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Murcko scaffold

Ring system with 3 rings and 19 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
7
With full pages
2
Scaffold SMILES

O=C(OC1CC=CCC2CCCC21)c1ccccc1

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=C(OC1CC=CCC2CCCC21)c1ccccc1

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

(3R,3aS)-3-Hydroxy-6-(hydroxymethyl)-8a-methyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate chemical structure, C22H30O5, CAS 109517-73-9
(3R,3aS)-3-Hydroxy-6-(hydroxymethyl)-8a-methyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate
CAS 109517-73-9C22H30O5
Ferutinin chemical structure, C22H30O4, CAS 41743-44-6
Ferutinin
CAS 41743-44-6C22H30O4
[(3S,3aS,4S,8R,8aS)-3-Hydroxy-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate chemical structure, C27H36O6, CAS 105608-26-2
[(3S,3aS,4S,8R,8aS)-3-Hydroxy-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
CAS 105608-26-2C27H36O6
Ferutidin chemical structure, C23H32O4, CAS 53947-82-3
Ferutidin
CAS 53947-82-3C23H32O4
Teferin chemical structure, C23H32O5, CAS 54526-95-3
Teferin
CAS 54526-95-3C23H32O5
Akiferidin chemical structure, C22H30O5, CAS 70284-22-9
Akiferidin
CAS 70284-22-9C22H30O5
NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate chemical structure, C25H34O6, CAS 98604-75-2
NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate
CAS 98604-75-2C25H34O6