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CHEBI:65385 - alisiaquinol

ChEBI IDCHEBI:65385
ChEBI Namealisiaquinol
Stars
DefinitionAn organic heteropentacyclic compound comprising (2aS,5aR,8aR,8bS)-8a-hydroxy-2a,5a-dimethyldecahydro-8H-naphtho[1,8-bc]furan-8-one ortho-fused to C-6 and C-7 of naphthalene-1,4-diol. An antiplasmodial drug isolated from New Caledonian deep water sponge.
Last Modified21 February 2013
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILES[H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4c(O)ccc(O)c4cc1C(=O)[C@]2(O)OC3
InChIInChI=1S/C21H22O5/c1-19-6-3-7-20(2)14-9-12-11(15(22)4-5-16(12)23)8-13(14)17(24)21(25,18(19)20)26-10-19/h4-5,8-9,18,22-23,25H,3,6-7,10H2,1-2H3/t18-,19-,20-,21+/m1/s1
InChIKeyOBXVUUWPKYYYBL-NCYKPQTJSA-N
Species of MetaboliteComponentSourceComments
Deep water sponge- PubMed (18512987)
Roles Classification
Biological Roles:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
alisiaquinol (CHEBI:65385) has functional parent naphthalene-1,4-diol (CHEBI:34063)
alisiaquinol (CHEBI:65385) has role antiplasmodial drug (CHEBI:64915)
alisiaquinol (CHEBI:65385) has role metabolite (CHEBI:25212)
alisiaquinol (CHEBI:65385) is a cyclic hemiketal (CHEBI:59780)
alisiaquinol (CHEBI:65385) is a cyclic ketone (CHEBI:3992)
alisiaquinol (CHEBI:65385) is a organic heteropentacyclic compound (CHEBI:38164)
alisiaquinol (CHEBI:65385) is a polyphenol (CHEBI:26195)
IUPAC Name 
(3aS,5aR,12bS,12cS)-5a,8,11-trihydroxy-3a,12b-dimethyl-1,2,3,3a,4,5a,12b,12c-octahydro-6H-tetrapheno[5,4-bc]furan-6-one
Registry NumbersSources
Reaxys:19205151Reaxys
Citations