1-Triacontanol
IUPAC NAme: -
CAS Number: 593-50-0
Class: -
Plants contain this compound
1 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 86 |
พญาปล้องทอง |
- |
Clinacanthus nutans (Burm.f) Lindau. |
Acanthaceae |
2D Structure
Compound Properties
Smile
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Physicochemical Properties
| Formula |
C30H62O |
| Molecular wieght(g/mol) |
438.81 |
| Num. of Heavy atoms |
31 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
1.00 |
| Num. of Rotatable bonds |
28 |
| Num. of H-bond acceptors |
1 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
147.49 |
| TPSA (square Angstrom) |
20.23 |
Lipophilicity
| iLOGP |
7.67 |
| XLOGP3 |
14.70 |
| WLOGP |
10.92 |
| MLOGP |
7.46 |
| Silicos-IT LOGP |
11.84 |
| Consensus LOGP |
10.52 |
Water Solubility
| ESOL |
|
| LogS |
-9.97 |
Solubility(mg/ml) |
4.66E-08 |
Solubility(mol/l) |
1.06E-10 |
Class |
Poorly soluble |
| Ali |
|
| LogS |
-15.23 |
Solubility(mg/ml) |
2.58E-13 |
Solubility(mol/l) |
5.89E-16 |
Class |
Insoluble |
| Silicos-IT |
|
| LogS |
-11.32 |
Solubility(mg/ml) |
2.11E-09 |
Solubility(mol/l) |
4.82E-12 |
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) |
1.46 |
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 |
3.97 |
