Carvacrol
IUPAC NAme: -
CAS Number: 499-75-2
Class: -
Plants contain this compound
3 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 22 |
การบูร |
- |
Cinnamomum camphora (L.) J.Presl |
Lauraceae |
| 67 |
เทียนข้าวเปลือก |
- |
Foeniculum vulgare Mill. |
Umbelliferae |
| 67 |
เทียนดำ |
- |
Nigella sativa L. |
Ranunculaceae |
| 71 |
โกฐเชียง |
- |
Angelica sinensis (Oliv.) Diels |
Umbelliferae |
2D Structure
Compound Properties
Smile
CC(C)C1=CC=C(C)C(O)=C1
Physicochemical Properties
| Formula |
C10H14O |
| Molecular wieght(g/mol) |
150.22 |
| Num. of Heavy atoms |
11 |
| Num. of Aromatic Heavy atoms |
6 |
| Fraction Csp3 |
0.40 |
| Num. of Rotatable bonds |
1 |
| Num. of H-bond acceptors |
1 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
48.01 |
| TPSA (square Angstrom) |
20.23 |
Lipophilicity
| iLOGP |
2.24 |
| XLOGP3 |
3.49 |
| WLOGP |
2.82 |
| MLOGP |
2.76 |
| Silicos-IT LOGP |
2.79 |
| Consensus LOGP |
2.82 |
Water Solubility
| ESOL |
|
| LogS |
-3.31 |
Solubility(mg/ml) |
7.40E-02 |
Solubility(mol/l) |
4.92E-04 |
Class |
Soluble |
| Ali |
|
| LogS |
-3.60 |
Solubility(mg/ml) |
3.79E-02 |
Solubility(mol/l) |
2.53E-04 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-3.01 |
Solubility(mg/ml) |
1.46E-01 |
Solubility(mol/l) |
9.71E-04 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
Yes |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-4.74 |
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 |
1.00 |
