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Murcko scaffold

Ring system with 3 rings and 27 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
27
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1CCC(CCCCCCCCCCCC2CCC(C3CCCO3)O2)O1

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=C1CCC(CCCCCCCCCCCC2CCC(C3CCCO3)O2)O1

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

Rollinone chemical structure, C37H66O7, CAS 92594-03-1
Rollinone
CAS 92594-03-1C37H66O7
Bullatacinone chemical structure, C37H66O7, CAS 123012-00-0
Bullatacinone
CAS 123012-00-0C37H66O7
(3R,5R)-5-[(11R)-11-Hydroxy-11-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one chemical structure, C37H66O7, CAS 189686-30-4
(3R,5R)-5-[(11R)-11-Hydroxy-11-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
CAS 189686-30-4C37H66O7
(5S)-5-[(5R,11R)-5,11-Dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one chemical structure, C37H66O8, CAS 255900-36-8
(5S)-5-[(5R,11R)-5,11-Dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
CAS 255900-36-8C37H66O8