Table 2 Information about Syringin
From: Syringin exerts anti-breast cancer effects through PI3K-AKT and EGFR-RAS-RAF pathways
Properties | Parameters | Syringin |
|---|---|---|
Identity information | Molecule ID | MOL000347 |
PubChem CID | 5316860 | |
Canonical SMILES | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO | |
Absorption | Water solubility | -2.148 |
Caco2 permeability | 0.229 | |
Intestinal absorption (human) | 44.025 | |
Skin Permeability | -2.758 | |
Distribution | P-glycoprotein substrate | Yes |
P-glycoprotein I inhibitor | No | |
P-glycoprotein II inhibitor | No | |
VDss (human) | -0.209 | |
Fraction unbound (human) | 0.467 | |
BBB permeability | -1.25 | |
CNS permeability | -3.909 | |
Metabolism | CYP2D6 substrate | No |
CYP3A4 substrate | No | |
CYP1A2 inhibitor | No | |
CYP2C19 inhibitor | No | |
CYP2C9 inhibitor | No | |
CYP2D6 inhibitor | No | |
CYP3A4 inhibitor | No | |
Excretion | Total Clearance | 0.215 |
Renal OCT2 substrate | No | |
Toxicity | AMES toxicity | No |
Max. tolerated dose (human) | 0.89 | |
hERG I inhibitor | No | |
hERG II inhibitor | No | |
Oral Rat Acute Toxicity (LD50) | 1.83 | |
Oral Rat Chronic Toxicity (LOAEL) | 3.718 | |
Hepatotoxicity | No | |
Skin Sensitisation | No | |
T. Pyriformis toxicity | 0.285 | |
Minnow toxicity | 5.982 | |
Drug likeness | Lipinski | Yes; 0 violation |
Veber | Yes | |
Muegge | Yes | |
Bioavailability Score | 0.55 | |
Rule of Five | Suitable |