Summary

IMPPAT Phytochemical identifier: IMPHY013674

Phytochemical name: N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide

Synonymous chemical names:
n-2-hydroxy-2-(4-hydroxyphenyl)ethyl cinnamide

External chemical identifiers:
CID:131750976

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Chemical structure information

SMILES:
O=C(/C=Cc1ccccc1)NCC(c1ccc(cc1)O)O

InChI:
InChI=1S/C17H17NO3/c19-15-9-7-14(8-10-15)16(20)12-18-17(21)11-6-13-4-2-1-3-5-13/h1-11,16,19-20H,12H2,(H,18,21)/b11-6-

InChIKey:
CWMOJJSULWWJSO-WDZFZDKYSA-N

DeepSMILES:
O=C/C=Ccccccc6))))))))NCCcccccc6))O)))))O

Functional groups:
CO, c/C=CC(=O)NC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)NCCc1ccccc1

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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acid amides

NP-Likeness score: 0.112

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Chemical structure download