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Murcko scaffold

Ring system with 3 rings and 40 atoms

12 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
40
Chemicals
12
With full pages
1
Scaffold SMILES

O=C1C=C2CCC=CCCC(OC(=O)CNC(=O)C3CCCCC3)CC=CC=CC=CCCC(=O)NC(=C1)C2=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=C1C=C2CCC=CCCC(OC(=O)CNC(=O)C3CCCCC3)CC=CC=CC=CCCC(=O)NC(=C1)C2=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 12 of 12 chemicals

Ansatrienin A chemical structure, C36H48N2O8, CAS 80111-47-3
Ansatrienin A
CAS 80111-47-3C36H48N2O8
D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with ansatrienol A chemical structure, C36H48N2O8
D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with ansatrienol A
C36H48N2O8
D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with ansatrienol A chemical structure, C36H48N2O8, CAS 82189-03-5
D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with ansatrienol A
CAS 82189-03-5C36H48N2O8
[(6E,8E,10E,16Z)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate chemical structure, C36H48N2O8
[(6E,8E,10E,16Z)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
C36H48N2O8
(15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl) 2-(cyclohexanecarbonylamino)propanoate chemical structure, C36H48N2O8
(15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl) 2-(cyclohexanecarbonylamino)propanoate
C36H48N2O8
[(5R,6Z,8Z,10Z,13S,14R,15R,16Z)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate chemical structure, C36H48N2O8
[(5R,6Z,8Z,10Z,13S,14R,15R,16Z)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
C36H48N2O8
[(5R,6Z,8Z,10Z,13S,14S,15R,16Z)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate chemical structure, C36H48N2O8
[(5R,6Z,8Z,10Z,13S,14S,15R,16Z)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
C36H48N2O8
Hydroxymycotrienin A chemical structure, C35H46N2O8, CAS 178550-61-3
Hydroxymycotrienin A
CAS 178550-61-3C35H46N2O8
D-Alanine, N-(cyclohexylcarbonyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaen-13-yl ester chemical structure, C36H48N2O8
D-Alanine, N-(cyclohexylcarbonyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaen-13-yl ester
C36H48N2O8
[(6E,8E,10E,16E)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate chemical structure, C36H48N2O8
[(6E,8E,10E,16E)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
C36H48N2O8
Orb1693783 chemical structure, C36H48N2O8
Orb1693783
C36H48N2O8
[(5R,6E,8E,10E,13S,14R,15R)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate chemical structure, C36H48N2O8
[(5R,6E,8E,10E,13S,14R,15R)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
C36H48N2O8