Summary

IMPPAT Phytochemical identifier: IMPHY009569

Phytochemical name: 3,5-Dihydroxy-4-methoxybenzaldehyde

Synonymous chemical names:
3,5-dihydroxy-4-methoxybenzaldehyde

External chemical identifiers:
CID:12928004, ChEMBL:CHEMBL89737, ZINC:ZINC000014775570, SureChEMBL:SCHEMBL5155052, MolPort-001-833-809

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Chemical structure information

SMILES:
COc1c(O)cc(cc1O)C=O

InChI:
InChI=1S/C8H8O4/c1-12-8-6(10)2-5(4-9)3-7(8)11/h2-4,10-11H,1H3

InChIKey:
UAFQVVYJCLAIGY-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6O)))C=O

Functional groups:
cC=O, cO, cOC

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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: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1), Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives, Simple phenolic acids

NP-Likeness score: 1.215

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Chemical structure download