CHEBI:132376 - wilforic acid

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ChEBI Name wilforic acid
Definition A pentacyclic triterpenoid with formula C29H42O4, originally isolated from Tripterygium sp.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C29H42O4
Net Charge 0
Average Mass 454.642
Monoisotopic Mass 454.30831
InChI InChI=1S/C29H42O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h15,21-22,30-31H,7-14,16H2,1-6H3,(H,32,33)/t21-,22+,25+,26+,27-,28+,29-/m0/s1
SMILES [C@@]12(CCC3=C(C=C(C(=C3C)O)O)[C@@]1(CC[C@@]4([C@@]2(CC[C@@]5([C@]4(C[C@@](CC5)(C(O)=O)C)[H])C)C)C)C)[H]
Metabolite of Species Details
Tripterygium (NCBI:txid123484) 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing wilforic acid (CHEBI:132376) has role plant metabolite (CHEBI:76924)
wilforic acid (CHEBI:132376) is a catechols (CHEBI:33566)
wilforic acid (CHEBI:132376) is a hydroxy monocarboxylic acid (CHEBI:35868)
wilforic acid (CHEBI:132376) is a pentacyclic triterpenoid (CHEBI:25872)
(2R,4aS,6aR,6bR,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,12b,13,14,14a,14b-hexadecahydropicene-2-carboxylic acid
Synonym Source
wilforic acid A ChEBI
Manual Xref Database
101707492 PubChem
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Registry Number Type Source
7779838 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17250858 PubMed citation Europe PMC
26331410 PubMed citation Europe PMC
Last Modified
25 October 2016