5-Tricosenylresorcinol
precursor
Showing entry for 5-Tricosenylresorcinol
Identification
- PhytoHub ID
- PHUB000563
- Name
- 5-Tricosenylresorcinol
- Systematic Name
- 5-[(1E)-tricos-1-en-1-yl]benzene-1,3-diol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 430.717
- Monoisotopic Mass
- 430.38108085
- Chemical Formula
- C29H50O2
- IUPAC Name
- 5-[(1E)-tricos-1-en-1-yl]benzene-1,3-diol
- InChI Key
- MCDSNVQSEUOTPK-GHVJWSGMSA-N
- InChI Identifier
InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h22-26,30-31H,2-21H2,1H3/b23-22+
- SMILES
CCCCCCCCCCCCCCCCCCCCC\C=C\C1=CC(O)=CC(O)=C1
- Structure
Structure for 5-Tricosenylresorcinol
Calculated Properties
- Solubility (ALOGPS)
- 3.97e-05 g/l
- LogS (ALOGPS)
- -7.04
- LogP (ALOGPS)
- 10.26
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 21
- Polar Surface Area
- 40.46
- Refractivity
- 137.3996
- Polarizability
- 58.761124884691675
- 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 | |
| Whole wheat bread | Cereals and cereal products | 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