CHEBI:65383 - alisiaquinone B

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ChEBI Name alisiaquinone B
ChEBI ID CHEBI:65383
Definition A heteropentacyclic compound that is the 9-methoxy derivative of alisiaquinone A. An antiplasmodial drug isolated from New Caledonian deep water sponge.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H22O6
Net Charge 0
Average Mass 382.40650
Monoisotopic Mass 382.14164
InChI InChI=1S/C22H22O6/c1-20-5-4-6-21(2)14-8-11-12(17(24)16(27-3)9-15(11)23)7-13(14)18(25)22(26,19(20)21)28-10-20/h7-9,19,26H,4-6,10H2,1-3H3/t19-,20-,21-,22+/m1/s1
InChIKey FYMHBDYBAOKOHD-YSFYHYPLSA-N
SMILES [H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4C(=O)C=C(OC)C(=O)c4cc1C(=O)[C@]2(O)OC3
Metabolite of Species Details
Deep water sp.nge 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.
antiplasmodial drug
An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
Application(s): antiplasmodial drug
An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alisiaquinone B (CHEBI:65383) has functional parent alisiaquinone A (CHEBI:65382)
alisiaquinone B (CHEBI:65383) has role antiplasmodial drug (CHEBI:64915)
alisiaquinone B (CHEBI:65383) has role metabolite (CHEBI:25212)
alisiaquinone B (CHEBI:65383) is a p-quinones (CHEBI:25830)
alisiaquinone B (CHEBI:65383) is a cyclic hemiketal (CHEBI:59780)
alisiaquinone B (CHEBI:65383) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(3aS,5aR,12bS,12cS)-5a-hydroxy-9-methoxy-3a,12b-dimethyl-2,3,3a,4,12b,12c-hexahydro-1H-tetrapheno[5,4-bc]furan-6,8,11(5aH)-trione
Citation Waiting for Citations Type Source
18512987 PubMed citation Europe PMC
Last Modified
03 June 2016