Summary

IMPPAT Phytochemical identifier: IMPHY006582

Phytochemical name: 3,4,5-Trimethoxyphenol

Synonymous chemical names:
3,4,5-trimethoxyphenol, phenol, 3,4,5-trimethoxy

External chemical identifiers:
CID:69505, ChEMBL:CHEMBL1319047, ChEBI:2760, ZINC:ZINC000000405113, SureChEMBL:SCHEMBL210578, MolPort-002-462-093

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Chemical structure information

SMILES:
COc1c(OC)cc(cc1OC)O

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

InChIKey:
VTCDZPUMZAZMSB-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6OC))))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-Likeness score: 0.795

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Chemical structure download