Responsive image

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

Responsive image

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 Polar
Surface Area

0

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00024 Alpha-Linolenic Acid Responsive image Dietary Supplements; Micronutrients; Supplements; For nutritional supplementation and for treating dietary shortage or imbalance.
FDBD00045 Dihomo-gamma-linolenic acid Responsive image Dietary Supplements; Micronutrients; Supplements; For nutritional supplementation, also for treating dietary shortage or imbalance.
FDBD00049 Icosapent Responsive image 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 Responsive image 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_4_1295.mol2 3dzt 1 -6.83 CC/C=C\CC=C 7
3dzt_ligand_4_1350.mol2 3dzt 1 -6.76 C=CC/C=C\CC 7
1vyg_ligand_4_700.mol2 1vyg 1 -6.55 CC/C=C\CC=C 7
1vyg_ligand_4_220.mol2 1vyg 1 -6.37 C(=C)C/C=C\CC 7
3gwx_ligand_3_219.mol2 3gwx 1 -6.37 C(C)/C=C\CC=C 7
3gwx_ligand_4_165.mol2 3gwx 1 -6.30 C(=C\CC=C)\CC 7
114 , 12