Summary

IMPPAT Phytochemical identifier: IMPHY007416

Phytochemical name: 2,4,6-Trimethoxyphenol

Synonymous chemical names:
2,4,6-trimethoxyphenol, phenol, 2,4,6-trimethoxy

External chemical identifiers:
CID:88563, ChEMBL:CHEMBL225314, ZINC:ZINC000002566113, FDASRS:4MJL0GD54W, SureChEMBL:SCHEMBL1047550, MolPort-006-123-289

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Chemical structure information

SMILES:
COc1cc(OC)c(c(c1)OC)O

InChI:
InChI=1S/C9H12O4/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5,10H,1-3H3

InChIKey:
HSJYYLNJWGKZMD-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6)OC)))O

Functional groups:
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: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 0.486

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Chemical structure download