Summary

IMPPAT Phytochemical identifier: IMPHY015595

Phytochemical name: Cyclopentadecanone

Synonymous chemical names:
cyclopentadecanone

External chemical identifiers:
CID:10409, ChEMBL:CHEMBL3188770, ZINC:ZINC000003860311, FDASRS:T09G246LET, SureChEMBL:SCHEMBL111707, MolPort-003-929-470

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Chemical structure information

SMILES:
O=C1CCCCCCCCCCCCCC1

InChI:
InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2

InChIKey:
OSOIQJGOYGSIMF-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCCCCCCCCC%15

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCCCCCCC1

Scaffold Graph/Node level:
OC1CCCCCCCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCCCCCCC1

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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: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.245

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Chemical structure download