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Murcko scaffold

Ring system with 5 rings and 18 atoms

19 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
18
Chemicals
19
With full pages
2
Scaffold SMILES

C1=C2CCCCC2C2CCC3C(CC4OC43)C2C1

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 C1=C2CCCCC2C2CCC3C(CC4OC43)C2C1

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 19 of 19 chemicals

16-Alpha,17-alpha-epoxy-3-beta-hydroxypregn-5-en-20-one chemical structure, C21H30O3, CAS 974-23-2
16-Alpha,17-alpha-epoxy-3-beta-hydroxypregn-5-en-20-one
CAS 974-23-2C21H30O3
16beta-Methyl-16alpha,17alpha-epoxypregnenolone chemical structure, C22H32O3, CAS 1922-48-1
16beta-Methyl-16alpha,17alpha-epoxypregnenolone
CAS 1922-48-1C22H32O3
16-Alpha,17-alpha-epoxy-20-oxopregn-5-en-3-beta-yl acetate chemical structure, C23H32O4
16-Alpha,17-alpha-epoxy-20-oxopregn-5-en-3-beta-yl acetate
C23H32O4
16beta,17-Epoxy-3beta-hydroxy-17alpha-pregn-5-en-20-one chemical structure, C21H30O3, CAS 1922-49-2
16beta,17-Epoxy-3beta-hydroxy-17alpha-pregn-5-en-20-one
CAS 1922-49-2C21H30O3
6b-Acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate chemical structure, C23H32O4, CAS 34209-81-9
6b-Acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate
CAS 34209-81-9C23H32O4
[(1R,2S,4R,6S,7S,10R,11R,14S)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate chemical structure, C23H32O4
[(1R,2S,4R,6S,7S,10R,11R,14S)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
C23H32O4
16alpha,17alpha-Epoxypregnenolone acetate chemical structure, C23H32O4
16alpha,17alpha-Epoxypregnenolone acetate
C23H32O4
[6-[(E)-N-Hydroxy-C-methylcarbonimidoyl]-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate chemical structure, C23H33NO4, CAS 65137-63-5
[6-[(E)-N-Hydroxy-C-methylcarbonimidoyl]-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
CAS 65137-63-5C23H33NO4
16,17-Epoxy-21-acetoxypregnenolone chemical structure, C23H32O5, CAS 28444-97-5
16,17-Epoxy-21-acetoxypregnenolone
CAS 28444-97-5C23H32O5
[(4R,6S)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate chemical structure, C23H32O4
[(4R,6S)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
C23H32O4
16alpha,17-Epoxy-20-oxopregn-5-en-3-ol acetate chemical structure, C23H32O4, CAS 56193-62-5
16alpha,17-Epoxy-20-oxopregn-5-en-3-ol acetate
CAS 56193-62-5C23H32O4
3beta-(Acetyloxy)-16alpha,17-epoxy-6-methylpregn-5-en-20-one chemical structure, C24H34O4, CAS 55349-94-5
3beta-(Acetyloxy)-16alpha,17-epoxy-6-methylpregn-5-en-20-one
CAS 55349-94-5C24H34O4
[(1R,2S,6S,7S,10S,11R)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate chemical structure, C23H32O4
[(1R,2S,6S,7S,10S,11R)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
C23H32O4
16-Methyl-20-oxo-16,17-epoxypregn-5-en-3-yl acetate chemical structure, C24H34O4, CAS 14105-35-2
16-Methyl-20-oxo-16,17-epoxypregn-5-en-3-yl acetate
CAS 14105-35-2C24H34O4
5-Pregnen-16,17-epoxy-6-methyl-3-beta-OL-20-one chemical structure, C22H32O3, CAS 103303-35-1
5-Pregnen-16,17-epoxy-6-methyl-3-beta-OL-20-one
CAS 103303-35-1C22H32O3
1-Propanone, 1-[(3beta,16alpha,17alpha)-16,17-epoxy-3-methoxyandrost-5-en-17-yl]-2,2-dimethyl- chemical structure, C25H38O3, CAS 677021-33-9
1-Propanone, 1-[(3beta,16alpha,17alpha)-16,17-epoxy-3-methoxyandrost-5-en-17-yl]-2,2-dimethyl-
CAS 677021-33-9C25H38O3
3b-Acetoxy-16a,17-epoxypregn-5-en-20-one chemical structure, C23H32O4
3b-Acetoxy-16a,17-epoxypregn-5-en-20-one
C23H32O4
[(1R,2R,4S,6S,7S,10S,11R,14R)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate chemical structure, C23H32O4
[(1R,2R,4S,6S,7S,10S,11R,14R)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
C23H32O4
[(6S,7S,11R)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate chemical structure, C23H32O4
[(6S,7S,11R)-6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
C23H32O4