Summary

IMPPAT Phytochemical identifier: IMPHY006656

Phytochemical name: 2-Hydroxy-3-phenylprop-2-enal

Synonymous chemical names:
hydroxycinnamaldehyde

External chemical identifiers:
CID:71407359

---

Chemical structure information

SMILES:
O=CC(=Cc1ccccc1)O

InChI:
InChI=1S/C9H8O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-7,11H

InChIKey:
QSZQTGNYQLNKAQ-UHFFFAOYSA-N

DeepSMILES:
O=CC=Ccccccc6)))))))O

Functional groups:
cC=C(O)C=O

---

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: Cinnamaldehydes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.373

---

Chemical structure download