Summary

IMPPAT Phytochemical identifier: IMPHY005496

Phytochemical name: (Z)-Oxacyclopentadec-6-en-2-one

Synonymous chemical names:
(z)-5-tetradecen-14-olide

External chemical identifiers:
CID:21187406, ZINC:ZINC000014510449, SureChEMBL:SCHEMBL6119350

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Chemical structure information

SMILES:
O=C1CCC/C=C/CCCCCCCCO1

InChI:
InChI=1S/C14H24O2/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-14/h4,6H,1-3,5,7-13H2/b6-4+

InChIKey:
USYAGNRXEGBFEX-GQCTYLIASA-N

DeepSMILES:
O=CCCC/C=C/CCCCCCCCO%15

Functional groups:
C/C=C/C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC=CCCCCCCCCO1

Scaffold Graph/Node level:
OC1CCCCCCCCCCCCCO1

Scaffold Graph level:
CC1CCCCCCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolides and analogues

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.826

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Chemical structure download