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Murcko scaffold

1,4-Cyclohex-2-enedione scaffold

27 chemicals on CompoundList share this ring system.

Rings
1
Scaffold atoms
8
Chemicals
27
With full pages
3
Scaffold SMILES

O=C1C=CC(=O)CC1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the 1,4-Cyclohex-2-enedione page
Murcko scaffold O=C1C=CC(=O)CC1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 27 of 27 chemicals

2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione chemical structure, C9H12O3, CAS 35692-98-9
2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
CAS 35692-98-9C9H12O3
2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione chemical structure, C10H14O3, CAS 41654-27-7
2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
CAS 41654-27-7C10H14O3
Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- chemical structure, C8H8O4S, CAS 63905-80-6
Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-
CAS 63905-80-6C8H8O4S
Ketoisophorone chemical structure, C9H12O2, CAS 1125-21-9
Ketoisophorone
CAS 1125-21-9C9H12O2
1,4-Cyclohex-2-enedione chemical structure, C6H6O2, CAS 4505-38-8
1,4-Cyclohex-2-enedione
CAS 4505-38-8C6H6O2
2,3,5,5,6,6-Hexachlorocyclohex-2-ene-1,4-dione chemical structure, C6Cl6O2, CAS 14504-09-7
2,3,5,5,6,6-Hexachlorocyclohex-2-ene-1,4-dione
CAS 14504-09-7C6Cl6O2
5,6-Dibromocyclohex-2-ene-1,4-dione chemical structure, C6H4Br2O2, CAS 5273-61-0
5,6-Dibromocyclohex-2-ene-1,4-dione
CAS 5273-61-0C6H4Br2O2
2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione chemical structure, C14H20Cl2O2, CAS 33611-72-2
2,5-Ditert-butyl-5,6-dichloro-2-cyclohexene-1,4-dione
CAS 33611-72-2C14H20Cl2O2
2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione chemical structure, C13H18O2, CAS 60404-96-8
2,3,5-Trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
CAS 60404-96-8C13H18O2
5,6-Dichlorocyclohex-2-ene-1,4-dione chemical structure, C6H4Cl2O2, CAS 5273-62-1
5,6-Dichlorocyclohex-2-ene-1,4-dione
CAS 5273-62-1C6H4Cl2O2
2,3-Dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione chemical structure, C14H20O4, CAS 5216-26-2
2,3-Dimethoxy-5-methyl-5-(3-methylbut-2-enyl)cyclohex-2-ene-1,4-dione
CAS 5216-26-2C14H20O4
2-Cyclohexene-1,4-dione, 2-methyl- chemical structure, C7H8O2, CAS 113436-11-6
2-Cyclohexene-1,4-dione, 2-methyl-
CAS 113436-11-6C7H8O2
2-Methoxy-6-methylcyclohex-2-ene-1,4-dione chemical structure, C8H10O3, CAS 152949-42-3
2-Methoxy-6-methylcyclohex-2-ene-1,4-dione
CAS 152949-42-3C8H10O3
Gliorosein chemical structure, C10H14O4, CAS 4373-40-4
Gliorosein
CAS 4373-40-4C10H14O4
2,5,5-Trimethyl-2-cyclohexene-1,4-dione chemical structure, C9H12O2, CAS 38770-37-5
2,5,5-Trimethyl-2-cyclohexene-1,4-dione
CAS 38770-37-5C9H12O2
2,3,5,5,6,6-Hexahydroxycyclohex-2-ene-1,4-dione chemical structure, C6H6O8, CAS 63183-44-8
2,3,5,5,6,6-Hexahydroxycyclohex-2-ene-1,4-dione
CAS 63183-44-8C6H6O8
2-Cyclohexene-1,4-dione, 2-hydroxy- chemical structure, C6H6O3, CAS 339319-34-5
2-Cyclohexene-1,4-dione, 2-hydroxy-
CAS 339319-34-5C6H6O3
5-Methyl-2-cyclohexene-1,4-dione chemical structure, C7H8O2, CAS 21428-34-2
5-Methyl-2-cyclohexene-1,4-dione
CAS 21428-34-2C7H8O2
Methyl 3,6-dioxocyclohex-1-ene-1-carboxylate chemical structure, C8H8O4, CAS 88888-66-8
Methyl 3,6-dioxocyclohex-1-ene-1-carboxylate
CAS 88888-66-8C8H8O4
5,5-Dichloro-6,6-dihydroxycyclohex-2-ene-1,4-dione chemical structure, C6H4Cl2O4, CAS 91948-46-8
5,5-Dichloro-6,6-dihydroxycyclohex-2-ene-1,4-dione
CAS 91948-46-8C6H4Cl2O4
5-(3-Hydroxy-3-methylbutyl)-2,3,6-trimethylcyclohex-2-ene-1,4-dione chemical structure, C14H22O3, CAS 95399-76-1
5-(3-Hydroxy-3-methylbutyl)-2,3,6-trimethylcyclohex-2-ene-1,4-dione
CAS 95399-76-1C14H22O3
5,6-Dihydroxy-2,3,5,6-tetramethylcyclohex-2-ene-1,4-dione chemical structure, C10H14O4, CAS 139553-27-8
5,6-Dihydroxy-2,3,5,6-tetramethylcyclohex-2-ene-1,4-dione
CAS 139553-27-8C10H14O4
2,5,6-Tri-tert-butylcyclohex-2-ene-1,4-dione chemical structure, C18H30O2, CAS 20784-82-1
2,5,6-Tri-tert-butylcyclohex-2-ene-1,4-dione
CAS 20784-82-1C18H30O2
2,5,6-Tri-tert-butyl-5-hydroxycyclohex-2-ene-1,4-dione chemical structure, C18H30O3, CAS 61077-28-9
2,5,6-Tri-tert-butyl-5-hydroxycyclohex-2-ene-1,4-dione
CAS 61077-28-9C18H30O3