Ganoderiol F
IUPAC name: (5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
CAS Number: 114567-47-4
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
OCC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)CO
Physicochemical Properties
| Formula |
C30H46O3 |
| Molecular wieght(g/mol) |
454.68 |
| Num. of Heavy atoms |
33 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.77 |
| Num. of Rotatable bonds |
6 |
| Num. of H-bond acceptors |
3 |
| Num. of H-bonds donors |
2 |
| Molar Refractivity |
137.93 |
| TPSA (square Angstrom) |
57.53 |
Lipophilicity
| iLOGP |
4.50 |
| XLOGP3 |
5.80 |
| WLOGP |
6.41 |
| MLOGP |
4.82 |
| Silicos-IT LOGP |
6.77 |
| Consensus LOGP |
5.66 |
Water Solubility
| ESOL |
|
| LogS |
-5.92 |
Solubility(mg/ml) |
5.5E-4 |
Solubility(mol/l) |
1.21E-6 |
Class |
Moderately soluble |
| Ali |
|
| LogS |
-6.78 |
Solubility(mg/ml) |
7.58E-5 |
Solubility(mol/l) |
1.67E-7 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-6.28 |
Solubility(mg/ml) |
2.38E-4 |
Solubility(mol/l) |
5.24E-7 |
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 |
Yes |
| Log Kp (skin permeation) (cm/s) |
-4.96 |
Druglikeness
| Lipinski Num. violations |
1 |
| 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 |
6.21 |
Biological Activity
| Biological Activity |
JID |
| Antitumour |
6 |
| Anti-angiogenic |
6 |
| Anti-HIV |
6 |
| Antihistaminic |
6 |
| Anti hepatotoxic |
6 |
| Complement inhibition |
6 |
| Hypocholesterolemic |
6 |
| Antiplatelet aggregation |
6 |
