CHEBI:65545 - norcaesalpinin E

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ChEBI Name norcaesalpinin E
ChEBI ID CHEBI:65545
Definition A diterpenoid isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28O6
Net Charge 0
Average Mass 376.44340
Monoisotopic Mass 376.18859
InChI InChI=1S/C21H28O6/c1-11(22)27-16-5-7-19(2,3)21(25)10-14(23)17-13(20(16,21)4)9-15-12(18(17)24)6-8-26-15/h6,8,13-14,16-17,23,25H,5,7,9-10H2,1-4H3/t13-,14-,16-,17-,20-,21+/m0/s1
InChIKey IBALQPBIWZLHPR-SJEMMDPOSA-N
SMILES [H][C@]12Cc3occc3C(=O)[C@]1([H])[C@@H](O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C
Metabolite of Species Details
Caesalpinia crista (NCBI:txid857495) Found in seed kernel (BTO:0000668). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing norcaesalpinin E (CHEBI:65545) has role antimalarial (CHEBI:38068)
norcaesalpinin E (CHEBI:65545) has role metabolite (CHEBI:25212)
norcaesalpinin E (CHEBI:65545) is a acetate ester (CHEBI:47622)
norcaesalpinin E (CHEBI:65545) is a aromatic ketone (CHEBI:76224)
norcaesalpinin E (CHEBI:65545) is a cyclic ether (CHEBI:37407)
norcaesalpinin E (CHEBI:65545) is a diterpenoid (CHEBI:23849)
norcaesalpinin E (CHEBI:65545) is a enone (CHEBI:51689)
norcaesalpinin E (CHEBI:65545) is a secondary alcohol (CHEBI:35681)
norcaesalpinin E (CHEBI:65545) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(1S,4aR,6S,6aS,11aS,11bS)-4a,6-dihydroxy-4,4,11b-trimethyl-7-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1-yl acetate
Registry Number Type Source
10723935 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15921414 PubMed citation Europe PMC
Last Modified
07 November 2013