precursor

Showing entry for Genistin

Identification

PhytoHub ID
PHUB000226
Name
Genistin
Systematic Name
Not Available
Synonyms
  • 5,7,4'-Trihydroxyisoflavone 7-O-glucoside
  • Genistein 7-O-glucoside
CAS Number
Not Available
Average Mass
432.381
Monoisotopic Mass
432.105646844
Chemical Formula
C21H20O10
IUPAC Name
genistin
InChI Key
ZCOLJUOHXJRHDI-CMWLGVBASA-N
InChI Identifier
InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
SMILES
OC[[email protected]]1O[[email protected]@H](OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.01e+00 g/l
LogS (ALOGPS)
-2.63
LogP (ALOGPS)
0.68
Hydrogen Acceptors
10
Hydrogen Donors
6
Rotatable Bond Count
4
Polar Surface Area
166.14000000000001
Refractivity
103.82730000000002
Polarizability
42.05922629610282
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.981092343758667
pKa (strongest acidic)
7.2729960770884
Number of Rings
4
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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