Glabridin
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
Structure for Glabridin
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
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Miscellaneous flavonoids
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
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