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CHEBI:69999 - combretanone E

ChEBI IDCHEBI:69999
ChEBI Namecombretanone E
Stars
DefinitionA pentacyclic triterpenoid that is 9β,19-cyclolanost-25-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 24. 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)CCC(C)(O)C(=C)C
InChIInChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1
InChIKeyDYFQGNVJYMAFHT-XPZPHRGNSA-N
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
combretanone E (CHEBI:69999) has parent hydride cycloartane (CHEBI:37778)
combretanone E (CHEBI:69999) has role metabolite (CHEBI:25212)
combretanone E (CHEBI:69999) has role plant metabolite (CHEBI:76924)
combretanone E (CHEBI:69999) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone E (CHEBI:69999) is a cyclic terpene ketone (CHEBI:36130)
combretanone E (CHEBI:69999) is a diol (CHEBI:23824)
combretanone E (CHEBI:69999) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
7β,24-dihydroxy-24-methyl-9β,19-cyclolanost-25-en-3-one
Registry NumbersSources
Reaxys:21312860Reaxys
Citations