Summary

IMPPAT Phytochemical identifier: IMPHY017206

Phytochemical name: 1,5-Diphenyl-3-pentanone

Synonymous chemical names:
1,5-diphenyl-3-pentanone

External chemical identifiers:
CID:21496, ChEMBL:CHEMBL4173723, ZINC:ZINC000001673354, SureChEMBL:SCHEMBL497371, MolPort-001-790-621

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Chemical structure information

SMILES:
O=C(CCc1ccccc1)CCc1ccccc1

InChI:
InChI=1S/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey:
JENANTGGBLOTIB-UHFFFAOYSA-N

DeepSMILES:
O=CCCcccccc6))))))))CCcccccc6

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)CCc1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)CCC1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 0.204

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Chemical structure download