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CHEBI:65960 - gibberosin K

ChEBI IDCHEBI:65960
ChEBI Namegibberosin K
Stars
DefinitionA diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity.
Last Modified2 August 2013
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@]12CC/C(C)=C/CCC(=C)[C@]1([H])C[C@]2(C)C(=O)/C=C/C(C)(C)O
InChIInChI=1S/C20H30O2/c1-14-7-6-8-15(2)16-13-20(5,17(16)10-9-14)18(21)11-12-19(3,4)22/h7,11-12,16-17,22H,2,6,8-10,13H2,1,3-5H3/b12-11+,14-7+/t16-,17-,20-/m0/s1
InChIKeyHFOYWBKBWBSCMJ-CNEVOPABSA-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 K (CHEBI:65960) has role antineoplastic agent (CHEBI:35610)
gibberosin K (CHEBI:65960) has role metabolite (CHEBI:25212)
gibberosin K (CHEBI:65960) is a diterpenoid (CHEBI:23849)
gibberosin K (CHEBI:65960) is a ketone (CHEBI:17087)
gibberosin K (CHEBI:65960) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2E)-1-[(1R*,5E,9S*,10S*)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]-4-hydroxy-4-methylpent-2-en-1-one
Synonym  Source
(1S*,9R*,11S*,4E,13E)-15-hydroxyxeniphylla-4,8(19),13-trien-12 oneChEBI
Manual XrefsDatabases
23076670ChemSpider
Registry NumbersSources
Reaxys:11209790Reaxys
Citations