Cordycepin
IUPAC name: (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CAS Number: 73-03-0
Class: Nucleoside
Mushrooms contain this compound
2 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 2 |
ถั่งเช่าทิเบต |
caterpillar fungus |
Cordyceps sinensis (Berk.) Sacc. |
Ophiocordycipitaceae |
| 22 |
เห็ดตับเต่าขนมปังกะโหลก |
Penny bun |
Boletus edulis Bull. ex Fr. |
Boletaceae |
2D Structure
Compound Properties
SMILES
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O
Physicochemical Properties
| Formula |
C10H13N5O3 |
| Molecular wieght(g/mol) |
251.24 |
| Num. of Heavy atoms |
18 |
| Num. of Aromatic Heavy atoms |
9 |
| Fraction Csp3 |
0.50 |
| Num. of Rotatable bonds |
2 |
| Num. of H-bond acceptors |
6 |
| Num. of H-bonds donors |
3 |
| Molar Refractivity |
61.51 |
| TPSA (square Angstrom) |
119.31 |
Lipophilicity
| iLOGP |
1.07 |
| XLOGP3 |
-0.61 |
| WLOGP |
-1.27 |
| MLOGP |
-1.54 |
| Silicos-IT LOGP |
-1.48 |
| Consensus LOGP |
-0.77 |
Water Solubility
| ESOL |
|
| LogS |
-1.25 |
Solubility(mg/ml) |
1.41E+01 |
Solubility(mol/l) |
5.61E-02 |
Class |
Very soluble |
| Ali |
|
| LogS |
-1.42 |
Solubility(mg/ml) |
9.47E+00 |
Solubility(mol/l) |
3.77E-02 |
Class |
Very soluble |
| Silicos-IT |
|
| LogS |
-0.40 |
Solubility(mg/ml) |
1.00E+02 |
Solubility(mol/l) |
3.98E-01 |
Class |
Soluble |
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) |
-8.27 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
1 |
| 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 |
3.67 |
Biological Activity
| Biological Activity |
JID |
| Neuroprotective |
12 |
| Anti-inflammatory |
12 |
| Antioxidant |
12 |
| Antitumour |
12 |
| Antiviral |
12 |
| Antibacterial |
12 |
| Insecticide |
12 |
