5-(2-Hydroxynonadecyl)-resorcinol
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
Structure for 5-(2-Hydroxynonadecyl)-resorcinol
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 Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
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