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CHEBI:65961 - gibberosin L

ChEBI IDCHEBI:65961
ChEBI Namegibberosin L
Stars
DefinitionA diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity.
Last Modified2 August 2013
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H][C@]12CC/C(C)=C/CCC(=C)[C@]1([H])C[C@]2(C)C(=O)CC=C(C)C
InChIInChI=1S/C20H30O/c1-14(2)9-12-19(21)20(5)13-17-16(4)8-6-7-15(3)10-11-18(17)20/h7,9,17-18H,4,6,8,10-13H2,1-3,5H3/b15-7+/t17-,18-,20-/m0/s1
InChIKeyYRSZRXAWRABNPZ-SVLWDQMVSA-N
Species of MetaboliteComponentSourceComments
Sinularia gibberosa (WORMS:288527) - PubMed (17917291)
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
gibberosin L (CHEBI:65961) has role antineoplastic agent (CHEBI:35610)
gibberosin L (CHEBI:65961) has role metabolite (CHEBI:25212)
gibberosin L (CHEBI:65961) is a diterpenoid (CHEBI:23849)
gibberosin L (CHEBI:65961) is a ketone (CHEBI:17087)
IUPAC Name 
1-[(1R*,5E,9S*,10S*)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]-4-methylpent-3-en-1-one
Synonym  Source
(1S*,9R*,11S*,4E)-xeniaphylla-4,8(19),14-trien-12-oneChEBI
Manual XrefsDatabases
23076671ChemSpider
Registry NumbersSources
Reaxys:11209791Reaxys
Citations