ganoderic acid Mi
IUPAC name: (Z)-6-(3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
CAS Number: 110024-16-3
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
CO[C@@H]1C[C@H]2C(C)(C)[C@@H](CC[C@@]2(C2=C1[C@]1(C)[C@@H](O)C[C@@H]([C@]1(CC2)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C)OC(=O)C
Physicochemical Properties
| Formula |
C33H52O6 |
| Molecular wieght(g/mol) |
544.76 |
| Num. of Heavy atoms |
39 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.82 |
| Num. of Rotatable bonds |
8 |
| Num. of H-bond acceptors |
6 |
| Num. of H-bonds donors |
2 |
| Molar Refractivity |
155.60 |
| TPSA (square Angstrom) |
93.06 |
Lipophilicity
| iLOGP |
4.22 |
| XLOGP3 |
6.08 |
| WLOGP |
6.71 |
| MLOGP |
4.52 |
| Silicos-IT LOGP |
6.08 |
| Consensus LOGP |
5.52 |
Water Solubility
| ESOL |
|
| LogS |
-6.52 |
Solubility(mg/ml) |
1.65E-04 |
Solubility(mol/l) |
3.02E-07 |
Class |
Poorly soluble |
| Ali |
|
| LogS |
-7.81 |
Solubility(mg/ml) |
8.35E-06 |
Solubility(mol/l) |
1.53E-08 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-5.80 |
Solubility(mg/ml) |
8.67E-04 |
Solubility(mol/l) |
1.59E-06 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
No |
| Pgp substrate |
Yes |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
Yes |
| Log Kp (skin permeation) (cm/s) |
-5.31 |
Druglikeness
| Lipinski Num. violations |
2 |
| Ghose Num. violations |
4 |
| 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 |
2 |
| Leadlikeness Num. of violations |
3 |
| Synthetic Accessibility |
6.76 |
Biological Activity
| Biological Activity |
JID |
| Antitumour |
7 |
| Anti-HIV |
7 |
| Hypoglycemic |
7 |
| Antiplatelet aggregation |
7 |
| Neuroprotective |
7 |
| Hepatoprotective |
7 |
| Antiobesity |
7 |
