Homocapsaicin
precursor
Showing entry for Homocapsaicin
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
Name | Group | |||
---|---|---|---|---|
Hot chili (Capsicum annuum, C. frutescens) | Vegetables, Fruit vegetables | Publications | Show |
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