CHEBI:67823 - lupenone

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ChEBI Name lupenone
ChEBI ID CHEBI:67823
Definition A natural product found in Cupania cinerea.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H48O
Net Charge 0
Average Mass 424.70150
Monoisotopic Mass 424.37052
InChI InChI=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
InChIKey GRBHNQFQFHLCHO-BHMAJAPKSA-N
SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)=C)[C@]21[H]
Metabolite of Species Details
Cupania cinerea (NCBI:txid298314) Found in bark (BTO:0001301). Crude n-hexane extract of dried and powdered bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
Lup-20(29)-en-3-one ChEBI
lupeone ChEBI
Manual Xref Database
C16990 KEGG COMPOUND
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Registry Numbers Types Sources
1617-70-5 CAS Registry Number KEGG COMPOUND
1617-70-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21438586 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:steroid(CHEBI:35341); ISA:cyclohexanones(CHEBI:23482);