Summary

IMPPAT Phytochemical identifier: IMPHY014452

Phytochemical name: p-Coumaroyl-d-valine

Synonymous chemical names:
p-coumaroyl-d-valine

External chemical identifiers:
CID:65545544

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Chemical structure information

SMILES:
O=C(N[C@@H](C(=O)O)C(C)C)/C=C/c1ccc(cc1)O

InChI:
InChI=1S/C14H17NO4/c1-9(2)13(14(18)19)15-12(17)8-5-10-3-6-11(16)7-4-10/h3-9,13,16H,1-2H3,(H,15,17)(H,18,19)/b8-5+/t13-/m1/s1

InChIKey:
ZDCZKMDJFIPYLQ-OQHXTRMZSA-N

DeepSMILES:
O=CN[C@@H]C=O)O))CC)C))))/C=C/cccccc6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

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

NP Classifier Superclass: Phenylpropanoids (C6-C3), Small peptides

NP-Likeness score: 0.305

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Chemical structure download