5-Pentadecadienylresorcinol
precursor
Showing entry for 5-Pentadecadienylresorcinol
Identification
- PhytoHub ID
- PHUB002592
- Name
- 5-Pentadecadienylresorcinol
- Systematic Name
- 5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol
- Synonyms
- Cardoldiene
- CAS Number
- 79473-25-9
- Average Mass
- 316.485
- Monoisotopic Mass
- 316.24023027
- Chemical Formula
- C21H32O2
- IUPAC Name
- 5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol
- InChI Key
- UFMJCOLGRWKUKO-UTOQUPLUSA-N
- InChI Identifier
InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-
- SMILES
CCC\C=C/C\C=C/CCCCCCCC1=CC(O)=CC(O)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 5.83e-04 g/l
- LogS (ALOGPS)
- -5.73
- LogP (ALOGPS)
- 7.76
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 12
- Polar Surface Area
- 40.46
- Refractivity
- 101.70820000000002
- Polarizability
- 39.981156746937884
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.665057916048886
- pKa (strongest acidic)
- 9.359032641616453
- 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
Spectra from Phytohub
Food Sources
No food source information available
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