Compounds > threo-alpha-methylisocitrate
Page last updated: 2024-09-19

threo-alpha-methylisocitrate

Description

threo-alpha-methylisocitrate: RN given refers to cpd without specific stereochemistry; designated cpd not in Chemline 11/1/79 [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

3-hydroxybutane-1,2,3-tricarboxylic acid : A tricarboxylic acid that is butan-2-ol in which a hydrogen from each of positions 2, 3, and 4 has been replaced by carboxy groups. [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]

Cross-References

ID SourceID
PubMed CID513
CHEBI ID142525
SCHEMBL ID321093
MeSH IDM0075516

Synonyms (18)

Synonym
3-hydroxy-1,2,3-butanetricarboxylate
8518ec1z2e ,
1,2,3-butanetricarboxylic acid, 3-hydroxy-
unii-8518ec1z2e
dl-threo-alpha-methylisocitrate
alpha-methylisocitrate
threo-alpha-methylisocitrate
d.l-methylisocitrate
6061-95-6
CHEBI:142525
3-hydroxybutane-1,2,3-tricarboxylic acid
3-carboxy-2,3-dideoxy-4-c-methylpentaric acid
SCHEMBL321093
(2r,3s)2-methylisocitrate
dl-methylisocitric acid
3-hydroxy-1,2,3-butanetricarboxylic acid
methyl isocitric acid
DTXSID20976051

Drug Classes (3)

