Alpha-Phellandrene
IUPAC NAme: -
CAS Number: 99-83-2
Class: -
Plants contain this compound
5 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 22 |
การบูร |
- |
Cinnamomum camphora (L.) J.Presl |
Lauraceae |
| 65 |
เทียนขาว |
- |
Cuminum cyminum L. |
Apiaceae |
| 66 |
เทียนขาว |
- |
Cuminum cyminum L. |
Umbelliferae |
| 66 |
เทียนข้าวเปลือก |
- |
Foeniculum vulgare Mill. |
Apiaceae |
| 80 |
ฝางเสน |
- |
Caesalpinia sappan L. |
Leguminosae |
| 85 |
ผักเหี่ย |
- |
Artemisia vulgaris L. |
Asteraceae |
| 85 |
ผักเหี่ย |
- |
Artemisia vulgaris L. |
Compositae |
2D Structure
Compound Properties
Smile
CC(C)C1CC=C(C)C=C1
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 |
2.64 |
| XLOGP3 |
3.21 |
| WLOGP |
3.16 |
| MLOGP |
3.27 |
| Silicos-IT LOGP |
2.55 |
| Consensus LOGP |
2.97 |
Water Solubility
| ESOL |
|
| LogS |
-2.64 |
Solubility(mg/ml) |
3.11E-01 |
Solubility(mol/l) |
2.29E-03 |
Class |
Soluble |
| Ali |
|
| LogS |
-2.88 |
Solubility(mg/ml) |
1.79E-01 |
Solubility(mol/l) |
1.31E-03 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-1.78 |
Solubility(mg/ml) |
2.27E+00 |
Solubility(mol/l) |
1.67E-02 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
Yes |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-4.85 |
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 |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
4.15 |
