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Details

Stereochemistry ACHIRAL
Molecular Formula C18H25NO3
Molecular Weight 303.396
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (6E)-N-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-8-METHYL-6,8-NONADIENAMIDE

SMILES

COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)=C)=C1

InChI

InChIKey=LSIRKKJMETWUBA-SOFGYWHQSA-N
InChI=1S/C18H25NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,20H,1,4-5,7,9,13H2,2-3H3,(H,19,21)/b8-6+

HIDE SMILES / InChI

Molecular Formula C18H25NO3
Molecular Weight 303.396
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:41 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:41 GMT 2023
Record UNII
6YV3X8VC5J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6E)-N-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-8-METHYL-6,8-NONADIENAMIDE
Systematic Name English
6,8-NONADIENAMIDE, N-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-8-METHYL-, (6E)-
Systematic Name English
16,17-DEHYDRO-CAPSAICIN
Common Name English
Code System Code Type Description
FDA UNII
6YV3X8VC5J
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
PUBCHEM
71315300
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
CAS
509101-57-9
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID80747441
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
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PARENT -> METABOLITE
In human microsomal fraction, 16,17-dehydro-capsaicin was the minor metabolite, but in human S-9 fraction, 16,17-dehydro-capsaicin was the major metabolite.
PLASMA