Summary

IMPPAT Phytochemical identifier: IMPHY004785

Phytochemical name: Eugenone

Synonymous chemical names:
2,4,6-trimethoxybenzoyl acetone(eugenone), eugenone

External chemical identifiers:
CID:5317271, ChEBI:169678, FDASRS:Q49DQ8CSTB, SureChEMBL:SCHEMBL22498722

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Chemical structure information

SMILES:
COc1cc(OC)cc(c1C(=O)CC(=O)C)OC

InChI:
InChI=1S/C13H16O5/c1-8(14)5-10(15)13-11(17-3)6-9(16-2)7-12(13)18-4/h6-7H,5H2,1-4H3

InChIKey:
ZYRBXTNFHYZHSK-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6C=O)CC=O)C)))))OC

Functional groups:
CC(C)=O, cC(C)=O, 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: 0.49

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Chemical structure download