Structure Database (LMSD)

Common Name
Nordihydrocapsaicin
Systematic Name
7-Methyl-N-vanillyl-octamide
Synonyms
LM ID
LMFA08020319
Formula
C17H27NO3
Exact Mass
Calculate m/z
293.199094
Sum Composition
NA 17:4;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Capsicum annuum (#4072)
Magnoliopsida (#3398)
Constitution and biosynthesis of capsaicin,
J. Chem. Soc. C,, 1968

String Representations

InChiKey (Click to copy)
VQEONGKQWIFHMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)
SMILES (Click to copy)
C1=CC(CNC(=O)CCCCCC(C)C)=CC(OC)=C1O

Other Databases

CHEBI ID
174101
PubChem CID
168836

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 306.21
Topological Polar Surface Area 58.56
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.62
Molar Refractivity 84.43

Admin

Created at
15th Apr 2021
Updated at
15th Apr 2021