Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008377

Phytochemical name: Veratraldehyde

Synonymous chemical names:
3,4-dimethoxy benzaldehyde, veratraldehyde, 34-dimethoxybenzaldehyde, veratric aldehyde

External chemical identifiers:
CID:CID_8419, ChEMBL:CHEMBL1088937, ChEBI:CHEBI:17098, ZINC:ZINC000000155456, FDASRS:UI88P68JZD, SureChEMBL:SCHEMBL25202, MolPort-000-871-214

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Chemical structure information

SMILES:
COc1cc(C=O)ccc1OC

InChI:
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3

InChIKey:
WJUFSDZVCOTFON-UHFFFAOYSA-N

DeepSMILES:
COcccC=O))ccc6OC

Functional groups:
cOC, cC=O

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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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.147

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Chemical structure download