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Murcko scaffold

Ring system with 6 rings and 25 atoms

6 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
25
Chemicals
6
With full pages
1
Scaffold SMILES

c1c2c(cc3c1OCO3)C1OCc3c(ccc4c3OCO4)C1NCC2

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 c1c2c(cc3c1OCO3)C1OCc3c(ccc4c3OCO4)C1NCC2

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 6 of 6 chemicals

(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl(1,3)dioxolo(4,5-h)-1,3-dioxolo(7,8)(2)benzopyrano(3,4-a)(3)benzazepine chemical structure, C21H21NO6, CAS 2718-25-4
(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl(1,3)dioxolo(4,5-h)-1,3-dioxolo(7,8)(2)benzopyrano(3,4-a)(3)benzazepine
CAS 2718-25-4C21H21NO6
Isorhoeadine chemical structure, C21H21NO6, CAS 4046-21-3
Isorhoeadine
CAS 4046-21-3C21H21NO6
Rhoeagenine chemical structure, C20H19NO6, CAS 5574-77-6
Rhoeagenine
CAS 5574-77-6C20H19NO6
(+)-Papaverrubine E chemical structure, C20H19NO6, CAS 6807-95-0
(+)-Papaverrubine E
CAS 6807-95-0C20H19NO6
Ethylrhoeagenine chemical structure, C22H23NO6, CAS 2650-36-4
Ethylrhoeagenine
CAS 2650-36-4C22H23NO6
(5bR,13bS,15R)-5b,6,7,8,13b,15-Hexahydro-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepin-15-ol chemical structure, C20H19NO6, CAS 17948-35-5
(5bR,13bS,15R)-5b,6,7,8,13b,15-Hexahydro-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepin-15-ol
CAS 17948-35-5C20H19NO6