Ganosporelactone B
IUPAC name: 10,16,20-trihydroxy-2,3',7,9,13,17,17-heptamethyl-spiro[pentacyclo[10.8.0.02,9.04,8.013,18]icos-1(12)-ene-5,5'-tetrahydrofuran]-2',3,11-trione
CAS Number: 138008-05-6
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
CC1CC2(OC1=O)CC(C1C2C(=O)C2(C1(C)C(O)C(=O)C1=C2C(O)CC2C1(C)CCC(C2(C)C)O)C)C
Physicochemical Properties
| Formula |
C30H42O7 |
| Molecular wieght(g/mol) |
514.65 |
| Num. of Heavy atoms |
37 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.83 |
| Num. of Rotatable bonds |
0 |
| Num. of H-bond acceptors |
7 |
| Num. of H-bonds donors |
3 |
| Molar Refractivity |
137.33 |
| TPSA (square Angstrom) |
121.13 |
Lipophilicity
| iLOGP |
2.35 |
| XLOGP3 |
2.57 |
| WLOGP |
2.98 |
| MLOGP |
2.34 |
| Silicos-IT LOGP |
3.53 |
| Consensus LOGP |
2.76 |
Water Solubility
| ESOL |
|
| LogS |
-4.65 |
Solubility(mg/ml) |
1.15E-02 |
Solubility(mol/l) |
2.24E-05 |
Class |
Moderately soluble |
| Ali |
|
| LogS |
-4.76 |
Solubility(mg/ml) |
8.91E-03 |
Solubility(mol/l) |
1.73E-05 |
Class |
Moderately soluble |
| Silicos-IT |
|
| LogS |
-4.52 |
Solubility(mg/ml) |
1.55E-02 |
Solubility(mol/l) |
3.01E-05 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
Yes |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-7.61 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
3 |
| 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 |
1 |
| Synthetic Accessibility |
7.01 |
Biological Activity
| Biological Activity |
JID |
| Anticancer |
9 |
