Tetratriacontane
IUPAC name: Tetratriacontane
CAS Number: 14167-59-0
Class: Alkane
Mushrooms contain this compound
1 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 5 |
เห็ดนางรมขาว |
Oyster mushroom |
Pleurotus ostreatus (Jacq.ex.Fr) Kummer |
Pleurotaceae |
2D Structure
Compound Properties
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Physicochemical Properties
| Formula |
C34H70 |
| Molecular wieght(g/mol) |
478.92 |
| Num. of Heavy atoms |
34 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
1.00 |
| Num. of Rotatable bonds |
31 |
| Num. of H-bond acceptors |
0 |
| Num. of H-bonds donors |
0 |
| Molar Refractivity |
165.55 |
| TPSA (square Angstrom) |
0.00 |
Lipophilicity
| iLOGP |
8.92 |
| XLOGP3 |
18.03 |
| WLOGP |
13.51 |
| MLOGP |
10.19 |
| Silicos-IT LOGP |
14.19 |
| Consensus LOGP |
12.97 |
Water Solubility
| ESOL |
|
| LogS |
-12.12 |
Solubility(mg/ml) |
3.61E-10 |
Solubility(mol/l) |
7.55E-13 |
Class |
Insoluble |
| Ali |
|
| LogS |
-18.26 |
Solubility(mg/ml) |
2.63E-16 |
Solubility(mol/l) |
5.48E-19 |
Class |
Insoluble |
| Silicos-IT |
|
| LogS |
-13.45 |
Solubility(mg/ml) |
1.69E-11 |
Solubility(mol/l) |
3.53E-14 |
Class |
Insoluble |
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) |
3.58 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
3 |
| Veber Num. violations |
1 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
3 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
3 |
| Synthetic Accessibility |
4.45 |
