metabolite

Showing entry for 5-(2-Hydroxynonadecyl)-resorcinol

Identification

PhytoHub ID
PHUB002894
Name
5-(2-Hydroxynonadecyl)-resorcinol
Systematic Name
3-nonadec-1-enylbenzene-1,2,4-triol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
390.6
Monoisotopic Mass
390.31339520
Chemical Formula
C25H42O3
IUPAC Name
Not Available
InChI Key
LIOBPIUQFBELKL-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(26)20-21-24(27)25(22)28/h18-21,26-28H,2-17H2,1H3/b19-18+
SMILES
CCCCCCCCCCCCCCCCCC=CC1=C(C=CC(=C1O)O)O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
17
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
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 Metabolite

Family
Miscellaneous phytochemical metabolites
Class
Alkylresorcinol metabolites
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

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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