CHEBI:68415 - plakortolide R

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ChEBI Name plakortolide R
ChEBI ID CHEBI:68415
Definition An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H32O4
Net Charge 0
Average Mass 384.50850
Monoisotopic Mass 384.23006
InChI InChI=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
InChIKey VIBYZHWNCSGZMC-AANDXKHTSA-N
SMILES [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCC\C=C\C=C\c1ccccc1)OO2
Metabolite of Species Details
Plakinastrella clathrata (WORMS:169753) CH2Cl2/MeOH (1:1) extract of diced specimen 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing plakortolide R (CHEBI:68415) has role metabolite (CHEBI:25212)
plakortolide R (CHEBI:68415) is a γ-lactone (CHEBI:37581)
plakortolide R (CHEBI:68415) is a organic heterobicyclic compound (CHEBI:27171)
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 Number Type Source
21309197 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21261297 PubMed citation Europe PMC
Last Modified
02 May 2014