p-Coumaric acid
IUPAC name: 3-(4-hydroxyphenyl)-2-Propenoic acid
CAS Number: 7400-08-0
Class: Phenolic compound
Mushrooms contain this compound
7 mushrooms
| MushID | Thai name | Common name | Scientific name | Family |
|---|---|---|---|---|
| 22 | เห็ดตับเต่าขนมปังกะโหลก | Penny bun | Boletus edulis Bull. ex Fr. | Boletaceae |
| 5 | เห็ดนางรมขาว | Oyster mushroom | Pleurotus ostreatus (Jacq.ex.Fr) Kummer | Pleurotaceae |
| 6 | เห็ดนางฟ้า | Lung Oyster | Pleurotus sajor-caju (Fr.) Sing | Pleurotaceae |
| 18 | เห็ดโคนปลวกจิก | - | Termitomyces clypeatus Heim. | Lyophyllaceae |
| 20 | เห็ดกระดุม | button mushroom | Agaricus bisporus | Agaricaceae |
| 25 | เห็ดขอนขาว | - | Lentinus squarrosulus Mont. | Polyporaceae |
| 26 | เห็ดข้าวตอก | - | Termitomyces microcarpus (Berk. & Br.) | Lyophyllaceae |
3D Structure
2D Structure
Compound Properties
SMILES
OC(=O)/C=C/c1ccc(cc1)OPhysicochemical Properties
| Formula | C9H8O3 |
| Molecular wieght(g/mol) | 164.16 |
| Num. of Heavy atoms | 12 |
| Num. of Aromatic Heavy atoms | 6 |
| Fraction Csp3 | 0.00 |
| Num. of Rotatable bonds | 2 |
| Num. of H-bond acceptors | 3 |
| Num. of H-bonds donors | 2 |
| Molar Refractivity | 45.13 |
| TPSA (square Angstrom) | 57.53 |
Lipophilicity
| iLOGP | 0.95 |
| XLOGP3 | 1.46 |
| WLOGP | 1.38 |
| MLOGP | 1.28 |
| Silicos-IT LOGP | 1.22 |
| Consensus LOGP | 1.26 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | -2.02 | Solubility(mg/ml) | 1.58E+00 | Solubility(mol/l) | 9.65E-03 | Class | Soluble |
| Ali | |||||||
| LogS | -2.27 | Solubility(mg/ml) | 8.73E-01 | Solubility(mol/l) | 5.32E-03 | Class | Soluble |
| Silicos-IT | |||||||
| LogS | -1.28 | Solubility(mg/ml) | 8.67E+00 | Solubility(mol/l) | 5.28E-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) | -6.26 |
Druglikeness
| Lipinski Num. violations | 0 |
| Ghose Num. violations | 0 |
| 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 | 1.61 |
Biological Activity
| Biological Activity | JID |
|---|---|
| Antioxidant | 17 |
| Antibacterial | 53 |
| Anti-inflammatory | 53 |
| Antitumour | 53 |
| Antioxidant | 18 |