Structure Database (LMSD)

Common Name
Homocapsaicin I
Systematic Name
9-Methyl-N-vanillyl-7E-decenamide
Synonyms
LM ID
LMFA08020456
Formula
C19H29NO3
Exact Mass
Calculate m/z
319.214744
Sum Composition
NA 19:5;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]
Methoxy fatty acids [FA0108]
Carbocyclic fatty acids [FA0114]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Capsicum annuum (#4072)
Magnoliopsida (#3398)
[Biosynthesis of Capsaicinoids in Capsicum annuum L. var. annuum:].,
Planta Med, 1981
Pubmed ID: 17402044

String Representations

InChiKey (Click to copy)
JKIHLSTUOQHAFF-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+
SMILES (Click to copy)
C1=CC(CNC(CCCCC/C=C/C(C)C)=O)=CC(OC)=C1O

Other Databases

CHEBI ID
165229
PubChem CID
6442566

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 10
Van der Waals Molecular Volume 338.17
Topological Polar Surface Area 58.56
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.18
Molar Refractivity 93.57

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Created at
2nd Jun 2025
Updated at
2nd Jun 2025