Common name
(4Z)-hepta-1,4-diene
IUPAC name
(4Z)-hepta-1,4-diene
SMILES
C(C)C=CCC=C
Common name
(4Z)-hepta-1,4-diene
IUPAC name
(4Z)-hepta-1,4-diene
SMILES
C(C)C=CCC=C
INCHI
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3/b7-6-
FORMULA
C7H12
Common name
(4Z)-hepta-1,4-diene
IUPAC name
(4Z)-hepta-1,4-diene
Molecular weight
96.170
clogP
2.035
clogS
-1.527
Frequency
0.0014
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
3
| 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 |
|---|---|---|---|---|---|
| 1fdq_ligand_3_285.mol2 | 1fdq | 1 | -5.83 | C(=C\CC)\CC=C | 7 |
| 3dzt_ligand_5_2947.mol2 | 3dzt | 0.916667 | -7.15 | CC/C=C\C/C=C\C | 8 |
| 3dzt_ligand_5_2982.mol2 | 3dzt | 0.916667 | -7.13 | C(=C\C/C=C\CC)\C | 8 |
| 1gnj_ligand_5_1266.mol2 | 1gnj | 0.916667 | -7.00 | C/C=C\C/C=C\CC | 8 |
| 1gnj_ligand_5_495.mol2 | 1gnj | 0.916667 | -6.90 | C(/C=C\C)/C=C\CC | 8 |
| 1vyg_ligand_5_1266.mol2 | 1vyg | 0.916667 | -6.83 | CC/C=C\C/C=C\C | 8 |
114 ,
12
