Summary

IMPPAT Phytochemical identifier: IMPHY014470

Phytochemical name: 3-Hydroxy-1-oxacyclopentacosan-2-one

Synonymous chemical names:
2-hydroxytetracosanolide

External chemical identifiers:
CID:71421037

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Chemical structure information

SMILES:
OC1CCCCCCCCCCCCCCCCCCCCCCOC1=O

InChI:
InChI=1S/C24H46O3/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27-24(23)26/h23,25H,1-22H2

InChIKey:
RLZXLDRKPOCJTQ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCOC%25=O

Functional groups:
CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCCCCCCCCCCCCCCCCO1

Scaffold Graph/Node level:
OC1CCCCCCCCCCCCCCCCCCCCCCCO1

Scaffold Graph level:
CC1CCCCCCCCCCCCCCCCCCCCCCCC1

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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: 0.515

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Chemical structure download