Summary

IMPPAT Phytochemical identifier: IMPHY012929

Phytochemical name: gamma-Sanshool

Synonymous chemical names:
sanshool,gamma-

External chemical identifiers:
CID:6440615, ChEBI:66167, SureChEMBL:SCHEMBL1028870

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Chemical structure information

SMILES:
C/C=C/C=C/C=CCC/C=C/C=C/C(=O)NCC(C)C

InChI:
InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+

InChIKey:
KVUKDCFEXVWYBN-JDXPBYPHSA-N

DeepSMILES:
C/C=C/C=C/C=CCC/C=C/C=C/C=O)NCCC)C

Functional groups:
C/C=C/C=C/C(=O)NC, C/C=CC=CC=CC

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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: 1.031

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Chemical structure download