Dihydrocapsaicin
precursor
Showing entry for Dihydrocapsaicin
Identification
- PhytoHub ID
- PHUB001445
- Name
- Dihydrocapsaicin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 307.434
- Monoisotopic Mass
- 307.214743798
- Chemical Formula
- C18H29NO3
- IUPAC Name
- N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
- InChI Key
- XJQPQKLURWNAAH-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
- SMILES
COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.44e-02 g/l
- LogS (ALOGPS)
- -4.33
- LogP (ALOGPS)
- 4.56
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 10
- Polar Surface Area
- 58.56
- Refractivity
- 89.2008
- Polarizability
- 36.54705180199188
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.419850315871417
- pKa (strongest acidic)
- 9.928691783033129
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 46932
- PubChem
- 107982
- Chemistry Dashboard
- DTXSID4041864
- MetaboLights
- MTBLC46932
- Phenol-Explorer
- 716
- FooDB (Compounds)
- FDB017816
- PeakForestCompound
- 000884
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", "Carboximidic acids", "Hydrocarbon derivatives", "Methoxybenzenes", "Organonitrogen compounds", "Organopnictogen compounds", "Phenoxy compounds", "Propargyl-type 1,3-dipolar organic compounds"]
- External Descriptor Annotations
- ["Capsaicinoids and derivatives", "N-acyl amines", "an alkaloid", "capsaicinoid"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Carboximidic acid", "Carboximidic acid derivative", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic 1,3-dipolar compound", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenol ether", "Phenoxy compound", "Propargyl-type 1,3-dipolar organic compound"]
Spectra from Online Resources
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Bell pepper (Capsicum annuum, mild varieties) | Vegetables, Fruit vegetables | Publications | Show | |
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