EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68422 - plakortone P

ChEBI IDCHEBI:68422
ChEBI Nameplakortone P
Stars
DefinitionAn organic heterobicyclic compound consisting of a γ-lactone ring fused onto a substituted tetrahydrofuran ring. It is isolated from the Australian marine sponge Plakinastrella clathrata.
Last Modified26 September 2013
DownloadsMolfile
FormulaC26H36O3
Net Charge0
Average Mass396.571
Monoisotopic Mass396.26645
SMILES[H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCC/C=C/C=C/c1ccccc1)O2
InChIInChI=1S/C26H36O3/c1-25(21-26(2)23(28-25)20-24(27)29-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25-,26-/m0/s1
InChIKeyLGZDFDBLNWEDBR-NZGJWSFPSA-N
Species of MetaboliteComponentSourceComments
Plakinastrella clathrata (WORMS:169753) - PubMed (21261297) CH2Cl2/MeOH (1:1) extract of diced specimen
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)
plakortone P (CHEBI:68422) has role metabolite (CHEBI:25212)
plakortone P (CHEBI:68422) is a organic heterobicyclic compound (CHEBI:27171)
plakortone P (CHEBI:68422) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aS,5S,6aS)-5,6a-dimethyl-5-[(9E,11E)-12-phenyldodeca-9,11-dien-1-yl]tetrahydrofuro[3,2-b]furan-2(3H)-one
Registry NumbersSources
Reaxys:21309198Reaxys
Citations