(+)-Dihydrocarvone
IUPAC NAme: -
CAS Number: 7764-50-3
Class: -
Plants contain this compound
2 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 29 |
ขึ้นฉ่าย |
- |
Apium graveolens L. |
Apiaceae |
| 68 |
เทียนตาตั๊กแตน |
- |
Anethum graveolens L. |
Apiaceae |
| 68 |
เทียนตาตั๊กแตน |
- |
Anethum graveolens L. |
Umbelliferae |
2D Structure
Compound Properties
Smile
CC1CCC(CC1=O)C(C)=C
Physicochemical Properties
| Formula |
C10H16O |
| Molecular wieght(g/mol) |
152.23 |
| Num. of Heavy atoms |
11 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.70 |
| Num. of Rotatable bonds |
1 |
| Num. of H-bond acceptors |
1 |
| Num. of H-bonds donors |
0 |
| Molar Refractivity |
47.80 |
| TPSA (square Angstrom) |
17.07 |
Lipophilicity
| iLOGP |
2.28 |
| XLOGP3 |
2.85 |
| WLOGP |
2.57 |
| MLOGP |
2.20 |
| Silicos-IT LOGP |
2.65 |
| Consensus LOGP |
2.51 |
Water Solubility
| ESOL |
|
| LogS |
-2.51 |
Solubility(mg/ml) |
4.67E-01 |
Solubility(mol/l) |
3.07E-03 |
Class |
Soluble |
| Ali |
|
| LogS |
-2.87 |
Solubility(mg/ml) |
2.07E-01 |
Solubility(mol/l) |
1.36E-03 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-2.18 |
Solubility(mg/ml) |
1.01E+00 |
Solubility(mol/l) |
6.64E-03 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| 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) |
-5.21 |
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 |
1 |
| Synthetic Accessibility |
2.75 |
