(+)-Matairesinol
precursor
Showing entry for (+)-Matairesinol
Identification
- PhytoHub ID
- PHUB001388
- Name
- (+)-Matairesinol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 358.39
- Monoisotopic Mass
- 358.141638428
- Chemical Formula
- C20H22O6
- IUPAC Name
- (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
- InChI Key
- MATGKVZWFZHCLI-LSDHHAIUSA-N
- InChI Identifier
InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
- SMILES
COC1=C(O)C=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)=C1
- Structure
Structure for (+)-Matairesinol
Calculated Properties
- Solubility (ALOGPS)
- 1.21e-02 g/l
- LogS (ALOGPS)
- -4.47
- LogP (ALOGPS)
- 2.79
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 6
- Polar Surface Area
- 85.22000000000001
- Refractivity
- 95.63440000000001
- Polarizability
- 37.126811984404824
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.5896887507776425
- pKa (strongest acidic)
- 9.644700805894656
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- Yes
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Lignans
- Sub-class
- Not Available
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found