Palmitic acid
IUPAC name: Hexadecanoic acid
CAS Number: 57-10-3
Class: Fatty acid
Mushrooms contain this compound
8 mushrooms
| MushID | Thai name | Common name | Scientific name | Family |
|---|---|---|---|---|
| 22 | เห็ดตับเต่าขนมปังกะโหลก | Penny bun | Boletus edulis Bull. ex Fr. | Boletaceae |
| 3 | เห็ดแครง | Spit gills | Schizophyllum commune Fr. | Schizophyllaceae |
| 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 |
| 16 | เห็ดโคน | - | Termitomyces globulus R. Heim & Gooss.-Font. | Lyophyllaceae |
| 25 | เห็ดขอนขาว | - | Lentinus squarrosulus Mont. | Polyporaceae |
| 26 | เห็ดข้าวตอก | - | Termitomyces microcarpus (Berk. & Br.) | Lyophyllaceae |
3D Structure
2D Structure
Compound Properties
SMILES
CCCCCCCCCCCCCCCC(=O)OPhysicochemical Properties
| Formula | C16H32O2 |
| Molecular wieght(g/mol) | 256.42 |
| Num. of Heavy atoms | 18 |
| Num. of Aromatic Heavy atoms | 0 |
| Fraction Csp3 | 0.94 |
| Num. of Rotatable bonds | 14 |
| Num. of H-bond acceptors | 2 |
| Num. of H-bonds donors | 1 |
| Molar Refractivity | 80.80 |
| TPSA (square Angstrom) | 37.30 |
Lipophilicity
| iLOGP | 3.85 |
| XLOGP3 | 7.17 |
| WLOGP | 5.55 |
| MLOGP | 4.19 |
| Silicos-IT LOGP | 5.25 |
| Consensus LOGP | 5.20 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | -5.02 | Solubility(mg/ml) | 2.43E-03 | Solubility(mol/l) | 9.49E-06 | Class | Moderately soluble |
| Ali | |||||||
| LogS | -7.77 | Solubility(mg/ml) | 4.31E-06 | Solubility(mol/l) | 1.68E-08 | Class | Poorly soluble |
| Silicos-IT | |||||||
| LogS | -5.31 | Solubility(mg/ml) | 1.25E-03 | Solubility(mol/l) | 4.88E-06 | Class | Moderately soluble |
Pharmacokinetics
| GI absorbtion | High |
| BBB permeant | Yes |
| Pgp substrate | No |
| CYP1A2 inhibitor | Yes |
| CYP2C19 inhibitor | No |
| CYP2C9 inhibitor | Yes |
| CYP2D6 inhibitor | No |
| CYP3A4 inhibitor | No |
| Log Kp (skin permeation) (cm/s) | -2.77 |
Druglikeness
| Lipinski Num. violations | 1 |
| Ghose Num. violations | 0 |
| Veber Num. violations | 1 |
| Egan Num. violations | 0 |
| Muegge Num. violations | 1 |
| Bioavailability Score | 0.56 |
Medicinal Chemistry
| PAINS Num. of alerts | 0 |
| Brenk Num. of alerts | 0 |
| Leadlikeness Num. of violations | 2 |
| Synthetic Accessibility | 2.31 |
Biological Activity
| Biological Activity | JID |
|---|