Identification

PhytoHub ID
PHUB001764
Name
Glabridin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
59870-68-7
Average Mass
324.376
Monoisotopic Mass
324.136159124
Chemical Formula
C20H20O4
IUPAC Name
4-[(3R)-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
InChI Key
LBQIJVLKGVZRIW-ZDUSSCGKSA-N
InChI Identifier
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
SMILES
CC1(C)OC2=C(C=C1)C1=C(C[C@@H](CO1)C1=C(O)C=C(O)C=C1)C=C2
Structure

Calculated Properties

Solubility (ALOGPS)
9.26e-03 g/l
LogS (ALOGPS)
-4.54
LogP (ALOGPS)
3.81
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
58.92
Refractivity
93.35359999999999
Polarizability
35.92095516975137
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.58598679058369
pKa (strongest acidic)
9.516526753486659
Number of Rings
4
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Miscellaneous flavonoids

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
LiquoriceConfectioneries and dessertsShow

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

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