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
Similar Structures

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 Online Resources

No spectra information available

Food Sources

NameGroup
CapersHerbs and Spices PublicationsShow
FlaxseedOilseed crops PublicationsShow
RyeCereals and cereal products PublicationsShow
Rye breadCereals and cereal products PublicationsShow
SesameOilseed crops PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(+)-Matairesinol (+)-MatairesinolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC20H22O6358.141638428 Detailed Intervention Studies
Secoisolariciresinol diglucoside (+)-MatairesinolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC20H22O6358.141638428 Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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