Summary

IMPPAT Phytochemical identifier: IMPHY000045

Phytochemical name: (2E)-N-methyl-3-phenyl-N-[(E)-2-phenylethenyl]prop-2-enamide

Synonymous chemical names:
lansamide i, lansiumamide b, lansiumamide b(n-methyl n-cis-styryl cinnamamide)

External chemical identifiers:
CID:11242495, ZINC:ZINC000034417894

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Chemical structure information

SMILES:
CN(C(=O)/C=C/c1ccccc1)/C=C/c1ccccc1

InChI:
InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14+

InChIKey:
VJGRWRRIAJQNFU-SQIWNDBBSA-N

DeepSMILES:
CNC=O)/C=C/cccccc6)))))))))/C=C/cccccc6

Functional groups:
c/C=C/C(=O)N(C)/C=C/c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)NC=Cc1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)NCCC1CCCCC1

Scaffold Graph level:
CC(CCCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.277

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Chemical structure download