Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005764

Phytochemical name: Cyclodecanone

Synonymous chemical names:
c10h180, cyclodecanone, c10h18o

External chemical identifiers:
CID:CID_73918, ZINC:ZINC000001575724, FDASRS:3N73MQZ9ZJ, SureChEMBL:SCHEMBL1667004, MolPort-001-762-108

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Chemical structure information

SMILES:
O=C1CCCCCCCCC1

InChI:
InChI=1S/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2

InChIKey:
SXOZDDAFVJANJP-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCCCC%10

Functional groups:
CC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCC1

Scaffold Graph/Node level:
OC1CCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCC1

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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: 0.357

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Chemical structure download