Common name
penta-1,4-diene
IUPAC name
penta-1,4-diene
SMILES
C=CCC=C
Common name
penta-1,4-diene
IUPAC name
penta-1,4-diene
SMILES
C=CCC=C
INCHI
InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2
FORMULA
C5H8
Common name
penta-1,4-diene
IUPAC name
penta-1,4-diene
Molecular weight
68.117
clogP
1.319
clogS
-1.027
Frequency
0.0014
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00024 | Alpha-Linolenic Acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation and for treating dietary shortage or imbalance. |
| FDBD00045 | Dihomo-gamma-linolenic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00049 | Icosapent |
|
Dietary Supplements; Micronutrients; Supplements; Omega-3 Fatty Acids; | EPA can be used for lowering elevated triglycerides in those who are hyperglyceridemic. In addition, EPA may play a therapeutic role in patients with cystic fibrosis by reducing disease severity and may play a similar role in type 2 diabetics in slowing the progression of diabetic nephropathy. |
| FDBD01556 | Icosapent ethyl |
|
Platelet Aggregation Inhibitors; Hypolipidemic Agents; Omega-3 Fatty Acids; | Icosapent ethyl is used as adjunct therapy to reduce triglyceride (TG) levels in adults with severe (>500 mg/dL) hypertriglyceridemia. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_2_90.mol2 | 3dzt | 1 | -6.25 | C=CCC=C | 5 |
| 1vyg_ligand_2_63.mol2 | 1vyg | 1 | -6.14 | C=CCC=C | 5 |
| 1vyg_ligand_2_50.mol2 | 1vyg | 1 | -6.09 | C=CCC=C | 5 |
| 3gwx_ligand_2_63.mol2 | 3gwx | 1 | -6.03 | C(=C)CC=C | 5 |
| 1vyg_ligand_2_33.mol2 | 1vyg | 1 | -6.00 | C(=C)CC=C | 5 |
| 4lkt_ligand_3_329.mol2 | 4lkt | 1 | -5.95 | C(=C)CC=C | 5 |
| 3gwx_ligand_2_56.mol2 | 3gwx | 1 | -5.88 | C(=C)CC=C | 5 |
| 3gwx_ligand_2_30.mol2 | 3gwx | 1 | -5.85 | C=CCC=C | 5 |
121 ,
13
