Malic acid
IUPAC name: 2-hydroxybutanedioic acid
CAS Number: 6915-15-7
Class: Dicarboxylic acid
Mushrooms contain this compound
4 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 |
| 6 |
เห็ดนางฟ้า |
Lung Oyster |
Pleurotus sajor-caju (Fr.) Sing |
Pleurotaceae |
| 36 |
เห็ดหน้าม่วง |
Charcoal burner |
Russula cyanoxantha (Schaeff.) Fr. |
Russulaceae |
2D Structure
Compound Properties
SMILES
OC(=O)CC(C(=O)O)O
Physicochemical Properties
| Formula |
C4H6O5 |
| Molecular wieght(g/mol) |
134.09 |
| Num. of Heavy atoms |
9 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.50 |
| Num. of Rotatable bonds |
3 |
| Num. of H-bond acceptors |
5 |
| Num. of H-bonds donors |
3 |
| Molar Refractivity |
26.05 |
| TPSA (square Angstrom) |
94.83 |
Lipophilicity
| iLOGP |
-0.01 |
| XLOGP3 |
-1.26 |
| WLOGP |
-1.09 |
| MLOGP |
-1.37 |
| Silicos-IT LOGP |
-1.25 |
| Consensus LOGP |
-1.00 |
Water Solubility
| ESOL |
|
| LogS |
0.32 |
Solubility(mg/ml) |
2.80E+02 |
Solubility(mol/l) |
2.09E+00 |
Class |
Highly soluble |
| Ali |
|
| LogS |
-0.24 |
Solubility(mg/ml) |
7.80E+01 |
Solubility(mol/l) |
5.82E-01 |
Class |
Very soluble |
| Silicos-IT |
|
| LogS |
1.53 |
Solubility(mg/ml) |
4.51E+03 |
Solubility(mol/l) |
3.37E+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) |
-8.01 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
4 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
2 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
2.27 |
Biological Activity
| Biological Activity |
JID |
| Antioxidant |
10 |
| Antioxidant |
28 |
| Antiviral |
28 |
