Tricosanoic acid
IUPAC name: Tricosanoic acid
CAS Number: 2433-96-7
Class: Fatty acid
Mushrooms contain this compound
4 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 5 |
เห็ดนางรมขาว |
Oyster mushroom |
Pleurotus ostreatus (Jacq.ex.Fr) Kummer |
Pleurotaceae |
| 6 |
เห็ดนางฟ้า |
Lung Oyster |
Pleurotus sajor-caju (Fr.) Sing |
Pleurotaceae |
| 9 |
เห็ดหูหนู |
Jew's ear |
Auricularia auricular-judae (Hooker) Underw. |
Auriculariaceae |
| 25 |
เห็ดขอนขาว |
- |
Lentinus squarrosulus Mont. |
Polyporaceae |
2D Structure
Compound Properties
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)O
Physicochemical Properties
| Formula |
C23H46O2 |
| Molecular wieght(g/mol) |
354.61 |
| Num. of Heavy atoms |
25 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.96 |
| Num. of Rotatable bonds |
21 |
| Num. of H-bond acceptors |
2 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
114.45 |
| TPSA (square Angstrom) |
37.30 |
Lipophilicity
| iLOGP |
5.01 |
| XLOGP3 |
10.91 |
| WLOGP |
8.28 |
| MLOGP |
5.79 |
| Silicos-IT LOGP |
8.33 |
| Consensus LOGP |
7.67 |
Water Solubility
| ESOL |
|
| LogS |
-7.53 |
Solubility(mg/ml) |
1.06E-05 |
Solubility(mol/l) |
2.98E-08 |
Class |
Poorly soluble |
| Ali |
|
| LogS |
-11.66 |
Solubility(mg/ml) |
7.83E-10 |
Solubility(mol/l) |
2.21E-12 |
Class |
Insoluble |
| Silicos-IT |
|
| LogS |
-8.10 |
Solubility(mg/ml) |
2.82E-06 |
Solubility(mol/l) |
7.96E-09 |
Class |
Poorly soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-0.72 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
2 |
| Veber Num. violations |
1 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
2 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
3 |
| Synthetic Accessibility |
3.12 |
