Lucidimine C
IUPAC name: 1,2,3,4-tetrahydro-4-methoxy-, (-)-[1]Benzopyrano[4,3-b]cyclopenta[d]pyridin-8-ol
CAS Number: 2170657-07-3
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
COC1Oc2ccc(cc2c2c1c1CCCc1cn2)O
Physicochemical Properties
| Formula |
C16H15NO3 |
| Molecular wieght(g/mol) |
269.30 |
| Num. of Heavy atoms |
20 |
| Num. of Aromatic Heavy atoms |
12 |
| Fraction Csp3 |
0.31 |
| Num. of Rotatable bonds |
1 |
| Num. of H-bond acceptors |
4 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
74.75 |
| TPSA (square Angstrom) |
51.58 |
Lipophilicity
| iLOGP |
2.56 |
| XLOGP3 |
2.52 |
| WLOGP |
2.66 |
| MLOGP |
2.01 |
| Silicos-IT LOGP |
3.24 |
| Consensus LOGP |
2.60 |
Water Solubility
| ESOL |
|
| LogS |
-3.48 |
Solubility(mg/ml) |
9.02E-02 |
Solubility(mol/l) |
3.35E-04 |
Class |
Soluble |
| Ali |
|
| LogS |
-3.25 |
Solubility(mg/ml) |
1.52E-01 |
Solubility(mol/l) |
5.63E-04 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-4.71 |
Solubility(mg/ml) |
5.29E-03 |
Solubility(mol/l) |
1.96E-05 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
Yes |
| Pgp substrate |
Yes |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
Yes |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
Yes |
| CYP3A4 inhibitor |
Yes |
| Log Kp (skin permeation) (cm/s) |
-6.15 |
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 |
0 |
| Synthetic Accessibility |
3.46 |
Biological Activity
| Biological Activity |
JID |
| Antiallergic |
44 |
