Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002776

Phytochemical name: Propiophenone

Synonymous chemical names:
propiophenone (2-methoxy-3,4-methylene dioxyphenyl-propan-1-one), propiophenone

External chemical identifiers:
CID:CID_7148, ChEMBL:CHEMBL193446, ChEBI:CHEBI:425902, ZINC:ZINC000001747833, FDASRS:E599A8OKQH, SureChEMBL:SCHEMBL76464, MolPort-000-871-248

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Chemical structure information

SMILES:
CCC(=O)c1ccccc1

InChI:
InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey:
KRIOVPPHQSLHCZ-UHFFFAOYSA-N

DeepSMILES:
CCC=O)cccccc6

Functional groups:
cC(C)=O

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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: Shikimates and Phenylpropanoids

NP-Likeness score: -0.463

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Chemical structure download