CHEBI:68422 - plakortone P

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ChEBI Name plakortone P
ChEBI ID CHEBI:68422
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H36O3
Net Charge 0
Average Mass 396.56220
Monoisotopic Mass 396.26645
InChI InChI=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
InChIKey LGZDFDBLNWEDBR-NZGJWSFPSA-N
SMILES [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCC\C=C\C=C\c1ccccc1)O2
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 plakortone P (CHEBI:68422) has role metabolite (CHEBI:25212)
plakortone P (CHEBI:68422) is a γ-lactone (CHEBI:37581)
plakortone P (CHEBI:68422) is a organic heterobicyclic compound (CHEBI:27171)
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 Number Type Source
21309198 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21261297 PubMed citation Europe PMC
Last Modified
26 September 2013