Summary

IMPPAT Phytochemical identifier: IMPHY003920

Phytochemical name: Coumarinic acid

Synonymous chemical names:
(e)-3-(2-hydroxyphenyl)-2-propenoic acid, 2-coumarinate, coumarinic acid

External chemical identifiers:
CID:5280841, ChEBI:28873, ZINC:ZINC000004632126, FDASRS:388YT9184W, SureChEMBL:SCHEMBL892006

---

Chemical structure information

SMILES:
OC(=O)/C=Cc1ccccc1O

InChI:
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5-

InChIKey:
PMOWTIHVNWZYFI-WAYWQWQTSA-N

DeepSMILES:
OC=O)/C=Ccccccc6O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: 0.579

---

Chemical structure download