20-Hydroxylucidenic acid F
IUPAC name: (5alpha,20epsilon)-20-Hydroxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oic acid
CAS Number: 852567-72-7
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([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C
Physicochemical Properties
| Formula |
C27H36O7 |
| Molecular wieght(g/mol) |
472.57 |
| Num. of Heavy atoms |
34 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.74 |
| Num. of Rotatable bonds |
4 |
| Num. of H-bond acceptors |
7 |
| Num. of H-bonds donors |
2 |
| Molar Refractivity |
125.70 |
| TPSA (square Angstrom) |
125.81 |
Lipophilicity
| iLOGP |
1.86 |
| XLOGP3 |
1.23 |
| WLOGP |
3.46 |
| MLOGP |
1.59 |
| Silicos-IT LOGP |
4.78 |
| Consensus LOGP |
2.58 |
Water Solubility
| ESOL |
|
| LogS |
-3.28 |
Solubility(mg/ml) |
2.48E-01 |
Solubility(mol/l) |
5.24E-04 |
Class |
Soluble |
| Ali |
|
| LogS |
-3.47 |
Solubility(mg/ml) |
1.60E-01 |
Solubility(mol/l) |
3.39E-04 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-5.45 |
Solubility(mg/ml) |
1.69E-03 |
Solubility(mol/l) |
3.57E-06 |
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) |
-8.31 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
0 |
| 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 |
5.79 |
Biological Activity
| Biological Activity |
JID |
| Anticancer |
9 |