ClassDescription
tricarboxylic acidAn oxoacid containing three carboxy groups.
methylisocitric acidA tricarboxylic acid that is isocitric acid substituted by a methyl group alpha- to one of the carboxylic acid groups.
tertiary alcoholA tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19903 (50.00)18.7374
1990's2 (33.33)18.2507
2000's1 (16.67)29.6817
2010's0 (0.00)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%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
aconitic acid[no description available]medium20tricarboxylic acid
deuterium[no description available]medium10dihydrogen
deuterium oxide[no description available]medium10deuterated compound;
water		NMR solvent
ammonium chloride[no description available]medium20ammonium salt;
inorganic chloride		ferroptosis inhibitor
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
nadp[no description available]medium20
2-methylcitric acid[no description available]medium20tricarboxylic acid
propionic acid[no description available]medium10saturated fatty acid;
short-chain fatty acid		antifungal drug
pyruvic acid[no description available]medium102-oxo monocarboxylic acidcofactor;
fundamental metabolite
nad[no description available]medium10organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
citric acid, anhydrous[no description available]low00tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
pqq cofactor[no description available]low00orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid		anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role)
isocitric acid[no description available]low00secondary alcohol;
tricarboxylic acid		fundamental metabolite
aurintricarboxylic acid[no description available]low00monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist
nitrilotriacetic acid[no description available]low00NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
trimellitic acid[no description available]low00tricarboxylic acid
trimesic acid[no description available]low00benzoic acids;
tricarboxylic acid
tricarballylic acid[no description available]low00tricarboxylic acid
glycyrrhizic acid[no description available]low00enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin		EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite
homocitric acid[no description available]low00tricarboxylic acid
nopaline[no description available]low00amino acid opine;
D-glutamic acid derivative;
guanidines;
L-arginine derivative;
secondary amino compound;
tricarboxylic acid
acromelic acid a[no description available]low00pyridone;
pyrrolidinecarboxylic acid;
tricarboxylic acid		fungal metabolite;
neurotoxin;
NMDA receptor agonist
tris(2-carboxyethyl)phosphine[no description available]low00phosphine derivative;
tricarboxylic acid		reducing agent
2'-deoxymugineic acid[no description available]low00tricarboxylic acid
homoisocitric acid[no description available]low00tricarboxylic acid
domoic acid[no description available]low00L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
bongkrekic acid[no description available]low00ether;
olefinic compound;
tricarboxylic acid		apoptosis inhibitor;
ATP/ADP translocase inhibitor;
bacterial metabolite;
EC 2.5.1.18 (glutathione transferase) inhibitor;
toxin
squalestatin 1[no description available]low00acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite
trachyspic acid[no description available]low00oxaspiro compound;
tricarboxylic acid		EC 3.2.1.166 (heparanase) inhibitor;
fungal metabolite
vibrioferrin[no description available]low00carboxylic ester;
N-acyl hemiaminal;
pyrrolidin-2-ones;
tertiary alcohol;
tricarboxylic acid		marine metabolite;
siderophore
zaragozic acid c[no description available]low00acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite
s-(1,2-dicarboxyethyl)cysteine[no description available]low00L-cysteine thioether;
tricarboxylic acid		human metabolite;
Maillard reaction product
staphyloferrin b[no description available]low00oxo carboxylic acid;
tertiary alcohol;
tricarboxylic acid amide;
tricarboxylic acid		bacterial metabolite;
siderophore
meglutol[no description available]low003-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol		anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite
bicalutamide[no description available]low00(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
biperiden[no description available]low00piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
cyclopentolate[no description available]low00carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic
cycrimine[no description available]low00piperidines;
tertiary alcohol;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
diphenidol[no description available]low00benzenes;
piperidines;
tertiary alcohol		antiemetic
fluconazole[no description available]low00conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
haloperidol[no description available]low00aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
heptaminol[no description available]low00tertiary alcohol
loperamide[no description available]low00monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
oxybutynin[no description available]low00acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
pridinol[no description available]low00piperidines;
tertiary alcohol		antiparkinson drug;
muscle relaxant
procyclidine[no description available]low00pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
ultram[no description available]low00aromatic ether;
tertiary alcohol;
tertiary amino compound
venlafaxine[no description available]low00cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
chlorobutanol[no description available]low00tertiary alcohol
vincristine[no description available]low00acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
norethindrone[no description available]low0017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
tert-butyl alcohol[no description available]low00tertiary alcoholhuman xenobiotic metabolite
tert-amyl alcohol[no description available]low00aliphatic alcohol;
tertiary alcohol		protic solvent
linalool[no description available]low00monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
hydroxycitronellal[no description available]low00tertiary alcoholallergen;
fragrance
3-hydroxy-3-methylbutene[no description available]low00olefinic compound;
tertiary alcohol		animal metabolite;
fragrance;
pheromone;
plant metabolite
dicofol[no description available]low00monochlorobenzenes;
organochlorine acaricide;
tertiary alcohol
hematoxylin[no description available]low00organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol		histological dye;
plant metabolite
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
2-phenyl-2-propanol[no description available]low00benzyl alcohols;
tertiary alcohol		human xenobiotic metabolite;
Mycoplasma genitalium metabolite
ethylestrenol[no description available]low0017beta-hydroxy steroid;
tertiary alcohol		anabolic agent
tridihexethyl[no description available]low00quaternary ammonium ion;
tertiary alcohol		anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
camptothecin[no description available]low00delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
stanozolol[no description available]low0017beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol		anabolic agent;
androgen
ancymidol[no description available]low00pyrimidines;
tertiary alcohol		cellulose synthesis inhibitor;
gibberellin biosynthesis inhibitor;
plant growth retardant
butaclamol[no description available]low00amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist
vindesine[no description available]low00methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent
fenarimol[no description available]low00monochlorobenzenes;
pyrimidines;
tertiary alcohol
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
cedrol[no description available]low00cedrane sesquiterpenoid;
tertiary alcohol
hexaconazole[no description available]low00dichlorobenzene;
tertiary alcohol;
triazoles		chelator
voriconazole[no description available]low00conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
warburganal[no description available]low00tertiary alcohol
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
tebuconazole[no description available]low00monochlorobenzenes;
tertiary alcohol;
triazoles
cyproconazole[no description available]low00cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
triazoles
metconazole[no description available]low00conazole fungicide;
cyclopentanols;
monochlorobenzenes;
tertiary alcohol;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
(1-hydroxycyclopentyl)phenylacetic acid[no description available]low00monocarboxylic acid;
tertiary alcohol
beta-eudesmol[no description available]low00carbobicyclic compound;
eudesmane sesquiterpenoid;
tertiary alcohol		volatile oil component
flutriafol[no description available]low00monofluorobenzenes;
tertiary alcohol;
triazoles
elemol[no description available]low00olefinic compound;
sesquiterpenoid;
tertiary alcohol		fragrance;
plant metabolite
biperiden hydrochloride[no description available]low00hydrochloride;
piperidines;
tertiary alcohol		antiparkinson drug;
muscarinic antagonist;
parasympatholytic
spathulenol[no description available]low00carbotricyclic compound;
olefinic compound;
sesquiterpenoid;
tertiary alcohol		anaesthetic;
plant metabolite;
vasodilator agent;
volatile oil component
alpha-eudesmol[no description available]low00eudesmane sesquiterpenoid;
octahydronaphthalenes;
tertiary alcohol		volatile oil component
