Summary

IMPPAT Phytochemical identifier: IMPHY017585

Phytochemical name: 2-Methoxycinnamaldehyde

Synonymous chemical names:
2-methoxy cinnamaidehyde, methoxy (e) cinnamaldehyde (ortho), o-methoxy-cinnamaldehyde, o-methoxycinnamaldehyde

External chemical identifiers:
CID:641298, ChEMBL:CHEMBL83159, ZINC:ZINC000001704608, FDASRS:3GG2B2MUHB, SureChEMBL:SCHEMBL43264, MolPort-000-871-217

---

Chemical structure information

SMILES:
O=C/C=C/c1ccccc1OC

InChI:
InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+

InChIKey:
KKVZAVRSVHUSPL-GQCTYLIASA-N

DeepSMILES:
O=C/C=C/cccccc6OC

Functional groups:
c/C=C/C=O, cOC

---

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: 0.403

---

Chemical structure download