gamma-Tocopherol
IUPAC name: 3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-2H-1-Benzopyran-6-ol
CAS Number: 54-28-4
Class: Vitamin
Mushrooms contain this compound
5 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 22 |
เห็ดตับเต่าขนมปังกะโหลก |
Penny bun |
Boletus edulis Bull. ex Fr. |
Boletaceae |
| 6 |
เห็ดนางฟ้า |
Lung Oyster |
Pleurotus sajor-caju (Fr.) Sing |
Pleurotaceae |
| 30 |
เห็ดมันปู |
Chanterelle |
Cantharellus cibarius Fr. |
Cantharellaceae |
| 36 |
เห็ดหน้าม่วง |
Charcoal burner |
Russula cyanoxantha (Schaeff.) Fr. |
Russulaceae |
| 39 |
เห็ดระโงกแดงอมส้ม |
Caesar'mushroom |
Amanita caesarea (Fr.) Schw |
Amanitaceae |
2D Structure
Compound Properties
SMILES
C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2)O)C
Physicochemical Properties
| Formula |
C28H48O2 |
| Molecular wieght(g/mol) |
416.68 |
| Num. of Heavy atoms |
30 |
| Num. of Aromatic Heavy atoms |
6 |
| Fraction Csp3 |
0.79 |
| Num. of Rotatable bonds |
12 |
| Num. of H-bond acceptors |
2 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
134.31 |
| TPSA (square Angstrom) |
29.46 |
Lipophilicity
| iLOGP |
5.16 |
| XLOGP3 |
10.33 |
| WLOGP |
8.53 |
| MLOGP |
5.94 |
| Silicos-IT LOGP |
9.20 |
| Consensus LOGP |
7.83 |
Water Solubility
| ESOL |
|
| LogS |
-8.29 |
Solubility(mg/ml) |
2.15E-06 |
Solubility(mol/l) |
5.16E-09 |
Class |
Poorly soluble |
| Ali |
|
| LogS |
-10.89 |
Solubility(mg/ml) |
5.38E-09 |
Solubility(mol/l) |
1.29E-11 |
Class |
Insoluble |
| Silicos-IT |
|
| LogS |
-8.79 |
Solubility(mg/ml) |
6.80E-07 |
Solubility(mol/l) |
1.63E-09 |
Class |
Poorly soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| 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) |
-1.51 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
3 |
| Veber Num. violations |
1 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
3 |
| Synthetic Accessibility |
5.00 |
Biological Activity
| Biological Activity |
JID |
| Antioxidant |
26 |
| Antioxidant |
40 |
