EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65384 - alisiaquninone C

ChEBI IDCHEBI:65384
ChEBI Namealisiaquninone C
Stars
DefinitionAn organic heterohexacyclic compound that is isolated from New Caledonian deep water sponge and exhibits antiplasmodial properties.
Last Modified3 June 2016
DownloadsMolfile
FormulaC23H23NO7S
Net Charge0
Average Mass457.504
Monoisotopic Mass457.11952
SMILES[H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4c(cc1C(=O)[C@]2(O)OC3)C(=O)C1=C(NCCS1(=O)=O)C4=O
InChIInChI=1S/C23H23NO7S/c1-21-4-3-5-22(2)14-9-12-11(8-13(14)19(27)23(28,20(21)22)31-10-21)17(26)18-15(16(12)25)24-6-7-32(18,29)30/h8-9,20,24,28H,3-7,10H2,1-2H3/t20-,21-,22-,23+/m1/s1
InChIKeySFWTYJIXVMNTBL-ODAXIHTASA-N
Species of MetaboliteComponentSourceComments
Deep water sponge- PubMed (18512987)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
alisiaquninone C (CHEBI:65384) has functional parent alisiaquinone A (CHEBI:65382)
alisiaquninone C (CHEBI:65384) has role antiplasmodial drug (CHEBI:64915)
alisiaquninone C (CHEBI:65384) has role metabolite (CHEBI:25212)
alisiaquninone C (CHEBI:65384) is a p-quinones (CHEBI:25830)
alisiaquninone C (CHEBI:65384) is a cyclic hemiketal (CHEBI:59780)
alisiaquninone C (CHEBI:65384) is a organic heterohexacyclic compound (CHEBI:51914)
alisiaquninone C (CHEBI:65384) is a secondary amine (CHEBI:32863)
alisiaquninone C (CHEBI:65384) is a sulfone (CHEBI:35850)
IUPAC Name 
(3aS,5aR,14bS,14cS)-5a-hydroxy-3a,14b-dimethyl-1,2,3,3a,4,5a,11,12,14b,14c-decahydrofuro[4',3',2':4,5]tetrapheno[9,10-b][1,4]thiazine-6,8,13(10H)-trione 9,9-dioxide
Registry NumbersSources
Reaxys:19205155Reaxys
Citations