Summary

IMPPAT Phytochemical identifier: IMPHY011161

Phytochemical name: Solacaproine

Synonymous chemical names:
solacaproine

External chemical identifiers:
CID:423377

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Chemical structure information

SMILES:
CCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C

InChI:
InChI=1S/C18H39N3O/c1-6-7-8-13-18(22)21(16-11-9-14-19(2)3)17-12-10-15-20(4)5/h6-17H2,1-5H3

InChIKey:
KKYYJGJYEAKUMS-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)NCCCCNC)C))))))CCCCNC)C

Functional groups:
CC(=O)N(C)C, CN(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty amides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty amides

NP Classifier Class: N-acyl amines

NP-Likeness score: -0.536

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Chemical structure download