precursor

Showing entry for Glabridin

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
Similar Structures

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 Phytohub

Food Sources

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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