CHEBI:132378 - wilforol A

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ChEBI Name wilforol A
Definition A pentacyclic triterpenoid with formula C29H38O5, originally isolated from the stems of Tripterygium regelii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C29H38O5
Net Charge 0
Average Mass 466.610
Monoisotopic Mass 466.27192
InChI InChI=1S/C29H38O5/c1-16-22-17(13-19(31)23(16)32)27(4)10-12-29(6)21-15-26(3,24(33)34)8-7-25(21,2)9-11-28(29,5)20(27)14-18(22)30/h13-14,21,31-32H,7-12,15H2,1-6H3,(H,33,34)/t21-,25-,26-,27+,28-,29+/m1/s1
SMILES C12=CC(C3=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)=O
Metabolite of Species Details
Tripterygium regelii (NCBI:txid123485) Found in stem (BTO:0001300). 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 wilforol A (CHEBI:132378) has role plant metabolite (CHEBI:76924)
wilforol A (CHEBI:132378) is a catechols (CHEBI:33566)
wilforol A (CHEBI:132378) is a cyclic terpene ketone (CHEBI:36130)
wilforol A (CHEBI:132378) is a enone (CHEBI:51689)
wilforol A (CHEBI:132378) is a hydroxy monocarboxylic acid (CHEBI:35868)
wilforol A (CHEBI:132378) is a pentacyclic triterpenoid (CHEBI:25872)
(2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Manual Xref Database
10096097 PubChem
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Registry Numbers Types Sources
167882-66-8 CAS Registry Number PubChem
7320132 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
26331410 PubMed citation Europe PMC
27425447 PubMed citation Europe PMC
Last Modified
25 October 2016