5-n-Hexacosylresorcinol
precursor
Showing entry for 5-n-Hexacosylresorcinol
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
Structure for 5-n-Hexacosylresorcinol
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
External Links
No external links
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
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available