Ganoderone C
IUPAC name: (5R,10S,13R,14R,17R)-17-[(2R)-4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
CAS Number: 873061-80-4
Class: Terpenoid
Mushrooms contain this compound
1 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 1 |
เห็ดหลินจือ |
Lingzhi |
Ganoderma lucidum ( Curtis ) P. Karst. |
Ganodermataceae |
2D Structure
Compound Properties
SMILES
OCC1(C)OC1CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C
Physicochemical Properties
| Formula |
C30H46O4 |
| Molecular wieght(g/mol) |
470.68 |
| Num. of Heavy atoms |
34 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.87 |
| Num. of Rotatable bonds |
5 |
| Num. of H-bond acceptors |
4 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
136.92 |
| TPSA (square Angstrom) |
66.90 |
Lipophilicity
| iLOGP |
4.37 |
| XLOGP3 |
5.14 |
| WLOGP |
6.05 |
| MLOGP |
4.06 |
| Silicos-IT LOGP |
7.28 |
| Consensus LOGP |
5.38 |
Water Solubility
| ESOL |
|
| LogS |
-5.67 |
Solubility(mg/ml) |
1.01E-03 |
Solubility(mol/l) |
2.16E-06 |
Class |
Moderately soluble |
| Ali |
|
| LogS |
-6.29 |
Solubility(mg/ml) |
2.41E-04 |
Solubility(mol/l) |
5.13E-07 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-7.14 |
Solubility(mg/ml) |
3.43E-05 |
Solubility(mol/l) |
7.28E-08 |
Class |
Poorly 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) |
-5.52 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
3 |
| Veber Num. violations |
0 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
2 |
| Synthetic Accessibility |
6.11 |
Biological Activity
| Biological Activity |
JID |
| Anticancer |
9 |
