Summary

IMPPAT Phytochemical identifier: IMPHY014453

Phytochemical name: trans-2-Hydroxy-methoxycinnamic acid

Synonymous chemical names:
trans-2-hydroxy-methoxycinnamic acid

External chemical identifiers:
CID:66715317, SureChEMBL:SCHEMBL528919

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Chemical structure information

SMILES:
OCOc1ccccc1/C=C/C(=O)O

InChI:
InChI=1S/C10H10O4/c11-7-14-9-4-2-1-3-8(9)5-6-10(12)13/h1-6,11H,7H2,(H,12,13)/b6-5+

InChIKey:
PJOZFPXZVCODBX-AATRIKPKSA-N

DeepSMILES:
OCOcccccc6/C=C/C=O)O

Functional groups:
c/C=C/C(=O)O, cOCO

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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: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Hydroxycinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.777

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Chemical structure download