sporidesmin[no description available]low00aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator
aeroplysinin i[no description available]low00tertiary alcohol
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
paxilline[no description available]low00diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker
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
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
megestrol acetate[no description available]low00bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol		GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite
aclacinomycin[no description available]low00aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite
columbianetin[no description available]low00furanocoumarin;
tertiary alcohol
aklavinone[no description available]low00anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent
t-cadinol[no description available]low00cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		plant metabolite;
volatile oil component
withanolide d[no description available]low0020-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent
diplopterol[no description available]low00hopanoid;
pentacyclic triterpenoid;
tertiary alcohol		plant metabolite
inuviscolide[no description available]low00gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone;
tertiary alcohol		anti-inflammatory agent;
plant metabolite
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
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
Ovalicine subst.[no description available]low00tertiary alcohol
homoharringtonine[no description available]low00alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
deltaline[no description available]low00acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound
phorbol[no description available]low00cyclic ketone;
enone;
tertiary alcohol;
tertiary alpha-hydroxy ketone;
tetracyclic diterpenoid
picrotin[no description available]low00diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite
picrotoxinin[no description available]low00epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist
cinnamodial[no description available]low00tertiary alcohol
theogallin[no description available]low00gallate ester;
monocarboxylic acid;
tertiary alcohol
kt 5720[no description available]low00carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
ravuconazole[no description available]low001,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles		antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor
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
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
efinaconazole[no description available]low00conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
manool[no description available]low00labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite
t-muurolol[no description available]low00cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component
blister[no description available]low00cyclic ketone;
pyrroloquinoline;
tertiary alcohol;
tertiary alpha-hydroxy ketone		inhibitor
senecionine[no description available]low00lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
azadirachtin[no description available]low00acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol		hepatoprotective agent
ophiobolin a[no description available]low00cyclic ketone;
enal;
oxaspiro compound;
sesterterpenoid;
tertiary alcohol
josamycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite
ethisterone[no description available]low0017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin
naloxone[no description available]low00morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
lasalocid[no description available]low00beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore
rhodopin[no description available]low00carotenol;
tertiary alcohol		bacterial metabolite
bedaquiline[no description available]low00aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor
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
riddelliine n-oxide[no description available]low00diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite
asukamycin[no description available]low00enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite
bacterioruberin[no description available]low00C50 carotenoid;
tertiary alcohol;
tetrol		bacterial metabolite;
biological pigment
prothioconazole[no description available]low00cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
thiocarbonyl compound;
triazoles
yunaconitine[no description available]low00acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
isavuconazole[no description available]low001,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug
grayanotoxin i[no description available]low00acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid		antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin
n-demethylloperamide[no description available]low00monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		drug metabolite
tmc-95a[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor
yw 3548[no description available]low00olefinic compound;
terpene lactone;
tertiary alcohol		fungal metabolite;
glycerophosphoinositol synthesis inhibitor
arisugacin[no description available]low00aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
alpha-cadinol[no description available]low00cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		fungicide;
plant metabolite;
volatile oil component
hydroxyibuprofen[no description available]low00hydroxy monocarboxylic acid;
tertiary alcohol		drug metabolite
tmc-95b[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor
homocamptothecin[no description available]low00epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
ossamycin[no description available]low00cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite
bms 477118[no description available]low00adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
cubebol[no description available]low00carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol
myrocin a[no description available]low00tertiary alcoholmetabolite
diversonol[no description available]low00phenols;
tertiary alcohol		antibacterial agent;
metabolite
viridiflorol[no description available]low00carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol		anti-inflammatory agent;
antifeedant;
antimycobacterial drug;
plant metabolite;
volatile oil component
oplodiol[no description available]low00carbobicyclic compound;
octahydronaphthalenes;
secondary alcohol;
sesquiterpenoid;
tertiary alcohol		plant metabolite
kt 5926[no description available]low00gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound;
tertiary alcohol		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
methampicillin[no description available]low00monochlorobenzenes;
tertiary alcohol;
triazoles		brassinosteroid biosynthesis inhibitor
aflatoxin m1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite
vibsanin b[no description available]low00cyclic terpene ketone;
enone;
tertiary alcohol;
vibsane diterpenoid		plant growth retardant;
plant metabolite
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
germacradienol[no description available]low00germacrane sesquiterpenoid;
tertiary alcohol
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
azd 7545[no description available]low00benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent
benzoylaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite
berkeleydione[no description available]low00beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite
berkeleytrione[no description available]low00beta-diketone;
carbopolycyclic compound;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
tertiary alcohol;
tertiary alpha-hydroxy ketone		cysteine protease inhibitor;
Penicillium metabolite
bromophycolide a[no description available]low00diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite
caribenol a[no description available]low00organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite
benzoylmesaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite
papuamide b[no description available]low00cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol		anti-HIV-1 agent;
antineoplastic agent;
marine metabolite
staphyloferrin a[no description available]low00D-ornithine derivative;
pentacarboxylic acid;
tertiary alcohol;
tricarboxylic acid amide		bacterial metabolite;
siderophore
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
gardenoside[no description available]low00beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite
asperfuranone[no description available]low002-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite
naloxegol[no description available]low00aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles
praliciguat[no description available]low00aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
ambrein[no description available]low00tertiary alcohol;
triterpenoid		hypoglycemic agent;
mammalian metabolite
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
aurachin a[no description available]low00A-type aurachin;
furoquinoline;
quinoline N-oxide;
tertiary alcohol		antibacterial agent;
bacterial metabolite
cyclooctatin[no description available]low00carbotricyclic compound;
diterpenoid;
primary alcohol;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
EC 3.1.1.5 (lysophospholipase) inhibitor
grayanotoxin ii[no description available]low00tertiary alcohol
ConditionIndicatedRelationship StrengthStudiesTrials