Summary

IMPPAT Phytochemical identifier: IMPHY014487

Phytochemical name: p-Coumaroyl-d-serine

Synonymous chemical names:
p-coumaroyl-d-serine

External chemical identifiers:
CID:80749860

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Chemical structure information

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

InChI:
InChI=1S/C12H13NO5/c14-7-10(12(17)18)13-11(16)6-3-8-1-4-9(15)5-2-8/h1-6,10,14-15H,7H2,(H,13,16)(H,17,18)/b6-3+/t10-/m1/s1

InChIKey:
RIQRNDMKMCKBBF-QLCVYAKKSA-N

DeepSMILES:
OC[C@H]C=O)O))NC=O)/C=C/cccccc6))O

Functional groups:
CC(=O)O, CO, 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)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.55

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Chemical structure download