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Murcko scaffold

Ring system with 5 rings and 25 atoms

4 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
25
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1CC2CCCC2C2CC=C3CC(OC4CCCCO4)CCC3C12

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=C1CC2CCCC2C2CC=C3CC(OC4CCCCO4)CCC3C12

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 4 of 4 chemicals

Bryonioside F chemical structure, C36H58O9, CAS 405281-93-8
Bryonioside F
CAS 405281-93-8C36H58O9
2,3,16,20,25-Pentahydroxycucurbita-5-ene-11,22-dio chemical structure, C36H58O12, CAS 129393-23-3
2,3,16,20,25-Pentahydroxycucurbita-5-ene-11,22-dio
CAS 129393-23-3C36H58O12
Cabenoside D chemical structure, C36H60O9, CAS 88901-40-0
Cabenoside D
CAS 88901-40-0C36H60O9
6a[(1R,2R,3aS,3bS,7S,9aR,9bR,11aR)a2aHydroxya 3a,6,6,9b,11aapentamethyla10aoxoa7a {[(2R,3R,4S,5S,6R)a3,4,5atrihydroxya6a (hydroxymethyl)oxana2ayl]oxy}a 1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aHa cyclopenta[a]phenanthrena1ayl]a5,6adihydroxya2a methylheptana2ayl acetate chemical structure, C38H62O12, CAS 178062-95-8
6a[(1R,2R,3aS,3bS,7S,9aR,9bR,11aR)a2aHydroxya 3a,6,6,9b,11aapentamethyla10aoxoa7a {[(2R,3R,4S,5S,6R)a3,4,5atrihydroxya6a (hydroxymethyl)oxana2ayl]oxy}a 1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aHa cyclopenta[a]phenanthrena1ayl]a5,6adihydroxya2a methylheptana2ayl acetate
CAS 178062-95-8C38H62O12