Lucidenic acid O
IUPAC name: (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
CAS Number: 250643-33-5
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[C@]1(C)[C@@H](O)CC[C@]2([C@H]1C[C@H](O)C1=C2C(=O)C[C@]2([C@@]1(C)[C@@H](O)C[C@@H]2C(=C)CCC(=O)O)C)C
Physicochemical Properties
| Formula |
C27H40O7 |
| Molecular wieght(g/mol) |
476.60 |
| Num. of Heavy atoms |
34 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.78 |
| Num. of Rotatable bonds |
5 |
| Num. of H-bond acceptors |
7 |
| Num. of H-bonds donors |
5 |
| Molar Refractivity |
128.08 |
| TPSA (square Angstrom) |
135.29 |
Lipophilicity
| iLOGP |
2.42 |
| XLOGP3 |
2.04 |
| WLOGP |
2.61 |
| MLOGP |
1.76 |
| Silicos-IT LOGP |
3.18 |
| Consensus LOGP |
2.40 |
Water Solubility
| ESOL |
|
| LogS |
-3.75 |
Solubility(mg/ml) |
8.47E-02 |
Solubility(mol/l) |
1.78E-04 |
Class |
Soluble |
| Ali |
|
| LogS |
-4.51 |
Solubility(mg/ml) |
1.48E-02 |
Solubility(mol/l) |
3.10E-05 |
Class |
Moderately soluble |
| Silicos-IT |
|
| LogS |
-3.39 |
Solubility(mg/ml) |
1.96E-01 |
Solubility(mol/l) |
4.10E-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) |
-7.76 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
1 |
| Veber Num. violations |
0 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
0 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
6.29 |
Biological Activity
| Biological Activity |
JID |
| Anticancer |
9 |
