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Murcko scaffold

Ring system with 3 rings and 19 atoms

81 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
81
With full pages
15
Scaffold SMILES

O=C1CCCC(CCC2CC=CC3=CCCCC32)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=C1CCCC(CCC2CC=CC3=CCCCC32)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 48 of 81 chemicals

ML-236B chemical structure, C23H34O5, CAS 84173-29-5
ML-236B
CAS 84173-29-5C23H34O5
8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate chemical structure, C24H36O5, CAS 79952-43-5
8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
CAS 79952-43-5C24H36O5
Lovastatin chemical structure, C24H36O5, CAS 75330-75-5
Lovastatin
CAS 75330-75-5C24H36O5
Simvastatin chemical structure, C25H38O5, CAS 79902-63-9
Simvastatin
CAS 79902-63-9C25H38O5
Mevastatin chemical structure, C23H34O5, CAS 73573-88-3
Mevastatin
CAS 73573-88-3C23H34O5
Advicor chemical structure, C30H41NO7, CAS 365453-26-5
Advicor
CAS 365453-26-5C30H41NO7
(1S,3S,7R,8R,8aS)-8-{2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-ethyl-2-methylbutanoate chemical structure, C26H40O5, CAS 79902-60-6
(1S,3S,7R,8R,8aS)-8-{2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-ethyl-2-methylbutanoate
CAS 79902-60-6C26H40O5
(1S,3S,7R,8R,8aS)-8-{2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-diethylbutanoate chemical structure, C27H42O5, CAS 79902-61-7
(1S,3S,7R,8R,8aS)-8-{2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-diethylbutanoate
CAS 79902-61-7C27H42O5
RefChem:151615 chemical structure, C25H38O6, CAS 114801-27-3
RefChem:151615
CAS 114801-27-3C25H38O6
ML 236C chemical structure, C18H26O3, CAS 58889-18-2
ML 236C
CAS 58889-18-2C18H26O3
Compactin diol lactone chemical structure, C18H26O4, CAS 58889-19-3
Compactin diol lactone
CAS 58889-19-3C18H26O4
8-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate chemical structure, C25H38O5, CAS 892395-81-2
8-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate
CAS 892395-81-2C25H38O5
Simvastatin impurity 47 chemical structure, C26H40O5, CAS 477877-98-8
Simvastatin impurity 47
CAS 477877-98-8C26H40O5
Simcor chemical structure, C31H43NO7, CAS 1054452-10-6
Simcor
CAS 1054452-10-6C31H43NO7
Monacolin J chemical structure, C19H28O4, CAS 79952-42-4
Monacolin J
CAS 79952-42-4C19H28O4
Pravastatin lactone chemical structure, C23H34O6, CAS 85956-22-5
Pravastatin lactone
CAS 85956-22-5C23H34O6
PravastatinLactone-d3 chemical structure, C23H34O6, CAS 81131-71-7
PravastatinLactone-d3
CAS 81131-71-7C23H34O6
Lovastatin Diol Lactone 4-tert-Butyldimethylsilyl Ether chemical structure, C25H42O4Si, CAS 79902-31-1
Lovastatin Diol Lactone 4-tert-Butyldimethylsilyl Ether
CAS 79902-31-1C25H42O4Si
(1S,3R,7S,8S)-8-{2-[(4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate chemical structure, C25H38O5, CAS 2743429-96-9
(1S,3R,7S,8S)-8-{2-[(4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
CAS 2743429-96-9C25H38O5
Acetyl simvastatin chemical structure, C27H40O6, CAS 145576-25-6
Acetyl simvastatin
CAS 145576-25-6C27H40O6
Dihydro-simvastatin chemical structure, C25H38O5, CAS 92083-03-9
Dihydro-simvastatin
CAS 92083-03-9C25H38O5
Lovastatin EP impurity B-D3 sodium salt chemical structure, C24H36O5, CAS 1279029-75-2
Lovastatin EP impurity B-D3 sodium salt
CAS 1279029-75-2C24H36O5
(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate chemical structure, C24H36O5, CAS 237073-61-9
(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
CAS 237073-61-9C24H36O5
2'-Ethyl simvastatin chemical structure, C23H34O5, CAS 79902-42-4
2'-Ethyl simvastatin
CAS 79902-42-4C23H34O5