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CHEBI:69995 - combretanone A

ChEBI IDCHEBI:69995
ChEBI Namecombretanone A
Stars
DefinitionA 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.
Last Modified28 March 2017
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
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@@H](O)[C@@H](O)C(C)(C)O
InChIInChI=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
InChIKeySOMSTXFUASXCDL-MUQQDHFJSA-N
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
Roles Classification
Biological Role:
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 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 NumbersSources
Reaxys:21312862Reaxys
Citations