CHEBI:132352 - triptoquinone A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name triptoquinone A
Definition A tricyclic diterpenoid with formula C20H24O4, originally isolated from Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C20H24O4
Net Charge 0
Average Mass 328.403
Monoisotopic Mass 328.16746
InChI InChI=1S/C20H24O4/c1-10(2)14-9-16(21)17-13(18(14)22)5-6-15-11(3)12(19(23)24)7-8-20(15,17)4/h9-10,15H,5-8H2,1-4H3,(H,23,24)/t15-,20-/m0/s1
SMILES O=C1C=2[C@@]3([C@@](CCC2C(=O)C(=C1)C(C)C)(C(=C(CC3)C(O)=O)C)[H])C
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC (nitric oxide synthase) inhibitor
An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC
View more via ChEBI Ontology
ChEBI Ontology
Outgoing triptoquinone A (CHEBI:132352) has role EC (nitric oxide synthase) inhibitor (CHEBI:61908)
triptoquinone A (CHEBI:132352) has role plant metabolite (CHEBI:76924)
triptoquinone A (CHEBI:132352) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
triptoquinone A (CHEBI:132352) is a p-quinones (CHEBI:25830)
triptoquinone A (CHEBI:132352) is a abietane diterpenoid (CHEBI:36762)
triptoquinone A (CHEBI:132352) is a carbotricyclic compound (CHEBI:38032)
triptoquinone A (CHEBI:132352) is a cyclic terpene ketone (CHEBI:36130)
triptoquinone A (CHEBI:132352) is a tricyclic diterpenoid (CHEBI:79084)
(4aS,10aS)-1,4a-dimethyl-5,8-dioxo-7-(propan-2-yl)-3,4,4a,5,8,9,10,10a-octahydrophenanthrene-2-carboxylic acid
Synonym Source
(4aS-trans)-3,4,4a,5,8,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-5,8-dioxo-2-phenanthrenecarboxylic acid ChemIDplus
Manual Xrefs Databases
132524 PubChem
C00035774 KNApSAcK
View more database links
Registry Numbers Types Sources
142950-86-5 CAS Registry Number KNApSAcK
142950-86-5 CAS Registry Number ChemIDplus
5450180 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25047514 PubMed citation Europe PMC
8699928 PubMed citation Europe PMC
8702429 PubMed citation Europe PMC
Last Modified
24 October 2016