CHEBI:65418 - aplysinoplide A

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ChEBI Name aplysinoplide A
ChEBI ID CHEBI:65418
Definition A sesterterpenoid isolated from the marine sponge Aplysinopsis digitata that exhibits cytotoxicity against P388 mouse leukemia cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H36O4
Net Charge 0
Average Mass 400.55090
Monoisotopic Mass 400.26136
InChI InChI=1S/C25H36O4/c1-18(13-14-22-19(2)9-7-15-25(22,3)4)8-5-10-20(17-26)11-6-12-21-16-23(27)29-24(21)28/h6,8,11-12,16,24,26,28H,5,7,9-10,13-15,17H2,1-4H3/b12-6+,18-8+,20-11+
InChIKey IXZLFRIHNOJYGA-QGBXNASSSA-N
SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C/C=C/C1=CC(=O)OC1O
Metabolite of Species Details
Aplysinopsis digitata (WORMS:190040) 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aplysinoplide A (CHEBI:65418) has role antineoplastic agent (CHEBI:35610)
aplysinoplide A (CHEBI:65418) has role metabolite (CHEBI:25212)
aplysinoplide A (CHEBI:65418) is a butenolide (CHEBI:50523)
aplysinoplide A (CHEBI:65418) is a primary alcohol (CHEBI:15734)
aplysinoplide A (CHEBI:65418) is a secondary alcohol (CHEBI:35681)
aplysinoplide A (CHEBI:65418) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
5-hydroxy-4-[(1E,3E,7E)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-1,3,7-trien-1-yl]furan-2(5H)-one
Registry Number Type Source
18836364 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18461996 PubMed citation Europe PMC
Last Modified
07 November 2012