CHEBI:69998 - combretanone D

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ChEBI Name combretanone D
ChEBI ID CHEBI:69998
Definition A pentacyclic triterpenoid that is 9β,19-cyclolanost-24-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 23. 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 C30H48O3
Net Charge 0
Average Mass 456.70030
Monoisotopic Mass 456.36035
InChI InChI=1S/C30H48O3/c1-18(2)14-20(31)15-19(3)21-8-10-28(7)25-22(32)16-23-26(4,5)24(33)9-11-29(23)17-30(25,29)13-12-27(21,28)6/h14,19-23,25,31-32H,8-13,15-17H2,1-7H3/t19-,20+,21-,22+,23+,25+,27-,28+,29-,30+/m1/s1
InChIKey QDIQNEFJFYZXIU-VOEAOCOZSA-N
SMILES C[C@H](C[C@@H](O)C=C(C)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): 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 D (CHEBI:69998) has parent hydride cycloartane (CHEBI:37778)
combretanone D (CHEBI:69998) has role plant metabolite (CHEBI:76924)
combretanone D (CHEBI:69998) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone D (CHEBI:69998) is a cyclic terpene ketone (CHEBI:36130)
combretanone D (CHEBI:69998) is a diol (CHEBI:23824)
combretanone D (CHEBI:69998) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(23R)-7β,23-dihydroxy-9β,19-cyclolanost-24-en-3-one
Registry Number Type Source
21312858 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21265555 PubMed citation Europe PMC
Last Modified
28 March 2017