DL-Limonene
IUPAC NAme: -
CAS Number: 138-86-3
Class: -
Plants contain this compound
7 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 10 |
กระเพรา |
- |
Ocimum sanctum. |
Lamiaceae |
| 18 |
กระวาน |
- |
Amomum verum Blackw. |
Zingiberaceae |
| 22 |
การบูร |
- |
Cinnamomum camphora (L.) J.Presl |
Lauraceae |
| 34 |
ช้าพลู |
- |
Piper sarmentosum Roxb. |
Piperaceae |
| 40 |
ตะไคร้ |
- |
Cymbopogon citratus (DC.) Stapf |
Poaceae |
| 65 |
เทียนขาว |
- |
Cuminum cyminum L. |
Apiaceae |
| 67 |
เทียนข้าวเปลือก |
- |
Foeniculum vulgare Mill. |
Umbelliferae |
| 67 |
เทียนดำ |
- |
Nigella sativa L. |
Ranunculaceae |
2D Structure
Compound Properties
Smile
CC(=C)C1CCC(C)=CC1
Physicochemical Properties
| Formula |
C10H16 |
| Molecular wieght(g/mol) |
136.23 |
| Num. of Heavy atoms |
10 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.60 |
| Num. of Rotatable bonds |
1 |
| Num. of H-bond acceptors |
0 |
| Num. of H-bonds donors |
0 |
| Molar Refractivity |
47.12 |
| TPSA (square Angstrom) |
0.00 |
Lipophilicity
| iLOGP |
2.72 |
| XLOGP3 |
4.57 |
| WLOGP |
3.31 |
| MLOGP |
3.27 |
| Silicos-IT LOGP |
2.97 |
| Consensus LOGP |
3.37 |
Water Solubility
| ESOL |
|
| LogS |
-3.50 |
Solubility(mg/ml) |
4.33E-02 |
Solubility(mol/l) |
3.18E-04 |
Class |
Soluble |
| Ali |
|
| LogS |
-4.29 |
Solubility(mg/ml) |
6.93E-03 |
Solubility(mol/l) |
5.09E-05 |
Class |
Moderately soluble |
| Silicos-IT |
|
| LogS |
-2.26 |
Solubility(mg/ml) |
7.54E-01 |
Solubility(mol/l) |
5.53E-03 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
Yes |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
Yes |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-3.89 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
1 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
2 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
2 |
| Synthetic Accessibility |
3.46 |
