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

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

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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