Summary

IMPPAT Phytochemical identifier: IMPHY013174

Phytochemical name: Hydroxy-gamma-Sanshool

Synonymous chemical names:
hydroxy-gamma-sanshool

External chemical identifiers:
CID:14135317, ChEMBL:CHEMBL3086846, ChEBI:81359, ZINC:ZINC000056874811, SureChEMBL:SCHEMBL1030994, MolPort-046-836-900

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Chemical structure information

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

InChI:
InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+

InChIKey:
CRPPMKFSMRODIQ-JDXPBYPHSA-N

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

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

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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: 1.234

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Chemical structure download