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Murcko scaffold

Ring system with 5 rings and 19 atoms

72 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
19
Chemicals
72
With full pages
11
Scaffold SMILES

O=C1C=CC2C(=C1)CCC1C3CCCC3CC3OC321

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=CC2C(=C1)CCC1C3CCCC3CC3OC321

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 72 chemicals

8-Fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one chemical structure, C22H27FO5
8-Fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
C22H27FO5
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate) chemical structure, C26H30BrFO7, CAS 57789-28-3
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)
CAS 57789-28-3C26H30BrFO7
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) chemical structure, C25H28BrFO7, CAS 57808-79-4
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
CAS 57808-79-4C25H28BrFO7
9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate chemical structure, C24H30O6, CAS 912-38-9
9,11beta-Epoxy-17-hydroxy-16beta-methyl-3,20-dioxo-9beta-pregna-1,4-diene-21-yl acetate
CAS 912-38-9C24H30O6
Betamethasone 9,11-epoxide chemical structure, C22H28O5, CAS 981-34-0
Betamethasone 9,11-epoxide
CAS 981-34-0C22H28O5
6-Fluoro-17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl 2,2-dimethylpropanoate chemical structure, C27H35FO6, CAS 2135-16-2
6-Fluoro-17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl 2,2-dimethylpropanoate
CAS 2135-16-2C27H35FO6
9beta,11beta-Epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate chemical structure, C24H30O5, CAS 52092-65-6
9beta,11beta-Epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
CAS 52092-65-6C24H30O5
9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate chemical structure, C24H29FO6, CAS 4571-51-1
9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
CAS 4571-51-1C24H29FO6
9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione chemical structure, C21H25FO5, CAS 60864-43-9
9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione
CAS 60864-43-9C21H25FO5
9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) chemical structure, C25H29FO9, CAS 60864-45-1
9beta,11beta-Epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
CAS 60864-45-1C25H29FO9
9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate chemical structure, C23H27FO7, CAS 60864-48-4
9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
CAS 60864-48-4C23H27FO7
9beta,11alpha-Epoxy-6beta-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate) chemical structure, C26H31FO9, CAS 60864-53-1
9beta,11alpha-Epoxy-6beta-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)
CAS 60864-53-1C26H31FO9
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate chemical structure, C23H26BrFO6, CAS 60864-69-9
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
CAS 60864-69-9C23H26BrFO6
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione chemical structure, C21H24BrFO6, CAS 60864-70-2
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione
CAS 60864-70-2C21H24BrFO6
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate chemical structure, C23H26BrFO7, CAS 60864-71-3
2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
CAS 60864-71-3C23H26BrFO7
17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate chemical structure, C24H29BrO5, CAS 61339-41-1
17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
CAS 61339-41-1C24H29BrO5
17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione chemical structure, C22H27BrO4, CAS 61339-43-3
17-Bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
CAS 61339-43-3C22H27BrO4
17-Bromo-9beta,11beta-epoxy-6beta-fluoro-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione chemical structure, C22H26BrFO4
17-Bromo-9beta,11beta-epoxy-6beta-fluoro-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
C22H26BrFO4
(11alpha,16alpha)-9,11-Epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione chemical structure, C22H28O5, CAS 14622-47-0
(11alpha,16alpha)-9,11-Epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
CAS 14622-47-0C22H28O5
21-O-Acetyl dexamethasone 9,11-epoxide chemical structure, C24H30O6, CAS 2884-51-7
21-O-Acetyl dexamethasone 9,11-epoxide
CAS 2884-51-7C24H30O6
(1S,2S,10S,11S,13R,14R,15S,17S)-14-Hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carboxylic acid chemical structure, C21H26O5, CAS 159264-49-0
(1S,2S,10S,11S,13R,14R,15S,17S)-14-Hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carboxylic acid
CAS 159264-49-0C21H26O5
Dexamethasone 9,11-epoxide chemical structure, C22H28O5, CAS 24916-90-3
Dexamethasone 9,11-epoxide
CAS 24916-90-3C22H28O5
Methyl (1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carboxylate chemical structure, C22H28O5, CAS 159264-50-3
Methyl (1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carboxylate
CAS 159264-50-3C22H28O5
21-Chloro-9,11beta-epoxy-17-hydroxy-16alpha-methyl-9beta-pregna-1,4-diene-3,20-dione chemical structure, C22H27ClO4, CAS 83881-08-7
21-Chloro-9,11beta-epoxy-17-hydroxy-16alpha-methyl-9beta-pregna-1,4-diene-3,20-dione
CAS 83881-08-7C22H27ClO4