Oleic acid
IUPAC NAme: -
CAS Number: 112-80-1
Class: -
Plants contain this compound
4 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 10 |
กระเพรา |
- |
Ocimum sanctum. |
Lamiaceae |
| 17 |
กระบก |
- |
Irvingia malayana Oliv. ex A.W.Benn. |
Irvingiaceae |
| 36 |
ชุมเห็ดไทย |
- |
Senna tora (L.) Roxb. |
Fabaceae |
| 67 |
เทียนข้าวเปลือก |
- |
Foeniculum vulgare Mill. |
Umbelliferae |
| 67 |
เทียนดำ |
- |
Nigella sativa L. |
Ranunculaceae |
2D Structure
Compound Properties
Smile
CCCCCCCC\C=C/CCCCCCCC(O)=O
Physicochemical Properties
| Formula |
C18H34O2 |
| Molecular wieght(g/mol) |
282.46 |
| Num. of Heavy atoms |
20 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.83 |
| Num. of Rotatable bonds |
15 |
| Num. of H-bond acceptors |
2 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
89.94 |
| TPSA (square Angstrom) |
37.30 |
Lipophilicity
| iLOGP |
4.27 |
| XLOGP3 |
7.64 |
| WLOGP |
6.11 |
| MLOGP |
4.57 |
| Silicos-IT LOGP |
5.95 |
| Consensus LOGP |
5.71 |
Water Solubility
| ESOL |
|
| LogS |
-5.41 |
Solubility(mg/ml) |
1.09E-03 |
Solubility(mol/l) |
3.85E-06 |
Class |
Moderately soluble |
| Ali |
|
| LogS |
-8.26 |
Solubility(mg/ml) |
1.54E-06 |
Solubility(mol/l) |
5.46E-09 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-5.39 |
Solubility(mg/ml) |
1.14E-03 |
Solubility(mol/l) |
4.04E-06 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
Yes |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-2.60 |
Druglikeness
| Lipinski Num. violations |
1 |
| Ghose Num. violations |
1 |
| Veber Num. violations |
1 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
2 |
| Synthetic Accessibility |
3.07 |
