Summary

IMPPAT Phytochemical identifier: IMPHY008850

Phytochemical name: 2-Hydroxy-4,6-dimethoxy-5-methylacetophenone

Synonymous chemical names:
2-hydroxy-4,6-dimethoxy-5-methylacetophenone

Chemical structure information

SMILES:
COc1c(C)c(OC)cc(c1C(=O)C)O

InChI:
InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3

InChIKey:
DUTVTRPNMVUOIS-UHFFFAOYSA-N

DeepSMILES:
COccC)cOC))ccc6C=O)C)))O

Functional groups:
cC(C)=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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 1.032

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Chemical structure download