Cinnamic acid
IUPAC name: (E)-3-phenylprop-2-enoic acid
CAS Number: 140-10-3
Class: Organic acid
Mushrooms contain this compound
7 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 5 |
เห็ดนางรมขาว |
Oyster mushroom |
Pleurotus ostreatus (Jacq.ex.Fr) Kummer |
Pleurotaceae |
| 6 |
เห็ดนางฟ้า |
Lung Oyster |
Pleurotus sajor-caju (Fr.) Sing |
Pleurotaceae |
| 6 |
เห็ดนางฟ้า |
Lung Oyster |
Pleurotus sajor-caju (Fr.) Sing |
Pleurotaceae |
| 9 |
เห็ดหูหนู |
Jew's ear |
Auricularia auricular-judae (Hooker) Underw. |
Auriculariaceae |
| 13 |
เห็ดหอม |
shiitake |
Lentinus edodes (Berk.) Sing. |
Marasmiaceae |
| 20 |
เห็ดกระดุม |
button mushroom |
Agaricus bisporus |
Agaricaceae |
| 25 |
เห็ดขอนขาว |
- |
Lentinus squarrosulus Mont. |
Polyporaceae |
2D Structure
Compound Properties
SMILES
OC(=O)/C=C/c1ccccc1
Physicochemical Properties
| Formula |
C9H8O2 |
| Molecular wieght(g/mol) |
148.16 |
| Num. of Heavy atoms |
11 |
| Num. of Aromatic Heavy atoms |
6 |
| Fraction Csp3 |
0.00 |
| Num. of Rotatable bonds |
2 |
| Num. of H-bond acceptors |
2 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
43.11 |
| TPSA (square Angstrom) |
37.30 |
Lipophilicity
| iLOGP |
1.55 |
| XLOGP3 |
2.13 |
| WLOGP |
1.68 |
| MLOGP |
1.90 |
| Silicos-IT LOGP |
1.70 |
| Consensus LOGP |
1.79 |
Water Solubility
| ESOL |
|
| LogS |
-2.37 |
Solubility(mg/ml) |
6.29E-01 |
Solubility(mol/l) |
4.25E-03 |
Class |
Soluble |
| Ali |
|
| LogS |
-2.54 |
Solubility(mg/ml) |
4.23E-01 |
Solubility(mol/l) |
2.85E-03 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-1.84 |
Solubility(mg/ml) |
2.14E+00 |
Solubility(mol/l) |
1.45E-02 |
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) |
-5.69 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
2 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
1.67 |
Biological Activity
| Biological Activity |
JID |
| Antibacterial |
53 |
| Antimicrobial |
53 |
| Anti-inflammatory |
53 |
| Antitumour |
53 |
