Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002809

Phytochemical name: Oxacyclohexadecan-2-one

Synonymous chemical names:
exaltolide, cyclopentadecanolide, pentadecanolide, 15-pentadecanolide

External chemical identifiers:
CID:CID_235414, ChEMBL:CHEMBL3560504, ZINC:ZINC000004023520, FDASRS:OK17S3S98K, SureChEMBL:SCHEMBL114310, MolPort-002-508-812

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Chemical structure information

SMILES:
O=C1CCCCCCCCCCCCCCO1

InChI:
InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2

InChIKey:
FKUPPRZPSYCDRS-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCCCCCCCCCO%16

Functional groups:
COC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCCCCCCCO1

Scaffold Graph/Node level:
OC1CCCCCCCCCCCCCCO1

Scaffold Graph level:
CC1CCCCCCCCCCCCCCC1

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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: 0.477

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Chemical structure download