Ascorbic acid
IUPAC name: 2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CAS Number: 62624-30-0
Class: Vitamin
Mushrooms contain this compound
12 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 |
| 20 | เห็ดกระดุม | button mushroom | Agaricus bisporus | Agaricaceae |
| 26 | เห็ดข้าวตอก | - | Termitomyces microcarpus (Berk. & Br.) | Lyophyllaceae |
| 28 | เห็ดขิง | peppery milk-cap | Lactarius piperatus (L.) Pers. | Russulaceae |
| 29 | เห็ดฟานน้ำตาลแดง | Frying milk cap | Lactarius volemus (Fr.) Fr. | Russulaceae |
| 30 | เห็ดมันปู | Chanterelle | Cantharellus cibarius Fr. | Cantharellaceae |
| 36 | เห็ดหน้าม่วง | Charcoal burner | Russula cyanoxantha (Schaeff.) Fr. | Russulaceae |
| 37 | เห็ดหล่มขาว | milk-white russula | Russula delica Fr. | Russulaceae |
| 39 | เห็ดระโงกแดงอมส้ม | Caesar'mushroom | Amanita caesarea (Fr.) Schw | Amanitaceae |
3D Structure
2D Structure
Compound Properties
SMILES
OC[C@H]([C@@H]1OC(=O)C(=C1O)O)OPhysicochemical Properties
| Formula | C6H8O6 |
| Molecular wieght(g/mol) | 176.12 |
| Num. of Heavy atoms | 12 |
| Num. of Aromatic Heavy atoms | 0 |
| Fraction Csp3 | 0.50 |
| Num. of Rotatable bonds | 2 |
| Num. of H-bond acceptors | 6 |
| Num. of H-bonds donors | 4 |
| Molar Refractivity | 35.12 |
| TPSA (square Angstrom) | 107.22 |
Lipophilicity
| iLOGP | 0.39 |
| XLOGP3 | -1.64 |
| WLOGP | -1.41 |
| MLOGP | -2.60 |
| Silicos-IT LOGP | -1.15 |
| Consensus LOGP | -1.28 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | 0.23 | Solubility(mg/ml) | 3.01E+02 | Solubility(mol/l) | 1.71E+00 | Class | Highly soluble |
| Ali | |||||||
| LogS | -0.10 | Solubility(mg/ml) | 1.40E+02 | Solubility(mol/l) | 7.93E-01 | Class | Very soluble |
| Silicos-IT | |||||||
| LogS | 1.49 | Solubility(mg/ml) | 5.46E+03 | Solubility(mol/l) | 3.10E+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 | No |
| Log Kp (skin permeation) (cm/s) | -8.54 |
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 | 0 |
| Leadlikeness Num. of violations | 1 |
| Synthetic Accessibility | 3.47 |
Biological Activity
| Biological Activity | JID |
|---|---|
| Antioxidant | 27 |
| Antioxidant | 18 |
| Antimicrobial | 57 |
| Antioxidant | 58 |