Myricetin
IUPAC name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-Benzopyran-4-one
CAS Number: 529-44-2
Class: Phenolic compound
Mushrooms contain this compound
15 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 |
| 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 |
| 21 | เห็ดตีนแรด(ตับเต่าขาว) | - | Tricholoma crassum(Berk.)Sacc. | Tricholomataceae |
| 25 | เห็ดขอนขาว | - | Lentinus squarrosulus Mont. | Polyporaceae |
| 26 | เห็ดข้าวตอก | - | Termitomyces microcarpus (Berk. & Br.) | Lyophyllaceae |
| 30 | เห็ดมันปู | Chanterelle | Cantharellus cibarius Fr. | Cantharellaceae |
| 32 | เห็ดระโงกเหลือง | half-dyed slender Caesar | Amanita hemibapha (Berk. & Br.) Sacc. Subsp. Javanica Cor. & Bas. | Amanitaceae |
| 34 | เห็ดลม | flower mushrooms | Lentinus polychrous Lév. | Polyporaceae |
| 37 | เห็ดหล่มขาว | milk-white russula | Russula delica Fr. | Russulaceae |
| 40 | เห็ดถ่านเล็ก | crowded russula | Russula densifolia Secr. ex Gillet | Russulaceae |
| 45 | เห็ดระโงกขาว | - | Amanita princeps Corner & Bas. | Amanitaceae |
3D Structure
2D Structure
Compound Properties
SMILES
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)OPhysicochemical Properties
| Formula | C15H10O8 |
| Molecular wieght(g/mol) | 318.24 |
| Num. of Heavy atoms | 23 |
| Num. of Aromatic Heavy atoms | 16 |
| Fraction Csp3 | 0.00 |
| Num. of Rotatable bonds | 1 |
| Num. of H-bond acceptors | 8 |
| Num. of H-bonds donors | 6 |
| Molar Refractivity | 80.06 |
| TPSA (square Angstrom) | 151.59 |
Lipophilicity
| iLOGP | 1.08 |
| XLOGP3 | 1.18 |
| WLOGP | 1.69 |
| MLOGP | -1.08 |
| Silicos-IT LOGP | 1.06 |
| Consensus LOGP | 0.79 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | -3.01 | Solubility(mg/ml) | 3.14E-01 | Solubility(mol/l) | 9.88E-04 | Class | Soluble |
| Ali | |||||||
| LogS | -3.96 | Solubility(mg/ml) | 3.50E-02 | Solubility(mol/l) | 1.10E-04 | Class | Soluble |
| Silicos-IT | |||||||
| LogS | -2.66 | Solubility(mg/ml) | 6.98E-01 | Solubility(mol/l) | 2.19E-03 | Class | Soluble |
Pharmacokinetics
| GI absorbtion | Low |
| BBB permeant | No |
| Pgp substrate | No |
| CYP1A2 inhibitor | Yes |
| CYP2C19 inhibitor | No |
| CYP2C9 inhibitor | No |
| CYP2D6 inhibitor | No |
| CYP3A4 inhibitor | Yes |
| Log Kp (skin permeation) (cm/s) | -7.40 |
Druglikeness
| Lipinski Num. violations | 1 |
| Ghose Num. violations | 0 |
| Veber Num. violations | 1 |
| Egan Num. violations | 1 |
| Muegge Num. violations | 2 |
| Bioavailability Score | 0.55 |
Medicinal Chemistry
| PAINS Num. of alerts | 1 |
| Brenk Num. of alerts | 1 |
| Leadlikeness Num. of violations | 0 |
| Synthetic Accessibility | 3.27 |
Biological Activity
| Biological Activity | JID |
|---|---|
| Antioxidant | 17 |
| Immunostimulating | 21 |
| Antioxidant | 18 |
| Antioxidant | 19 |