Genistein
IUPAC NAme: -
CAS Number: 446-72-0
Class: -
Plants contain this compound
1 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 21 |
กวาวเครือ |
- |
Pueraria mirifica Airy Shaw et Suvatabandhu. |
Leguminosae |
2D Structure
Compound Properties
Smile
OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O
Physicochemical Properties
| Formula |
C15H10O5 |
| Molecular wieght(g/mol) |
270.24 |
| Num. of Heavy atoms |
20 |
| Num. of Aromatic Heavy atoms |
16 |
| Fraction Csp3 |
0.00 |
| Num. of Rotatable bonds |
1 |
| Num. of H-bond acceptors |
5 |
| Num. of H-bonds donors |
3 |
| Molar Refractivity |
73.99 |
| TPSA (square Angstrom) |
90.90 |
Lipophilicity
| iLOGP |
1.91 |
| XLOGP3 |
2.67 |
| WLOGP |
2.58 |
| MLOGP |
0.52 |
| Silicos-IT LOGP |
2.52 |
| Consensus LOGP |
2.04 |
Water Solubility
| ESOL |
|
| LogS |
-3.72 |
Solubility(mg/ml) |
5.11E-02 |
Solubility(mol/l) |
1.89E-04 |
Class |
Soluble |
| Ali |
|
| LogS |
-4.23 |
Solubility(mg/ml) |
1.59E-02 |
Solubility(mol/l) |
5.88E-05 |
Class |
Moderately soluble |
| Silicos-IT |
|
| LogS |
-4.40 |
Solubility(mg/ml) |
1.07E-02 |
Solubility(mol/l) |
3.94E-05 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
Yes |
| CYP3A4 inhibitor |
Yes |
| Log Kp (skin permeation) (cm/s) |
-6.05 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
0 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
0 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
0 |
| Synthetic Accessibility |
2.87 |
