CHEBI:132614 - triptohairic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name triptohairic acid
ChEBI ID CHEBI:132614
Definition A tricyclic diterpenoid having formula C21H28O2, originally isolated from the roots of Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C21H28O3
Net Charge 0
Average Mass 328.446
Monoisotopic Mass 328.20384
InChI InChI=1S/C21H28O3/c1-12(2)16-10-14-6-7-17-13(3)15(20(22)23)8-9-21(17,4)18(14)11-19(16)24-5/h10-12,17H,6-9H2,1-5H3,(H,22,23)/t17-,21-/m0/s1
InChIKey DJRFNRVSOMFEMZ-UWJYYQICSA-N
SMILES O(C=1C=C2[C@@]3([C@@](CCC2=CC1C(C)C)(C(=C(CC3)C(O)=O)C)[H])C)C
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) See: PubMed
Tripterygium wilfordii (NCBI:txid458696) Found in root (BTO:0001188). See: Asian Journal of Chemistry . 2014, Vol. 26 Issue 14, p4344-4346
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing triptohairic acid (CHEBI:132614) has role plant metabolite (CHEBI:76924)
triptohairic acid (CHEBI:132614) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
triptohairic acid (CHEBI:132614) is a aromatic ether (CHEBI:35618)
triptohairic acid (CHEBI:132614) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name
(4aS,10aS)-6-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid
Registry Number Type Source
8228973 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24549173 PubMed citation Europe PMC
Last Modified
23 November 2016