Summary

IMPPAT Phytochemical identifier: IMPHY014662

Phytochemical name: 1-Cyclohexyl-11-heneicosanone

Synonymous chemical names:
11-oxoheneicosanyl cyclohexane

External chemical identifiers:
CID:129882177, ZINC:ZINC000085930124

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Chemical structure information

SMILES:
CCCCCCCCCCC(=O)CCCCCCCCCCC1CCCCC1

InChI:
InChI=1S/C27H52O/c1-2-3-4-5-6-10-13-19-24-27(28)25-20-14-11-8-7-9-12-16-21-26-22-17-15-18-23-26/h26H,2-25H2,1H3

InChIKey:
YSNPNFJCFQOIAC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=O)CCCCCCCCCCCCCCCC6

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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-Likeness score: 0.424

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Chemical structure download