CHEBI:65419 - aplysinoplide B

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ChEBI Name aplysinoplide B
ChEBI ID CHEBI:65419
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 C25H38O5
Net Charge 0
Average Mass 418.56620
Monoisotopic Mass 418.27192
InChI InChI=1S/C25H38O5/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19(16-26)11-13-22(27)20-15-23(28)30-24(20)29/h7,11,15,22,24,26-27,29H,5-6,8-10,12-14,16H2,1-4H3/b17-7+,19-11+
InChIKey KSNNYMFBQQASJN-QGQXVBDASA-N
SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C/CC(O)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 B (CHEBI:65419) has role antineoplastic agent (CHEBI:35610)
aplysinoplide B (CHEBI:65419) has role metabolite (CHEBI:25212)
aplysinoplide B (CHEBI:65419) is a butenolide (CHEBI:50523)
aplysinoplide B (CHEBI:65419) is a primary alcohol (CHEBI:15734)
aplysinoplide B (CHEBI:65419) is a secondary alcohol (CHEBI:35681)
aplysinoplide B (CHEBI:65419) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
5-hydroxy-4-[(3E,7E)-1-hydroxy-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]furan-2(5H)-one
Registry Number Type Source
18836365 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18461996 PubMed citation Europe PMC
Last Modified
07 November 2012