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Murcko scaffold

Ring system with 5 rings and 28 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
8
With full pages
6
Scaffold SMILES

O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)CCC3OC1CCCCO1

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=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)CCC3OC1CCCCO1

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 8 of 8 chemicals

Steffimycin B chemical structure, C29H32O13, CAS 54526-94-2
Steffimycin B
CAS 54526-94-2C29H32O13
2,5,7-Trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione chemical structure, C29H32O13
2,5,7-Trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
C29H32O13
Nocardicyclin A chemical structure, C30H35NO11, CAS 199173-81-4
Nocardicyclin A
CAS 199173-81-4C30H35NO11
1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl- chemical structure, C29H32O13
1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-
C29H32O13
Nocardicyclin B chemical structure, C32H37NO12, CAS 199173-82-5
Nocardicyclin B
CAS 199173-82-5C32H37NO12
Aranciamycin chemical structure, C27H28O12, CAS 72389-06-1
Aranciamycin
CAS 72389-06-1C27H28O12
Steffimycin chemical structure, C28H30O13, CAS 11033-34-4
Steffimycin
CAS 11033-34-4C28H30O13
4-[(3S,4S,5S,6R)-4,5-Dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione chemical structure, C28H30O13, CAS 67314-26-5
4-[(3S,4S,5S,6R)-4,5-Dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
CAS 67314-26-5C28H30O13