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Murcko scaffold

Ring system with 4 rings and 18 atoms

35 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
35
With full pages
6
Scaffold SMILES

O=C1CCC2C(=CCC3C4CCCC4CCC23)C1

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=C1CCC2C(=CCC3C4CCCC4CCC23)C1

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 35 of 35 chemicals

Cyanoketone chemical structure, C23H33NO2, CAS 4248-66-2
Cyanoketone
CAS 4248-66-2C23H33NO2
(7alpha,17beta)-17-Hydroxy-7-methylandrost-5-en-3-one chemical structure, C20H30O2, CAS 50880-57-4
(7alpha,17beta)-17-Hydroxy-7-methylandrost-5-en-3-one
CAS 50880-57-4C20H30O2
Pregn-5-ene-3,20-dione chemical structure, C21H30O2, CAS 1236-09-5
Pregn-5-ene-3,20-dione
CAS 1236-09-5C21H30O2
17-Hydroxypregn-5-ene-3,20-dione chemical structure, C21H30O3, CAS 641-80-5
17-Hydroxypregn-5-ene-3,20-dione
CAS 641-80-5C21H30O3
17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one chemical structure, C21H32O2, CAS 5062-44-2
17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one
CAS 5062-44-2C21H32O2
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-4,4,13-trimethyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one chemical structure, C20H30O2, CAS 31025-33-9
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-4,4,13-trimethyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS 31025-33-9C20H30O2
17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one chemical structure, C22H34O2, CAS 79812-85-4
17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one
CAS 79812-85-4C22H34O2
Androst-5-en-3-one,4-difluoro-17beta-hydroxy- chemical structure, C19H26F2O2, CAS 1827-32-3
Androst-5-en-3-one,4-difluoro-17beta-hydroxy-
CAS 1827-32-3C19H26F2O2
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one chemical structure, C20H28F2O2, CAS 800-06-6
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
CAS 800-06-6C20H28F2O2
4,4-Difluoropregn-5-ene-3,20-dione chemical structure, C21H28F2O2, CAS 1766-05-8
4,4-Difluoropregn-5-ene-3,20-dione
CAS 1766-05-8C21H28F2O2
4,4-Dimethyl cholest-5-en-3-one chemical structure, C29H48O, CAS 2220-42-0
4,4-Dimethyl cholest-5-en-3-one
CAS 2220-42-0C29H48O
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate chemical structure, C22H30F2O3, CAS 2713-92-0
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate
CAS 2713-92-0C22H30F2O3
5-Androsten-17beta-ol-3-one chemical structure, C19H28O2
5-Androsten-17beta-ol-3-one
C19H28O2
Rmi 14156 chemical structure, C19H28O2, CAS 50718-35-9
Rmi 14156
CAS 50718-35-9C19H28O2
17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate chemical structure, C21H30O3, CAS 54793-00-9
17beta-Hydroxy-7alpha-methylestr-5-en-3-one acetate
CAS 54793-00-9C21H30O3
beta-Sitosterone chemical structure, C29H48O, CAS 51529-11-4
beta-Sitosterone
CAS 51529-11-4C29H48O
Cholest-5-en-3-one chemical structure, C27H44O, CAS 601-54-7
Cholest-5-en-3-one
CAS 601-54-7C27H44O
17beta-Hydroxy-5-androsten-3-one chemical structure, C19H28O2, CAS 571-25-5
17beta-Hydroxy-5-androsten-3-one
CAS 571-25-5C19H28O2
18-Deoxyleucopaxillone A chemical structure, C34H54O6, CAS 918955-91-6
18-Deoxyleucopaxillone A
CAS 918955-91-6C34H54O6
Leucopaxillone A chemical structure, C34H54O7, CAS 799775-92-1
Leucopaxillone A
CAS 799775-92-1C34H54O7
(8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one chemical structure, C27H44O3, CAS 17205-76-4
(8S,9S,10R,13S,14S,17R)-17-[(2S)-3,6-Dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS 17205-76-4C27H44O3
[2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate chemical structure, C23H32O5, CAS 96268-64-3
[2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CAS 96268-64-3C23H32O5
(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-3-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate chemical structure, C23H32O4, CAS 95564-18-4
(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-3-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
CAS 95564-18-4C23H32O4
11beta,18,21-Trihydroxypregn-5-ene-3,20-dione chemical structure, C21H30O5, CAS 561-64-8
11beta,18,21-Trihydroxypregn-5-ene-3,20-dione
CAS 561-64-8C21H30O5