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CHEBI:67823 - lupenone

ChEBI IDCHEBI:67823
ChEBI Namelupenone
Stars
DefinitionA natural product found in Cupania cinerea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O
Net Charge0
Average Mass424.713
Monoisotopic Mass424.37052
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
InChIKeyGRBHNQFQFHLCHO-BHMAJAPKSA-N
Species of MetaboliteComponentSourceComments
Cupania cinerea (ncbitaxon:298314) bark (BTO:0001301) PubMed (21438586) Crude n-hexane extract of dried and powdered bark
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)
lupenone (CHEBI:67823) has parent hydride lupane (CHEBI:36485)
lupenone (CHEBI:67823) has role metabolite (CHEBI:25212)
lupenone (CHEBI:67823) is a triterpenoid (CHEBI:36615)
Synonyms  Source
Lup-20(29)-en-3-oneChEBI
lupeoneChEBI
Manual XrefsDatabases
C16990KEGG COMPOUND
Registry NumbersSources
CAS:1617-70-5ChemIDplus
CAS:1617-70-5KEGG COMPOUND
Citations