EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68415 - plakortolide R

ChEBI IDCHEBI:68415
ChEBI Nameplakortolide R
Stars
DefinitionAn organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
Last Modified2 May 2014
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILES[H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCC/C=C/C=C/c1ccccc1)OO2
InChIInChI=1S/C24H32O4/c1-23(19-24(2)21(27-28-23)18-22(25)26-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h5,7,9-12,14-16,21H,3-4,6,8,13,17-19H2,1-2H3/b7-5+,14-10+/t21-,23-,24-/m0/s1
InChIKeyVIBYZHWNCSGZMC-AANDXKHTSA-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)
plakortolide R (CHEBI:68415) has role metabolite (CHEBI:25212)
plakortolide R (CHEBI:68415) is a organic heterobicyclic compound (CHEBI:27171)
plakortolide R (CHEBI:68415) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S,4aS,7aS)-3,4a-dimethyl-3-[(7E,9E)-10-phenyldeca-7,9-dien-1-yl]tetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
Registry NumbersSources
Reaxys:21309197Reaxys
Citations