CHEBI:70002 - combretic acid A

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ChEBI Name combretic acid A
ChEBI ID CHEBI:70002
Definition A pentacyclic triterpenoid that is 9β,19-cyclolanostan-28-oic acid substituted by an acetyloxy group at position 7 and hydroxy groups at positions 3 and 25. It has been isolated from the leaves of Combretum quadrangulare.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H52O6
Net Charge 0
Average Mass 532.75170
Monoisotopic Mass 532.37639
InChI InChI=1S/C32H52O6/c1-19(9-8-12-27(3,4)37)21-10-13-29(6)25-22(38-20(2)33)17-23-30(7,26(35)36)24(34)11-14-31(23)18-32(25,31)16-15-28(21,29)5/h19,21-25,34,37H,8-18H2,1-7H3,(H,35,36)/t19-,21-,22+,23+,24+,25+,28-,29+,30+,31-,32+/m1/s1
InChIKey LOKNWCZJYFDEAJ-CGWCZXMOSA-N
SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@H](C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(O)=O)OC(C)=O
Metabolite of Species Details
Combretum quadrangulare (IPNI:170410-1) Found in leaf (BTO:0000713). Methanolic extract of leaves 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 combretic acid A (CHEBI:70002) has parent hydride cycloartane (CHEBI:37778)
combretic acid A (CHEBI:70002) has role plant metabolite (CHEBI:76924)
combretic acid A (CHEBI:70002) is a acetate ester (CHEBI:47622)
combretic acid A (CHEBI:70002) is a hydroxy monocarboxylic acid (CHEBI:35868)
combretic acid A (CHEBI:70002) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(4R*,7R*)-7-acetyloxy-3β,25-dihydroxy-9β,19-cyclolanostan-28-oic acid
Registry Number Type Source
21312861 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21265555 PubMed citation Europe PMC
Last Modified
09 January 2014