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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 49 to 72 of 72 chemicals

(9b,11b)-Epoxy fluorometholone acetate chemical structure, C24H30O5, CAS 83873-17-0
(9b,11b)-Epoxy fluorometholone acetate
CAS 83873-17-0C24H30O5
(8xi,9beta,11beta,16alpha)-21-Hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione chemical structure, C22H28O4, CAS 151265-33-7
(8xi,9beta,11beta,16alpha)-21-Hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione
CAS 151265-33-7C22H28O4
(6alpha,8xi,9beta,11beta,16alpha)-6-Fluoro-21-hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione chemical structure, C22H27FO4, CAS 61618-89-1
(6alpha,8xi,9beta,11beta,16alpha)-6-Fluoro-21-hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione
CAS 61618-89-1C22H27FO4
Fluticasone impurity N11 chemical structure, C21H25FO5, CAS 192191-46-1
Fluticasone impurity N11
CAS 192191-46-1C21H25FO5
(6alpha,9beta,11beta)-17,21-Bis(acetyloxy)-9,11-epoxy-6-fluoropregna-1,4-diene-3,20-dione chemical structure, C25H29FO7, CAS 72498-89-6
(6alpha,9beta,11beta)-17,21-Bis(acetyloxy)-9,11-epoxy-6-fluoropregna-1,4-diene-3,20-dione
CAS 72498-89-6C25H29FO7
Epoxy metradiene chemical structure, C22H28O4, CAS 83873-16-9
Epoxy metradiene
CAS 83873-16-9C22H28O4
Fluocinonide impurity 15 chemical structure, C23H27FO6, CAS 3802-45-7
Fluocinonide impurity 15
CAS 3802-45-7C23H27FO6
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-16-methyl-21-[(1-oxopentyl)oxy]-, (6alpha,9beta,11beta,16alpha)- chemical structure, C27H35FO5, CAS 65535-29-7
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-16-methyl-21-[(1-oxopentyl)oxy]-, (6alpha,9beta,11beta,16alpha)-
CAS 65535-29-7C27H35FO5
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17-hydroxy-16-methyl-, (9beta,11beta,16beta)- chemical structure, C22H28O4, CAS 37413-99-3
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17-hydroxy-16-methyl-, (9beta,11beta,16beta)-
CAS 37413-99-3C22H28O4
2-[(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-dien-14-yl]-2-oxoacetaldehyde chemical structure, C22H26O5, CAS 1169872-15-4
2-[(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-dien-14-yl]-2-oxoacetaldehyde
CAS 1169872-15-4C22H26O5
(1S,2S,10S,11S,13S,14R,15S,17S)-14-(2-Chloroacetyl)-14-hydroxy-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one chemical structure, C22H27ClO4, CAS 947382-36-7
(1S,2S,10S,11S,13S,14R,15S,17S)-14-(2-Chloroacetyl)-14-hydroxy-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
CAS 947382-36-7C22H27ClO4
17-Hydroxy-3,20-dioxo-9beta,11beta,16alpha-9,11-epoxypregna-1,4-diene-16,21-diyl diacetate chemical structure, C25H30O8, CAS 96670-24-5
17-Hydroxy-3,20-dioxo-9beta,11beta,16alpha-9,11-epoxypregna-1,4-diene-16,21-diyl diacetate
CAS 96670-24-5C25H30O8
[2-[(1S,2S,10S,11S,13R,14S,15S,17S)-13,14-Dihydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate chemical structure, C23H28O7, CAS 58404-37-8
[2-[(1S,2S,10S,11S,13R,14S,15S,17S)-13,14-Dihydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
CAS 58404-37-8C23H28O7
9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate chemical structure, C23H27FO7
9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
C23H27FO7
16a-Dexamethasone 9,11-epoxide 21-propionate chemical structure, C25H32O6, CAS 494870-08-5
16a-Dexamethasone 9,11-epoxide 21-propionate
CAS 494870-08-5C25H32O6
16-Methylepoxide-17-valerate chemical structure, C27H36O6, CAS 52619-21-3
16-Methylepoxide-17-valerate
CAS 52619-21-3C27H36O6
[2-[(1R,2S,10S,11S,13R,14R,15S,17R)-14-Hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate chemical structure, C24H30O6, CAS 14622-51-6
[2-[(1R,2S,10S,11S,13R,14R,15S,17R)-14-Hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
CAS 14622-51-6C24H30O6
(6alpha,9beta,11beta,16alpha)-9,11-Epoxy-17,21-dihydroxy-6,16-dimethyl-pregna-1,4-diene-3,20-dione chemical structure, C23H30O5, CAS 103374-59-0
(6alpha,9beta,11beta,16alpha)-9,11-Epoxy-17,21-dihydroxy-6,16-dimethyl-pregna-1,4-diene-3,20-dione
CAS 103374-59-0C23H30O5
(6alpha,9beta,11beta,16alpha)-9,11-Epoxy-6-Fluoro-17,21-Dihydroxy-16-Methyl-Pregna-1,4-Diene-3,20-Dione chemical structure, C22H27FO5
(6alpha,9beta,11beta,16alpha)-9,11-Epoxy-6-Fluoro-17,21-Dihydroxy-16-Methyl-Pregna-1,4-Diene-3,20-Dione
C22H27FO5
(1S,2S,14S,15S)-4-Bromo-8-fluoro-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one chemical structure, C21H24BrFO6
(1S,2S,14S,15S)-4-Bromo-8-fluoro-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
C21H24BrFO6
(1S,2S,14R,15S)-14-Bromo-8-fluoro-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, C22H26BrFO4
(1S,2S,14R,15S)-14-Bromo-8-fluoro-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
C22H26BrFO4
Fluticasone impurity 28 chemical structure, C25H30F2O5S, CAS 192191-49-4
Fluticasone impurity 28
CAS 192191-49-4C25H30F2O5S
(1S,2S,8S,10S,11S,13R,14R,15S,17S)-14-Hydroxy-14-(2-hydroxyacetyl)-2,8,13,15-tetramethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one chemical structure, C23H30O5
(1S,2S,8S,10S,11S,13R,14R,15S,17S)-14-Hydroxy-14-(2-hydroxyacetyl)-2,8,13,15-tetramethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
C23H30O5
Beclometasone dipropionate impurity 44 chemical structure, C22H27BrO5, CAS 947382-38-9
Beclometasone dipropionate impurity 44
CAS 947382-38-9C22H27BrO5