EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69009 - 3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone

ChEBI IDCHEBI:69009
ChEBI Name3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
Stars
DefinitionA natural product found in Dysoxylum lenticellatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H38O3
Net Charge0
Average Mass398.587
Monoisotopic Mass398.28210
SMILES[H][C@]1([C@]2([H])CC[C@]3(C)C4=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]5(C)[C@@]4([H])CC[C@@]23C)COC(=O)C1
InChIInChI=1S/C26H38O3/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)27)9-13-25(4)17(8-12-26(19,25)5)16-14-22(28)29-15-16/h6,16-18,20H,7-15H2,1-5H3/t16-,17+,18+,20+,24-,25+,26-/m1/s1
InChIKeyBWKLKUMHNBYPDA-APSMHXCZSA-N
Species of MetaboliteComponentSourceComments
Dysoxylum lenticellatum (IPNI:578201-1)
twig (BTO:0001411) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
leaf (BTO:0000713) PubMed (21954912) 95% Ethanolic extract of air-dried, powdered leaves and twigs.
Roles Classification
Biological Role:
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)
3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone (CHEBI:69009) has role metabolite (CHEBI:25212)
3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone (CHEBI:69009) is a steroid lactone (CHEBI:26766)
Synonym  Source
(5alpha,13alpha,17alpha,20S)-4,4,14-Trimethyl-3-oxocard-7-enolideChEBI
Manual XrefsDatabases
26636632ChemSpider
Citations