(-)-Epicatechin
IUPAC name: (2,3)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2-chromene-3,5,7-triol
CAS Number: 490-46-0
Class: Flavonoid
Mushrooms contain this compound
14 mushrooms
| MushID | Thai name | Common name | Scientific name | Family |
|---|---|---|---|---|
| 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 |
| 21 | เห็ดตีนแรด(ตับเต่าขาว) | - | Tricholoma crassum(Berk.)Sacc. | Tricholomataceae |
| 23 | เห็ดน้ำแป้ง | White-green netted red mushroom | Russula alboareolata Hongo | Russulaceae |
| 25 | เห็ดขอนขาว | - | Lentinus squarrosulus Mont. | Polyporaceae |
| 29 | เห็ดฟานน้ำตาลแดง | Frying milk cap | Lactarius volemus (Fr.) Fr. | Russulaceae |
| 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 |
| 36 | เห็ดหน้าม่วง | Charcoal burner | Russula cyanoxantha (Schaeff.) Fr. | Russulaceae |
| 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
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)OPhysicochemical Properties
| Formula | C15H14O6 |
| Molecular wieght(g/mol) | 290.27 |
| Num. of Heavy atoms | 21 |
| Num. of Aromatic Heavy atoms | 12 |
| Fraction Csp3 | 0.20 |
| Num. of Rotatable bonds | 1 |
| Num. of H-bond acceptors | 6 |
| Num. of H-bonds donors | 5 |
| Molar Refractivity | 74.33 |
| TPSA (square Angstrom) | 110.38 |
Lipophilicity
| iLOGP | 1.47 |
| XLOGP3 | 0.36 |
| WLOGP | 1.22 |
| MLOGP | 0.24 |
| Silicos-IT LOGP | 0.98 |
| Consensus LOGP | 0.85 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | -2.22 | Solubility(mg/ml) | 1.74E+00 | Solubility(mol/l) | 5.98E-03 | Class | Soluble |
| Ali | |||||||
| LogS | -2.24 | Solubility(mg/ml) | 1.66E+00 | Solubility(mol/l) | 5.72E-03 | Class | Soluble |
| Silicos-IT | |||||||
| LogS | -2.14 | Solubility(mg/ml) | 2.09E+00 | Solubility(mol/l) | 7.19E-03 | Class | Soluble |
Pharmacokinetics
| GI absorbtion | High |
| BBB permeant | No |
| Pgp substrate | Yes |
| CYP1A2 inhibitor | No |
| CYP2C19 inhibitor | No |
| CYP2C9 inhibitor | No |
| CYP2D6 inhibitor | No |
| CYP3A4 inhibitor | No |
| Log Kp (skin permeation) (cm/s) | -7.82 |
Druglikeness
| Lipinski Num. violations | 0 |
| Ghose Num. violations | 0 |
| Veber Num. violations | 0 |
| Egan Num. violations | 0 |
| Muegge Num. violations | 0 |
| Bioavailability Score | 0.55 |
Medicinal Chemistry
| PAINS Num. of alerts | 1 |
| Brenk Num. of alerts | 1 |
| Leadlikeness Num. of violations | 0 |
| Synthetic Accessibility | 3.50 |
Biological Activity
| Biological Activity | JID |
|---|---|
| Antioxidant | 19 |
Reference
| JID | Reference |
|---|---|
| 19 | https://doi.org/10.1007/s10068-017-0237-5 |