PhytoHub: Showing entry for 5-n-docosylresorcinol

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

External Links

PubChem: 71371532

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Alkylresorcinols
Sub-class: Not Available

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

	Name	Group
	Quinoa	Pulses and beans	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	5-n-docosylresorcinol		5-n-docosylresorcinol	human	plasma	unchanged	Not Available	Not Available	Not Available	C₂₈H₅₀O₂	418.381080833		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for 5-n-docosylresorcinol