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Murcko scaffold

Ring system with 5 rings and 21 atoms

9 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
9
With full pages
3
Scaffold SMILES

C1=C2c3cc4c(cc3CCN2Cc2ccccc21)OCO4

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 scaffold
Murcko scaffold C1=C2c3cc4c(cc3CCN2Cc2ccccc21)OCO4

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 9 of 9 chemicals

Dihydroberberine chemical structure, C20H19NO4, CAS 483-15-8
Dihydroberberine
CAS 483-15-8C20H19NO4
Berberinol chemical structure, C20H19NO5, CAS 10134-52-8
Berberinol
CAS 10134-52-8C20H19NO5
8-Trichloromethyldihydroberberine chemical structure, C21H18Cl3NO4, CAS 50932-22-4
8-Trichloromethyldihydroberberine
CAS 50932-22-4C21H18Cl3NO4
8,8-Diethyl 9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline chemical structure, C24H27NO4, CAS 71266-78-9
8,8-Diethyl 9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
CAS 71266-78-9C24H27NO4
16,17-Dimethoxy-14-(trichloromethyl)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde chemical structure, C22H18Cl3NO5, CAS 75767-39-4
16,17-Dimethoxy-14-(trichloromethyl)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde
CAS 75767-39-4C22H18Cl3NO5
Acetoneberberine chemical structure, C23H23NO5, CAS 39024-13-0
Acetoneberberine
CAS 39024-13-0C23H23NO5
9,10-Dimethoxy-7,13-dimethyl-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium iodide chemical structure, C22H24INO4, CAS 69937-23-1
9,10-Dimethoxy-7,13-dimethyl-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium iodide
CAS 69937-23-1C22H24INO4
8,8-Diethyl-9,10-dimethoxy-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline--hydrogen iodide (1/1) chemical structure, C24H28INO4, CAS 71266-84-7
8,8-Diethyl-9,10-dimethoxy-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline--hydrogen iodide (1/1)
CAS 71266-84-7C24H28INO4
Dihydropseudoberberine chemical structure, C20H19NO4, CAS 1100757-76-3
Dihydropseudoberberine
CAS 1100757-76-3C20H19NO4