Summary

IMPPAT Phytochemical identifier: IMPHY011015

Phytochemical name: 2,6-Dimethoxyphenol

Synonymous chemical names:
2, 6-dimethoxyphenol, 2,6-dimethoxyphenol, syringol

External chemical identifiers:
CID:7041, ChEMBL:CHEMBL109652, ChEBI:955, ZINC:ZINC000000154666, FDASRS:4UQT464H8K, SureChEMBL:SCHEMBL156388, MolPort-001-769-143

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Chemical structure information

SMILES:
COc1cccc(c1O)OC

InChI:
InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3

InChIKey:
KLIDCXVFHGNTTM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))OC

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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.331

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Chemical structure download