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Murcko scaffold

Ring system with 4 rings and 25 atoms

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
7
With full pages
0
Scaffold SMILES

O=C1CC2C(=O)CC(C3CCC(=O)O3)N3CCCCC(CC2O1)C3=O

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=C1CC2C(=O)CC(C3CCC(=O)O3)N3CCCCC(CC2O1)C3=O

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

Tuberostemonone chemical structure, C22H31NO6, CAS 134822-46-1
Tuberostemonone
CAS 134822-46-1C22H31NO6
Neotuberostemone chemical structure, C22H31NO6, CAS 954379-68-1
Neotuberostemone
CAS 954379-68-1C22H31NO6
(1R,2R,3S,6R,7S,10S)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione chemical structure, C22H31NO6
(1R,2R,3S,6R,7S,10S)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione
C22H31NO6
(1S,2R,3R,6R,7R,10S)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione chemical structure, C22H31NO6
(1S,2R,3R,6R,7R,10S)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione
C22H31NO6
Neotuberostemonone chemical structure, C22H31NO6
Neotuberostemonone
C22H31NO6
(1R,2R,3R,6R,7R,10S)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione chemical structure, C22H31NO6
(1R,2R,3R,6R,7R,10S)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione
C22H31NO6
(1S,2R,3R,6R,7R)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione chemical structure, C22H31NO6
(1S,2R,3R,6R,7R)-2-Ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione
C22H31NO6