Syringaresinol
precursor
Showing entry for Syringaresinol
Identification
- PhytoHub ID
- PHUB001737
- Name
- Syringaresinol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 418.442
- Monoisotopic Mass
- 418.162767797
- Chemical Formula
- C22H26O8
- IUPAC Name
- 4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
- InChI Key
- KOWMJRJXZMEZLD-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3
- SMILES
COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(O)C(OC)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.79e-02 g/l
- LogS (ALOGPS)
- -3.94
- LogP (ALOGPS)
- 2.23
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 6
- Polar Surface Area
- 95.84000000000002
- Refractivity
- 108.02659999999999
- Polarizability
- 43.448836150602126
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.7414184111188975
- pKa (strongest acidic)
- 9.001968892253409
- Number of Rings
- 4
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Lignans
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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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