Lucidimine B
IUPAC name: 1,2,3,4-tetrahydro-[1]Benzopyrano[4,3-b]cyclopenta[d]pyridin-8-ol
CAS Number: 2170657-06-2
Class: Alkaloid
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
Oc1ccc2c(c1)c1ncc3c(c1CO2)CCC3
Physicochemical Properties
| Formula |
C15H13NO2 |
| Molecular wieght(g/mol) |
239.27 |
| Num. of Heavy atoms |
18 |
| Num. of Aromatic Heavy atoms |
12 |
| Fraction Csp3 |
0.27 |
| Num. of Rotatable bonds |
0 |
| Num. of H-bond acceptors |
3 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
68.86 |
| TPSA (square Angstrom) |
42.35 |
Lipophilicity
| iLOGP |
2.33 |
| XLOGP3 |
2.54 |
| WLOGP |
2.68 |
| MLOGP |
1.93 |
| Silicos-IT LOGP |
3.66 |
| Consensus LOGP |
2.63 |
Water Solubility
| ESOL |
|
| LogS |
-3.42 |
Solubility(mg/ml) |
9.16E-02 |
Solubility(mol/l) |
3.83E-04 |
Class |
Soluble |
| Ali |
|
| LogS |
-3.08 |
Solubility(mg/ml) |
2.01E-01 |
Solubility(mol/l) |
8.39E-04 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-4.82 |
Solubility(mg/ml) |
3.65E-03 |
Solubility(mol/l) |
1.53E-05 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
Yes |
| Pgp substrate |
Yes |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
Yes |
| CYP3A4 inhibitor |
Yes |
| Log Kp (skin permeation) (cm/s) |
-5.96 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
0 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
0 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
2.80 |
Biological Activity
| Biological Activity |
JID |
| Antiallergic |
44 |
