CHEBI:69995 - combretanone A

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ChEBI Name combretanone A
ChEBI ID CHEBI:69995
Definition A pentacyclic triterpenoid that is 9β,19-cyclolanostane substituted by an oxo group at position 3 and hydroxy groups at positions 7, 23R*, 24R* 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 C30H50O5
Net Charge 0
Average Mass 490.71500
Monoisotopic Mass 490.36582
InChI InChI=1S/C30H50O5/c1-17(14-20(32)24(34)26(4,5)35)18-8-10-28(7)23-19(31)15-21-25(2,3)22(33)9-11-29(21)16-30(23,29)13-12-27(18,28)6/h17-21,23-24,31-32,34-35H,8-16H2,1-7H3/t17-,18-,19+,20-,21+,23+,24-,27-,28+,29-,30+/m1/s1
InChIKey SOMSTXFUASXCDL-MUQQDHFJSA-N
SMILES C[C@H](C[C@@H](O)[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Metabolite of Species Details
Combretum quadrangulare (IPNI:170410-1) Found in leaf (BTO:0000713). Methanolic extract of leaves See: PubMed
Roles Classification
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 combretanone A (CHEBI:69995) has parent hydride cycloartane (CHEBI:37778)
combretanone A (CHEBI:69995) has role plant metabolite (CHEBI:76924)
combretanone A (CHEBI:69995) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone A (CHEBI:69995) is a cyclic terpene ketone (CHEBI:36130)
combretanone A (CHEBI:69995) is a pentacyclic triterpenoid (CHEBI:25872)
combretanone A (CHEBI:69995) is a tetrol (CHEBI:33573)
IUPAC Name
(23R*,24R*)-7β,23,24,25-tetrahydroxy-9β,19-cyclolanostan-3-one
Registry Number Type Source
21312862 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21265555 PubMed citation Europe PMC
Last Modified
28 March 2017