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CHEBI:66330 - wrightiamine A

ChEBI IDCHEBI:66330
ChEBI Namewrightiamine A
Stars
DefinitionA steroid alkaloid isolated from Wrightia javanica and has been shown to exhibit antineoplastic activity.
Last Modified15 July 2013
DownloadsMolfile
FormulaC21H34N2
Net Charge0
Average Mass314.517
Monoisotopic Mass314.27220
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]45C=N[C@@H](C)[C@@]4([H])CC[C@@]35[H])[C@@]1(C)CC[C@H](N)C2
InChIInChI=1S/C21H34N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h12-19H,3-11,22H2,1-2H3/t13-,14-,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKeyOWJXANQNZAVDIW-XLVUHOLYSA-N
Species of MetaboliteComponentSourceComments
Wrightia javanica (ncbitaxon:82855-1) leaf (BTO:0000713) PubMed (12808258)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
wrightiamine A (CHEBI:66330) has role antineoplastic agent (CHEBI:35610)
wrightiamine A (CHEBI:66330) has role metabolite (CHEBI:25212)
wrightiamine A (CHEBI:66330) is a organic heteropentacyclic compound (CHEBI:38164)
wrightiamine A (CHEBI:66330) is a organonitrogen heterocyclic compound (CHEBI:38101)
wrightiamine A (CHEBI:66330) is a primary amino compound (CHEBI:50994)
wrightiamine A (CHEBI:66330) is a steroid alkaloid (CHEBI:26767)
IUPAC Name 
(3S,3aS,5aS,5bR,7aS,9S,11aS,11bS,13aR)-3,11a-dimethyl-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-hexadecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine
Registry NumbersSources
Reaxys:9438722Reaxys
Citations