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Details

Stereochemistry ACHIRAL
Molecular Formula C16H25NO
Molecular Weight 247.3758
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of Neoherculin

SMILES

C\C=C\C=C\C=C/CC\C=C\C(=O)NCC(C)C

InChI

InChIKey=SBXYHCVXUCYYJT-UEOYEZOQSA-N
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+

HIDE SMILES / InChI

Approval Year

Name Type Language
2,6,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (2E,6Z,8E,10E)-
Preferred Name English
Neoherculin
Common Name English
?-Sanshooel
Common Name English
Echinaceine
Common Name English
Sanshool
Common Name English
2E,6Z,8E,10E-Dodecatetraenoic acid N-(2-methylpropyl)amide
Common Name English
N-(2-Methylpropyl)-2E,6Z,8E,10E-dodecatetraenamide
Common Name English
Neoherculine
Common Name English
N-Isobutyl-trans-2,cis-6,trans-8,trans-10-dodecatetraenamide
Common Name English
Echinacein
Common Name English
?-Sanshool
Common Name English
2,6,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (E,E,Z,E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6440935
Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID601319143
Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025
PRIMARY
CAS
504-97-2
Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025
PRIMARY
FDA UNII
YB7LBG97PX
Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025
PRIMARY