Summary

IMPPAT Phytochemical identifier: IMPHY017905

Phytochemical name: Oxacycloundecan-2-one

Synonymous chemical names:
decanolide

External chemical identifiers:
CID:9855585, ZINC:ZINC000013509502, SureChEMBL:SCHEMBL2480285

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Chemical structure information

SMILES:
O=C1CCCCCCCCCO1

InChI:
InChI=1S/C10H18O2/c11-10-8-6-4-2-1-3-5-7-9-12-10/h1-9H2

InChIKey:
GHZRKQCHJFHJPX-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCCCCO%11

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCCO1

Scaffold Graph/Node level:
OC1CCCCCCCCCO1

Scaffold Graph level:
CC1CCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.675

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Chemical structure download