5-Nonadecenylresorcinol
precursor
Showing entry for 5-Nonadecenylresorcinol
Identification
- PhytoHub ID
- PHUB000555
- Name
- 5-Nonadecenylresorcinol
- Systematic Name
- Not Available
- Synonyms
- 5-nonadec-1-enylbenzene-1,3-diol
- CAS Number
- Not Available
- Average Mass
- 374.609
- Monoisotopic Mass
- 374.318480592
- Chemical Formula
- C25H42O2
- IUPAC Name
- 5-[(1E)-nonadec-1-en-1-yl]benzene-1,3-diol
- InChI Key
- DELSXHKTDYFIOG-VHEBQXMUSA-N
- InChI Identifier
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h18-22,26-27H,2-17H2,1H3/b19-18+
- SMILES
CCCCCCCCCCCCCCCCC\C=C\C1=CC(O)=CC(O)=C1
- Structure
Structure for 5-Nonadecenylresorcinol
Calculated Properties
- Solubility (ALOGPS)
- 9.78e-05 g/l
- LogS (ALOGPS)
- -6.58
- LogP (ALOGPS)
- 9.42
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 17
- Polar Surface Area
- 40.46
- Refractivity
- 118.9956
- Polarizability
- 50.15886493417254
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.677636669635305
- pKa (strongest acidic)
- 9.17055910585695
- Number of Rings
- 1
- 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
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Benzenediols
- Direct Parent Name
- Resorcinols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organooxygen compounds", "Styrenes"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Resorcinol", "Styrene"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Rye | Cereals and cereal products | 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-Nonadecenylresorcinol | 5-(2-Carboxynonadecyl)-resorcinol | human | urine | Not Available | Not Available | Not Available | Not Available | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|