Gallic acid
IUPAC name: 3,4,5-trihydroxybenzoic acid
CAS Number: 149-91-7
Class: Phenolic compound
Mushrooms contain this compound
9 mushrooms
| MushID | Thai name | Common name | Scientific name | Family |
|---|---|---|---|---|
| 1 | เห็ดหลินจือ | Lingzhi | Ganoderma lucidum ( Curtis ) P. Karst. | Ganodermataceae |
| 22 | เห็ดตับเต่าขนมปังกะโหลก | Penny bun | Boletus edulis Bull. ex Fr. | Boletaceae |
| 5 | เห็ดนางรมขาว | Oyster mushroom | Pleurotus ostreatus (Jacq.ex.Fr) Kummer | Pleurotaceae |
| 9 | เห็ดหูหนู | Jew's ear | Auricularia auricular-judae (Hooker) Underw. | Auriculariaceae |
| 13 | เห็ดหอม | shiitake | Lentinus edodes (Berk.) Sing. | Marasmiaceae |
| 18 | เห็ดโคนปลวกจิก | - | Termitomyces clypeatus Heim. | Lyophyllaceae |
| 20 | เห็ดกระดุม | button mushroom | Agaricus bisporus | Agaricaceae |
| 26 | เห็ดข้าวตอก | - | Termitomyces microcarpus (Berk. & Br.) | Lyophyllaceae |
| 30 | เห็ดมันปู | Chanterelle | Cantharellus cibarius Fr. | Cantharellaceae |
3D Structure
2D Structure
Compound Properties
SMILES
OC(=O)c1cc(O)c(c(c1)O)OPhysicochemical Properties
| Formula | C7H6O5 |
| Molecular wieght(g/mol) | 170.12 |
| Num. of Heavy atoms | 12 |
| Num. of Aromatic Heavy atoms | 6 |
| Fraction Csp3 | 0.00 |
| Num. of Rotatable bonds | 1 |
| Num. of H-bond acceptors | 5 |
| Num. of H-bonds donors | 4 |
| Molar Refractivity | 39.47 |
| TPSA (square Angstrom) | 97.99 |
Lipophilicity
| iLOGP | 0.21 |
| XLOGP3 | 0.70 |
| WLOGP | 0.50 |
| MLOGP | -0.16 |
| Silicos-IT LOGP | -0.20 |
| Consensus LOGP | 0.21 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | -1.64 | Solubility(mg/ml) | 3.90E+00 | Solubility(mol/l) | 2.29E-02 | Class | Very soluble |
| Ali | |||||||
| LogS | -2.34 | Solubility(mg/ml) | 7.86E-01 | Solubility(mol/l) | 4.62E-03 | Class | Soluble |
| Silicos-IT | |||||||
| LogS | -0.04 | Solubility(mg/ml) | 1.55E+02 | Solubility(mol/l) | 9.10E-01 | Class | Soluble |
Pharmacokinetics
| GI absorbtion | High |
| BBB permeant | No |
| Pgp substrate | No |
| CYP1A2 inhibitor | No |
| CYP2C19 inhibitor | No |
| CYP2C9 inhibitor | No |
| CYP2D6 inhibitor | No |
| CYP3A4 inhibitor | Yes |
| Log Kp (skin permeation) (cm/s) | -6.84 |
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 | 1 |
| Brenk Num. of alerts | 1 |
| Leadlikeness Num. of violations | 1 |
| Synthetic Accessibility | 1.22 |
Biological Activity
| Biological Activity | JID |
|---|---|
| Antioxidant | 10 |
| Antioxidant | 17 |
| Immunostimulating | 21 |
| Antioxidant | 18 |