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Murcko scaffold

Ring system with 4 rings and 19 atoms

20 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
20
With full pages
4
Scaffold SMILES

O=C1CCC2C(C1)C(=O)CC1C3CCCC3CCC21

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(C1)C(=O)CC1C3CCCC3CCC21

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 20 of 20 chemicals

3,6-Dioxocholan-24-oic acid chemical structure, C24H36O4, CAS 6868-73-1
3,6-Dioxocholan-24-oic acid
CAS 6868-73-1C24H36O4
5alpha-Cholestane-3,6-dione chemical structure, C27H44O2, CAS 2243-09-6
5alpha-Cholestane-3,6-dione
CAS 2243-09-6C27H44O2
6-Ketodihydrotestosterone chemical structure, C19H28O3, CAS 899-39-8
6-Ketodihydrotestosterone
CAS 899-39-8C19H28O3
Cholestane-3,6-dione chemical structure, C27H44O2, CAS 13492-22-3
Cholestane-3,6-dione
CAS 13492-22-3C27H44O2
CHOLESTAN-5alpha-OL-3, 6-DIONE chemical structure, C27H44O3, CAS 20281-70-3
CHOLESTAN-5alpha-OL-3, 6-DIONE
CAS 20281-70-3C27H44O3
3,6-Dioxo-5alpha-cholan-24-oic Acid chemical structure, C24H36O4, CAS 6929-22-2
3,6-Dioxo-5alpha-cholan-24-oic Acid
CAS 6929-22-2C24H36O4
Stigmastane-3,6-dione chemical structure, C29H48O2, CAS 22149-69-5
Stigmastane-3,6-dione
CAS 22149-69-5C29H48O2
5alpha-Pregnane-3,6,20-trione chemical structure, C21H30O3, CAS 1923-27-9
5alpha-Pregnane-3,6,20-trione
CAS 1923-27-9C21H30O3
Methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate chemical structure, C25H38O4, CAS 1175-04-8
Methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS 1175-04-8C25H38O4
3-Dehydroteasterone chemical structure, C28H46O4, CAS 124853-28-7
3-Dehydroteasterone
CAS 124853-28-7C28H46O4
5beta-Cholestane-3,6-dione chemical structure, C27H44O2, CAS 22799-16-2
5beta-Cholestane-3,6-dione
CAS 22799-16-2C27H44O2
Pregnane-3,6,20-trione chemical structure, C21H30O3, CAS 30802-24-5
Pregnane-3,6,20-trione
CAS 30802-24-5C21H30O3
5beta-Pregnane-3,6,20-trione chemical structure, C21H30O3, CAS 1239-92-5
5beta-Pregnane-3,6,20-trione
CAS 1239-92-5C21H30O3
Androstane-3,6-dione, 17-hydroxy-, (5beta,17beta)- chemical structure, C19H28O3, CAS 53512-50-8
Androstane-3,6-dione, 17-hydroxy-, (5beta,17beta)-
CAS 53512-50-8C19H28O3
Ergostane-3,6-dione chemical structure, C28H46O2, CAS 88662-00-4
Ergostane-3,6-dione
CAS 88662-00-4C28H46O2
17-Hydroxy-19-norpregn-20-yne-3,6-dione chemical structure, C20H26O3, CAS 53697-08-8
17-Hydroxy-19-norpregn-20-yne-3,6-dione
CAS 53697-08-8C20H26O3
(5S,8r,10r,13s,14s,17r)-17-Ethynyl-17-hydroxy-13-methyl-2,4,5,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione chemical structure, C20H26O3
(5S,8r,10r,13s,14s,17r)-17-Ethynyl-17-hydroxy-13-methyl-2,4,5,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
C20H26O3
(5alpha,22E)-Stigmast-22-ene-3,6-dione chemical structure, C29H46O2, CAS 88661-99-8
(5alpha,22E)-Stigmast-22-ene-3,6-dione
CAS 88661-99-8C29H46O2
(13S,17R)-17-Ethynyl-17-hydroxy-13-methyl-2,4,5,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione chemical structure, C20H26O3
(13S,17R)-17-Ethynyl-17-hydroxy-13-methyl-2,4,5,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
C20H26O3
4,5-Dihydro-6-ketonorethindrone chemical structure, C20H26O3
4,5-Dihydro-6-ketonorethindrone
C20H26O3