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CHEBI:70001 - combretanone G

ChEBI IDCHEBI:70001
ChEBI Namecombretanone G
Stars
DefinitionA 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.
Last Modified28 March 2017
DownloadsMolfile
FormulaC31H50O3
Net Charge0
Average Mass470.738
Monoisotopic Mass470.37600
SMILES[H][C@@]12[C@@H](O)C[C@@]3([H])C(C)(C)C(=O)CC[C@@]34C[C@]41CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)C/C=C/C(C)(C)OC
InChIInChI=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
InChIKeyPSQJXRKLAZZNHC-OLKLHFONSA-N
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:21312857Reaxys
Citations