkaloid;
carbotricyclic compound
5-methoxycanthin-6-one[no description available]low00alkaloid;
organic heterotetracyclic compound
Amalorin[no description available]low00alkaloid;
organic heterotetracyclic compound
sampangine[no description available]low00alkaloid;
organic heterotetracyclic compound		antifungal agent;
plant metabolite
crinine[no description available]low00alkaloid
18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid[no description available]low00alkaloid
elymoclavine[no description available]low00alkaloid
hemanthamine[no description available]low00alkaloid
carpaine[no description available]low00alkaloid;
macrodiolide		cardiovascular drug;
plant metabolite
protoverine[no description available]low00alkaloid
hamayne[no description available]low00alkaloid
1-O-Acetyllycorine[no description available]low00alkaloid
vinpocetine[no description available]low00alkaloidgeroprotector
piperlactam s[no description available]low00alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite
piperolactam a[no description available]low00alkaloid
3-(4-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]propanoic acid[no description available]low00alkaloid
toxiferine[no description available]low00alkaloid
erythraline[no description available]low00alkaloid
veratrine[no description available]low00alkaloid
pumiliotoxin a[no description available]low00alkaloid
acutumine[no description available]low00alkaloid
massadine[no description available]low00alkaloid;
guanidines;
organobromine compound;
pyrrolecarboxamide		animal metabolite;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor;
marine metabolite
LSM-24185[no description available]low00alkaloid
LSM-16753[no description available]low00alkaloid
decarbamylsaxitoxin[no description available]low00alkaloid;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
primary alcohol;
pyrrolopurine		bacterial metabolite;
marine metabolite;
neurotoxin;
toxin;
xenobiotic
dibromophakellin[no description available]low00alkaloid;
guanidines;
organobromine compound		alpha-adrenergic agonist;
animal metabolite;
marine metabolite
7-hydroxymitragynine[no description available]low00alkaloid
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
saxitoxin[no description available]low00alkaloid;
carbamate ester;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
pyrrolopurine		cyanotoxin;
marine metabolite;
neurotoxin;
sodium channel blocker;
toxin
asperparaline a[no description available]low00alkaloid;
azaspiro compound;
dicarboximide		Aspergillus metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Adenocarcinoma0low30
Adenocarcinoma, Basal Cell0low30
Adenocarcinoma, Granular Cell0low30
Adenocarcinoma, Oxyphilic0low30
Adenocarcinoma, Tubular0low30
Adenoma, Malignant0low30
Age-Related Osteoporosis0low10
Anorexia0low10
B16 Melanoma0low10
Benign Neoplasms0low20
Bone Loss, Age-Related0low10
Breast Cancer0low10
Breast Carcinoma0low10
Breast Neoplasms0low10
Breast Tumors0low10
Cancer0low20
Cancer of Breast0low10
Cancer of Colon0low30
Cancer of Lung0low20
Cancer of the Breast0low10
Cancer of the Colon0low30
Cancer of the Lung0low20
Carcinoma, Cribriform0low30
Carcinoma, Epidermoid0low20
Carcinoma, Granular Cell0low30
Carcinoma, Planocellular0low20
Carcinoma, Squamous0low20
Carcinoma, Squamous Cell0low20
Carcinoma, Tubular0low30
Cell Transformation, Neoplastic0low10
Colon Cancer0low30
Colon Neoplasms0low30
Colonic Cancer0low30
Colonic Neoplasms0low30
Disease Models, Animal0low20
Emesis0low10
Experimental Leukemia0low30
Experimental Leukemias0low30
Experimental Melanoma0low10
Experimental Melanomas0low10
Experimental Neoplasms0low30
Harding Passey Melanoma0low10
Human Mammary Carcinoma0low10
Kahler Disease0low10
Kaposi Disease0low10
Kaposi's Disease0low10
Leucocythaemia0low10
Leucocythemia0low10
Leukemia0low10
Leukemia L 12100low170
Leukemia L12100low170
Leukemia Model, Animal0low30
Leukemia P3880low30
Leukemia, Experimental0low30
Leukemias, Experimental0low30
Lung Cancer0low20
Lung Neoplasms0low20
Malignancy0low20
Malignant Melanoma0low10
Malignant Neoplasm of Breast0low10
Malignant Neoplasms0low20
Malignant Tumor of Breast0low10
Mammary Cancer0low10
Mammary Carcinoma, Human0low10
Mammary Neoplasm, Human0low10
Mammary Neoplasms, Human0low10
Melanoma0low10
Melanoma, B160low10
Melanoma, Cloudman S910low10
Melanoma, Experimental0low10
Melanoma, Harding-Passey0low10
Melanomas, Experimental0low10
Multiple Myeloma0low10
Myeloma-Multiple0low10
Myeloma, Multiple0low10
Myeloma, Plasma-Cell0low10
Myelomatosis0low10
Nausea0low10
Neoplasia0low20
Neoplasm0low20
Neoplasms0low20
Neoplasms, Benign0low20
Neoplasms, Breast0low10
Neoplasms, Colonic0low30
Neoplasms, Experimental0low30
Neoplasms, Lung0low20
Neoplasms, Pulmonary0low20
Neoplastic Cell Transformation0low10
Neoplastic Transformation, Cell0low10
Osteoporosis0low10
Osteoporosis, Age-Related0low10
Osteoporosis, Involutional0low10
Osteoporosis, Post-Traumatic0low10
Osteoporosis, Senile0low10
P388D(1) Leukemia0low30
Palmoplantaris Pustulosis0low10
Plasma Cell Myeloma0low10
Psoriasis0low10
Pulmonary Cancer0low20
Pulmonary Neoplasms0low20
Pustular Psoriasis of Palms and Soles0low10
Pustulosis of Palms and Soles0low10
Pustulosis Palmaris et Plantaris0low10
Senile Osteoporosis0low10
Squamous Cell Carcinoma0low20
Transformation, Neoplastic Cell0low10
Tumorigenic Transformation0low10
Tumors0low20
Tumors, Breast0low10
Vomiting0low10
Xeroderma Pigmentosum0low10

Research Highlights

Safety/Toxicity (1)

ArticleYear
Chiral dihydroxylation of acronycine: absolute configuration of natural cis-1,2-dihydroxy-1,2-dihydroacronycine and cytotoxicity of (1R,2R)- and (1S,2S)-1,2-diacetoxy-1,2-dihydroacronycine.
Journal of natural products, Volume: 62, Issue: 3		1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (1)

ArticleYear
Antitumor activity and murine pharmacokinetics of parenteral acronycine.
Cancer research, Jan-15, Volume: 49, Issue: 2		1989
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (2)

ArticleYear
Synthesis and anti-proliferative activity of 2-hydroxy-1,2-dihydroacronycine glycosides.
Pharmaceutical research, Volume: 13, Issue: 6		1996
Antitumor activity and murine pharmacokinetics of parenteral acronycine.
Cancer research, Jan-15, Volume: 49, Issue: 2		1989
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Natural Sources (1)

ArticleYear
Alkylation of guanine in DNA by S23906-1, a novel potent antitumor compound derived from the plant alkaloid acronycine.
Biochemistry, Aug-06, Volume: 41, Issue: 31		2002
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]