CHEBI:65497 - bielschowskysin

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ChEBI Name bielschowskysin
ChEBI ID CHEBI:65497
Definition A diterpenoid that is isolated from Pseudopterogorgia kallos and exhibits antimalarial and anticancer activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H26O9
Net Charge 0
Average Mass 434.43640
Monoisotopic Mass 434.15768
InChI InChI=1S/C22H26O9/c1-8-6-20-15-14-12(7-19(15,4)26)29-18(25)21(14,20)13(28-10(3)23)5-11-9(2)17(24)30-16(11)22(8,27)31-20/h6,11-17,24,26-27H,2,5,7H2,1,3-4H3/t11-,12-,13+,14-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKey BILSMHBWRCOPGJ-RASNQSQESA-N
SMILES [H][C@]12C[C@](C)(O)[C@]3([H])[C@@]1([H])[C@]1([C@@H](C[C@@]4([H])C(=C)[C@@H](O)O[C@]4([H])[C@@]4(O)O[C@@]31C=C4C)OC(C)=O)C(=O)O2
Metabolite of Species Details
Pseudopterogorgia kallos (ITIS:52263) See: PubMed
Roles Classification
Biological Role(s): antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bielschowskysin (CHEBI:65497) has role antimalarial (CHEBI:38068)
bielschowskysin (CHEBI:65497) has role antineoplastic agent (CHEBI:35610)
bielschowskysin (CHEBI:65497) has role metabolite (CHEBI:25212)
bielschowskysin (CHEBI:65497) is a γ-lactone (CHEBI:37581)
bielschowskysin (CHEBI:65497) is a acetate ester (CHEBI:47622)
bielschowskysin (CHEBI:65497) is a cyclic acetal (CHEBI:59770)
bielschowskysin (CHEBI:65497) is a diterpenoid (CHEBI:23849)
bielschowskysin (CHEBI:65497) is a organic heterohexacyclic compound (CHEBI:51914)
IUPAC Name
(2aS,4S,4aS,4bS,7S,7aS,9S,10aS,12R,12aR,12bS)-4,7,9-trihydroxy-4,6-dimethyl-10-methylene-1-oxo-3,4,4a,7a,9,10,10a,11,12,12b-decahydro-2aH,7H-4b,7-epoxy-2,8-dioxacyclopenta[5',6']cyclonona[2',1':1,4]cyclobuta[1,2,3-cd]pentalen-12-yl acetate
Registry Number Type Source
9830164 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16494470 PubMed citation Europe PMC
21523870 PubMed citation Europe PMC
22506798 PubMed citation Europe PMC
Last Modified
22 February 2013