7-Oxoganoderic acid Z
IUPAC name: (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
CAS Number: 929248-72-6
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
C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)CC/C=C(/C(=O)O)\C
Physicochemical Properties
| Formula |
C30H46O4 |
| Molecular wieght(g/mol) |
470.68 |
| Num. of Heavy atoms |
34 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.80 |
| Num. of Rotatable bonds |
5 |
| Num. of H-bond acceptors |
4 |
| Num. of H-bonds donors |
2 |
| Molar Refractivity |
139.01 |
| TPSA (square Angstrom) |
74.60 |
Lipophilicity
| iLOGP |
4.13 |
| XLOGP3 |
6.68 |
| WLOGP |
6.72 |
| MLOGP |
4.78 |
| Silicos-IT LOGP |
6.44 |
| Consensus LOGP |
5.75 |
Water Solubility
| ESOL |
|
| LogS |
-6.64 |
Solubility(mg/ml) |
1.09E-04 |
Solubility(mol/l) |
2.31E-07 |
Class |
Poorly soluble |
| Ali |
|
| LogS |
-8.05 |
Solubility(mg/ml) |
4.20E-06 |
Solubility(mol/l) |
8.92E-09 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-6.03 |
Solubility(mg/ml) |
4.41E-04 |
Solubility(mol/l) |
9.38E-07 |
Class |
Poorly soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
No |
| Pgp substrate |
Yes |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
Yes |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
Yes |
| Log Kp (skin permeation) (cm/s) |
-4.43 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
3 |
| Veber Num. violations |
0 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
2 |
| Synthetic Accessibility |
6.03 |
Biological Activity
| Biological Activity |
JID |
| Antitumour |
7 |
| Anti-HIV |
7 |
| Hypoglycemic |
7 |
| Antiplatelet aggregation |
7 |
| Neuroprotective |
7 |
| Hepatoprotective |
7 |
| Antiobesity |
7 |
