nitensidine E (CHEBI:66628)

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ChEBI Name	nitensidine E

ChEBI ID	CHEBI:66628

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H19N3

Net Charge

Average Mass

193.28870

Monoisotopic Mass

193.15790

InChI

InChI=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+

InChIKey

HESWCJDXWDNXCR-GQCTYLIASA-N

SMILES

CC(C)=C\C=C\C1(C)CCN=C(N)N1

Metabolite of Species	Details
Pterogyne nitens (NCBI:txid162890)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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 Number	Type	Source
19671383	Reaxys Registry Number	Reaxys

Citation	Type	Source
19159272	PubMed citation	Europe PMC

Last Modified

06 June 2014