CHEBI:70001 - combretanone G

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ChEBI Name combretanone G
ChEBI ID CHEBI:70001
Definition A pentacyclic triterpenoid that is 9β,19-cyclolanost-25-ene substituted by an oxo group at position 3, a hydroxy group at position 7 and a methoxy group at position 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 C31H50O3
Net Charge 0
Average Mass 470.72690
Monoisotopic Mass 470.37600
InChI InChI=1S/C31H50O3/c1-20(10-9-13-26(2,3)34-8)21-11-14-29(7)25-22(32)18-23-27(4,5)24(33)12-15-30(23)19-31(25,30)17-16-28(21,29)6/h9,13,20-23,25,32H,10-12,14-19H2,1-8H3/b13-9+/t20-,21-,22+,23+,25+,28-,29+,30-,31+/m1/s1
InChIKey PSQJXRKLAZZNHC-OLKLHFONSA-N
SMILES COC(C)(C)\C=C\C[C@@H](C)[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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 G (CHEBI:70001) has parent hydride cycloartane (CHEBI:37778)
combretanone G (CHEBI:70001) has role metabolite (CHEBI:25212)
combretanone G (CHEBI:70001) has role plant metabolite (CHEBI:76924)
combretanone G (CHEBI:70001) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone G (CHEBI:70001) is a cyclic terpene ketone (CHEBI:36130)
combretanone G (CHEBI:70001) is a ether (CHEBI:25698)
combretanone G (CHEBI:70001) is a pentacyclic triterpenoid (CHEBI:25872)
combretanone G (CHEBI:70001) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(23E)-7β-hydroxy-25-methoxy-9β,19-cyclolanost-23-en-3-one
Registry Number Type Source
21312857 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21265555 PubMed citation Europe PMC
Last Modified
28 March 2017