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Murcko scaffold

Ring system with 5 rings and 30 atoms

3 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
3
With full pages
1
Scaffold SMILES

O=C1C=CC2C(=C1)CCC1C2CCC2C(C(=O)COC(=O)C3CC=CCC3)CCC21

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 O=C1C=CC2C(=C1)CCC1C2CCC2C(C(=O)COC(=O)C3CC=CCC3)CCC21

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 3 of 3 chemicals

Pregna-1,4-diene-3,20-dione, 21-(((6-carboxy-3-cyclohexen-1-yl)carbonyl)oxy)-11,17-dihydroxy-, (11beta)- chemical structure, C29H36O8, CAS 3331-71-3
Pregna-1,4-diene-3,20-dione, 21-(((6-carboxy-3-cyclohexen-1-yl)carbonyl)oxy)-11,17-dihydroxy-, (11beta)-
CAS 3331-71-3C29H36O8
Prednisolone sodium tetrahydrophtalate chemical structure, C29H35NaO8, CAS 10059-14-0
Prednisolone sodium tetrahydrophtalate
CAS 10059-14-0C29H35NaO8
(11I(2),16I+/-)-21-[[[(1R,6S)-6-Carboxy-3-cyclohexen-1-yl]carbonyl]oxy]-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione chemical structure, C30H37FO8, CAS 7636-86-4
(11I(2),16I+/-)-21-[[[(1R,6S)-6-Carboxy-3-cyclohexen-1-yl]carbonyl]oxy]-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
CAS 7636-86-4C30H37FO8