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CHEBI:66628 - nitensidine E

ChEBI IDCHEBI:66628
ChEBI Namenitensidine E
Stars
DefinitionAn alkaloid that is 1,4,5,6-tetrahydropyrimidine substituted by an amino group at position 2 and by a methyl group and a 4-methylpenta-1,3-dien-1-yl group at position 6. Isolated from the leaves of Pterogyne nitens, it exhibits cytotoxicity against a panel of human cancer cell lines.
Last Modified6 June 2014
DownloadsMolfile
FormulaC11H19N3
Net Charge0
Average Mass193.294
Monoisotopic Mass193.15790
SMILESCC(C)=C/C=C/C1(C)CCN=C(N)N1
InChIInChI=1S/C11H19N3/c1-9(2)5-4-6-11(3)7-8-13-10(12)14-11/h4-6H,7-8H2,1-3H3,(H3,12,13,14)/b6-4+
InChIKeyHESWCJDXWDNXCR-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Pterogyne nitens (ncbitaxon:162890) leaf (BTO:0000713) PubMed (19159272)
Roles Classification
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)
nitensidine E (CHEBI:66628) has role antineoplastic agent (CHEBI:35610)
nitensidine E (CHEBI:66628) has role metabolite (CHEBI:25212)
nitensidine E (CHEBI:66628) is a 1,4,5,6-tetrahydropyrimidines (CHEBI:78715)
nitensidine E (CHEBI:66628) is a alkaloid (CHEBI:22315)
nitensidine E (CHEBI:66628) is a guanidines (CHEBI:24436)
IUPAC Name 
6-methyl-6-[(1E)-4-methylpenta-1,3-dien-1-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
Registry NumbersSources
Reaxys:19671383Reaxys
Citations