Identification

PhytoHub ID
PHUB002901
Name
5-n-Hexacosylresorcinol
Systematic Name
Not Available
Synonyms
  • 1,3-dihydroxy-5-hexacosylbenzene
  • Alkylresorcinol C26:0
CAS Number
Not Available
Average Mass
474.814
Monoisotopic Mass
474.443681108
Chemical Formula
C32H58O2
IUPAC Name
5-hexacosylbenzene-1,3-diol
InChI Key
XYAGNCWDDFILNT-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C32H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-27-31(33)29-32(34)28-30/h27-29,33-34H,2-26H2,1H3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
25
Polar Surface Area
40.46
Refractivity
150.086
Polarizability
65.88145166600371
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.6650579160485925
pKa (strongest acidic)
9.359032641624808
Number of Rings
1
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Alkylresorcinols
Sub-class
Not Available

Spectra from Phytohub

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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