Lucidenic acid M
IUPAC name: 4-(3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
CAS Number: 110241-33-3
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
OC(=O)CCC(C1CC(C2(C1(C)CC(=O)C1=C2C(O)CC2C1(C)CCC(C2(C)C)O)C)O)C
Physicochemical Properties
| Formula |
C27H42O6 |
| Molecular wieght(g/mol) |
462.62 |
| Num. of Heavy atoms |
33 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.85 |
| Num. of Rotatable bonds |
4 |
| Num. of H-bond acceptors |
6 |
| Num. of H-bonds donors |
4 |
| Molar Refractivity |
127.39 |
| TPSA (square Angstrom) |
115.06 |
Lipophilicity
| iLOGP |
3.11 |
| XLOGP3 |
2.70 |
| WLOGP |
3.72 |
| MLOGP |
2.65 |
| Silicos-IT LOGP |
3.77 |
| Consensus LOGP |
3.19 |
Water Solubility
| ESOL |
|
| LogS |
-4.15 |
Solubility(mg/ml) |
3.31E-02 |
Solubility(mol/l) |
7.16E-05 |
Class |
Moderately soluble |
| Ali |
|
| LogS |
-4.77 |
Solubility(mg/ml) |
7.87E-03 |
Solubility(mol/l) |
1.70E-05 |
Class |
Moderately soluble |
| Silicos-IT |
|
| LogS |
-3.95 |
Solubility(mg/ml) |
5.20E-02 |
Solubility(mol/l) |
1.12E-04 |
Class |
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 |
Yes |
| Log Kp (skin permeation) (cm/s) |
-7.20 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
1 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
0 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
6.20 |
Biological Activity
| Biological Activity |
JID |
| Anticancer |
9 |
