Cepharanthine
IUPAC NAme: -
CAS Number: 481-49-2
Class: -
Plants contain this compound
1 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 14 |
กระท่อมเลือด |
- |
Stephania venosa (Blume.) Spreng. |
Menispermaceae |
2D Structure
Compound Properties
Smile
COC1=CC=C2C[C@H]3N(C)CCC4=C3C=C(OC3=C5OCOC5=CC5=C3[C@H](CC3=CC=C(OC1=C2)C=C3)N(C)CC5)C(OC)=C4
Physicochemical Properties
| Formula |
C37H38N2O6 |
| Molecular wieght(g/mol) |
606.71 |
| Num. of Heavy atoms |
45 |
| Num. of Aromatic Heavy atoms |
24 |
| Fraction Csp3 |
0.35 |
| Num. of Rotatable bonds |
2 |
| Num. of H-bond acceptors |
8 |
| Num. of H-bonds donors |
0 |
| Molar Refractivity |
179.15 |
| TPSA (square Angstrom) |
61.86 |
Lipophilicity
| iLOGP |
5.13 |
| XLOGP3 |
6.54 |
| WLOGP |
5.46 |
| MLOGP |
3.96 |
| Silicos-IT LOGP |
5.71 |
| Consensus LOGP |
5.36 |
Water Solubility
| ESOL |
|
| LogS |
-7.98 |
Solubility(mg/ml) |
6.29E-06 |
Solubility(mol/l) |
1.04E-08 |
Class |
Poorly soluble |
| Ali |
|
| LogS |
-7.64 |
Solubility(mg/ml) |
1.40E-05 |
Solubility(mol/l) |
2.31E-08 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-10.32 |
Solubility(mg/ml) |
2.88E-08 |
Solubility(mol/l) |
4.74E-11 |
Class |
Insoluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-5.36 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
3 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
3 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
2 |
| Synthetic Accessibility |
7.01 |
