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/c1ccccc1OCInChI:
InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+InChIKey:
KKVZAVRSVHUSPL-GQCTYLIASA-NDeepSMILES:
O=C/C=C/cccccc6OCFunctional groups:
c/C=C/C=O, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire 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