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Murcko scaffold

Ring system with 5 rings and 21 atoms

41 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
41
With full pages
11
Scaffold SMILES

c1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2

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 c1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2

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 41 of 41 chemicals

Berberine chemical structure, C20H18NO4+, CAS 2086-83-1
Berberine
CAS 2086-83-1C20H18NO4+
Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide chemical structure, C20H19NO5, CAS 117-74-8
Benzog-1,3-benzodioxolo5,6-aquinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide
CAS 117-74-8C20H19NO5
Berberine sulfate anhydrous chemical structure, C40H36N2O12S, CAS 6190-33-6
Berberine sulfate anhydrous
CAS 6190-33-6C40H36N2O12S
Berberine chloride chemical structure, C20H18ClNO4, CAS 633-65-8
Berberine chloride
CAS 633-65-8C20H18ClNO4
Berberine bisulfate chemical structure, C20H19NO8S, CAS 633-66-9
Berberine bisulfate
CAS 633-66-9C20H19NO8S
Berberine iodide chemical structure, C20H18INO4, CAS 4263-84-7
Berberine iodide
CAS 4263-84-7C20H18INO4
5,6-Dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride chemical structure, C19H16ClNO4, CAS 15401-69-1
5,6-Dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride
CAS 15401-69-1C19H16ClNO4
Berberrubine chemical structure, C19H16NO4+, CAS 17388-19-1
Berberrubine
CAS 17388-19-1C19H16NO4+
13-Methylberberine chemical structure, C21H20NO4+, CAS 38691-92-8
13-Methylberberine
CAS 38691-92-8C21H20NO4+
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10,13-trimethoxy- chemical structure, C21H20NO5+, CAS 38691-93-9
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10,13-trimethoxy-
CAS 38691-93-9C21H20NO5+
13-Methylberberine chloride chemical structure, C21H20ClNO4, CAS 54260-72-9
13-Methylberberine chloride
CAS 54260-72-9C21H20ClNO4
5,6-Dihydro-10,11-dimethoxy-13-methylbenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium iodide chemical structure, C21H20INO4, CAS 69776-36-9
5,6-Dihydro-10,11-dimethoxy-13-methylbenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium iodide
CAS 69776-36-9C21H20INO4
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate chemical structure, C20H26ClNO8, CAS 68005-98-1
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate
CAS 68005-98-1C20H26ClNO8
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, monohydrate chemical structure, C20H20ClNO5, CAS 68030-18-2
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, monohydrate
CAS 68030-18-2C20H20ClNO5
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, trihydrate chemical structure, C20H24ClNO7, CAS 70399-14-3
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, trihydrate
CAS 70399-14-3C20H24ClNO7
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 8-chloro-5,6-dihydro-9,10-dimethoxy- chemical structure, C20H17ClNO4+, CAS 71266-69-8
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 8-chloro-5,6-dihydro-9,10-dimethoxy-
CAS 71266-69-8C20H17ClNO4+
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, (OC-6-11)-diamminetetrakis(thiocyanato-N)chromate(1-) chemical structure, C24H24CrN7O4S4, CAS 85537-01-5
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, (OC-6-11)-diamminetetrakis(thiocyanato-N)chromate(1-)
CAS 85537-01-5C24H24CrN7O4S4
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-10,11-dimethoxy- chemical structure, C20H18NO4+, CAS 19716-72-4
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-10,11-dimethoxy-
CAS 19716-72-4C20H18NO4+
Berberine chloride dihydrate chemical structure, C20H22ClNO6, CAS 5956-60-5
Berberine chloride dihydrate
CAS 5956-60-5C20H22ClNO6
13-Methylberberrubine chemical structure, C20H18NO4+, CAS 53912-30-4
13-Methylberberrubine
CAS 53912-30-4C20H18NO4+
Berberastine chemical structure, C20H18NO5+, CAS 2435-73-6
Berberastine
CAS 2435-73-6C20H18NO5+
1-Methoxyberberium chemical structure, C21H20ClNO5, CAS 29133-52-6
1-Methoxyberberium
CAS 29133-52-6C21H20ClNO5
5,6-Dihydro-9,10-dimethoxy-13-methylbenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium iodide chemical structure, C21H20INO4, CAS 2220-12-4
5,6-Dihydro-9,10-dimethoxy-13-methylbenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium iodide
CAS 2220-12-4C21H20INO4
Thalifendine chemical structure, C19H16NO4+, CAS 18207-71-1
Thalifendine
CAS 18207-71-1C19H16NO4+