Identification

PhytoHub ID
PHUB001446
Name
Homocapsaicin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
319.445
Monoisotopic Mass
319.214743798
Chemical Formula
C19H29NO3
IUPAC Name
(7E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
InChI Key
JKIHLSTUOQHAFF-VQHVLOKHSA-N
InChI Identifier
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
COC1=CC(CNC(=O)CCCCC\C=C\C(C)C)=CC=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
4.47e-03 g/l
LogS (ALOGPS)
-4.85
LogP (ALOGPS)
4.43
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
58.56
Refractivity
94.91839999999999
Polarizability
38.0072134623626
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.4198544169404401
pKa (strongest acidic)
9.928691031979335
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Phenols
Super-class
Benzenoids
Sub-class
Methoxyphenols
Direct Parent Name
Methoxyphenols
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Carbonyl compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "N-acyl amines", "Organic oxides", "Organonitrogen compounds", "Organopnictogen compounds", "Phenoxy compounds", "Secondary carboxylic acid amides"]
External Descriptor Annotations
Not Available
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Carbonyl group", "Carboxamide group", "Carboxylic acid derivative", "Ether", "Fatty acyl", "Fatty amide", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "N-acyl-amine", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenol ether", "Phenoxy compound", "Secondary carboxylic acid amide"]

Spectra from Online Resources

No spectra information available

Food Sources

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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