Cordycepic acid
IUPAC name: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CAS Number: 69-65-8
Class: Saccharide
Mushrooms contain this compound
1 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 2 |
ถั่งเช่าทิเบต |
caterpillar fungus |
Cordyceps sinensis (Berk.) Sacc. |
Ophiocordycipitaceae |
2D Structure
Compound Properties
SMILES
OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Physicochemical Properties
| Formula |
C6H14O6 |
| Molecular wieght(g/mol) |
182.17 |
| Num. of Heavy atoms |
12 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
1.00 |
| Num. of Rotatable bonds |
5 |
| Num. of H-bond acceptors |
6 |
| Num. of H-bonds donors |
6 |
| Molar Refractivity |
37.93 |
| TPSA (square Angstrom) |
121.38 |
Lipophilicity
| iLOGP |
0.23 |
| XLOGP3 |
-3.10 |
| WLOGP |
-3.59 |
| MLOGP |
-2.77 |
| Silicos-IT LOGP |
-1.91 |
| Consensus LOGP |
-2.23 |
Water Solubility
| ESOL |
|
| LogS |
1.31 |
Solubility(mg/ml) |
3.75E+03 |
Solubility(mol/l) |
2.06E+01 |
Class |
Highly soluble |
| Ali |
|
| LogS |
1.12 |
Solubility(mg/ml) |
2.38E+03 |
Solubility(mol/l) |
1.31E+01 |
Class |
Highly soluble |
| Silicos-IT |
|
| LogS |
2.57 |
Solubility(mg/ml) |
6.71E+04 |
Solubility(mol/l) |
3.68E+02 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| 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) |
-9.61 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
2 |
| 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 |
1 |
| Synthetic Accessibility |
3.30 |
Biological Activity
| Biological Activity |
JID |
| Improving the plasma osmotic pressure |
12 |
| Treating liver fibrosis diuretic |
12 |
| Antioxidant |
40 |
