Summary

IMPPAT Phytochemical identifier: IMPHY017739

Phytochemical name: 4'-Methoxybutyrophenone

Synonymous chemical names:
4-methoxybutyrophenone

External chemical identifiers:
CID:77810, ZINC:ZINC000000163628, SureChEMBL:SCHEMBL705208, MolPort-001-766-038

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Chemical structure information

SMILES:
CCCC(=O)c1ccc(cc1)OC

InChI:
InChI=1S/C11H14O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,3-4H2,1-2H3

InChIKey:
JLCDSZXBELPBRD-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)cccccc6))OC

Functional groups:
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: Shikimates and Phenylpropanoids

NP-Likeness score: -0.27

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Chemical structure download