precursor

Showing entry for 5-n-docosylresorcinol

Identification

PhytoHub ID
PHUB002898
Name
5-n-docosylresorcinol
Systematic Name
5-Docosylbenzene-1,3-diol
Synonyms
  • 1,3-dihydroxy-5-docosylbenzene
  • Alkylresorcinol C22:0
CAS Number
64645-62-1
Average Mass
418.7
Monoisotopic Mass
418.381080833
Chemical Formula
C28H50O2
IUPAC Name
Not Available
InChI Key
RIFUPWAWKWOOHF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C28H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-27(29)25-28(30)24-26/h23-25,29-30H,2-22H2,1H3
SMILES
CCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
21
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
0
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
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 Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

NameGroup
QuinoaPulses and beans PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
5-n-docosylresorcinol 5-n-docosylresorcinolhumanplasmaunchangedNot AvailableNot AvailableNot AvailableC28H50O2418.381080833 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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