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Murcko scaffold

Ring system with 5 rings and 22 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
22
Chemicals
7
With full pages
3
Scaffold SMILES

O=C1c2ccccc2C(=O)c2cc3c(cc21)OC1OCCC31

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)OC1OCCC31

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 7 of 7 chemicals

Versicolorin B chemical structure, C18H12O7, CAS 4331-22-0
Versicolorin B
CAS 4331-22-0C18H12O7
(2R,3aR,12aS)-2,3,3a,12a-Tetrahydro-2,3a,4,6,9-pentahydroxyanthra(2,3-b)furo(3,2-d)furan-5,10-dione chemical structure, C18H12O9, CAS 31456-72-1
(2R,3aR,12aS)-2,3,3a,12a-Tetrahydro-2,3a,4,6,9-pentahydroxyanthra(2,3-b)furo(3,2-d)furan-5,10-dione
CAS 31456-72-1C18H12O9
Versicolorin A hemiacetal chemical structure, C18H12O8, CAS 63324-95-8
Versicolorin A hemiacetal
CAS 63324-95-8C18H12O8
6,8-O-Dimethylversicolorin B chemical structure, C20H16O7, CAS 62057-57-2
6,8-O-Dimethylversicolorin B
CAS 62057-57-2C20H16O7
Aversin chemical structure, C20H16O7, CAS 34080-91-6
Aversin
CAS 34080-91-6C20H16O7
O-Methylaversin chemical structure, C21H18O7, CAS 16049-51-7
O-Methylaversin
CAS 16049-51-7C21H18O7
1'-Hydroxyversicolorin B chemical structure, C18H12O8, CAS 1443750-59-1
1'-Hydroxyversicolorin B
CAS 1443750-59-1C18H12O8