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Murcko scaffold

Ring system with 4 rings and 18 atoms

31 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
31
With full pages
6
Scaffold SMILES

O=C1CC2C3CCCCC3CCC2C2CCCC12

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=C1CC2C3CCCCC3CCC2C2CCCC12

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 31 of 31 chemicals

12-Ketochenodeoxycholic acid chemical structure, C24H38O5, CAS 2458-08-4
12-Ketochenodeoxycholic acid
CAS 2458-08-4C24H38O5
3alpha,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid chemical structure, C24H38O5, CAS 81873-91-8
3alpha,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid
CAS 81873-91-8C24H38O5
Tauro-3,7-dihydroxy-12-ketocholanoic acid chemical structure, C26H43NO7S, CAS 67460-70-2
Tauro-3,7-dihydroxy-12-ketocholanoic acid
CAS 67460-70-2C26H43NO7S
[(3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-Acetyl-16-(2,4-dioxopentan-3-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate chemical structure, C28H40O6, CAS 6953-90-8
[(3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-Acetyl-16-(2,4-dioxopentan-3-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS 6953-90-8C28H40O6
Methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate chemical structure, C25H40O4, CAS 18069-51-7
Methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
CAS 18069-51-7C25H40O4
12-Ketolithocholic acid acetate, methyl ester chemical structure, C27H42O5
12-Ketolithocholic acid acetate, methyl ester
C27H42O5
12-Ketolithocholic acid chemical structure, C24H38O4, CAS 5130-29-0
12-Ketolithocholic acid
CAS 5130-29-0C24H38O4
12-Oxo-5beta-cholan-24-oic Acid chemical structure, C24H38O3, CAS 63042-31-9
12-Oxo-5beta-cholan-24-oic Acid
CAS 63042-31-9C24H38O3
3beta-Hydroxy-12-oxo-5beta-cholanoic acid chemical structure, C24H38O4, CAS 4560-58-1
3beta-Hydroxy-12-oxo-5beta-cholanoic acid
CAS 4560-58-1C24H38O4
Methyl 3alpha,7alpha-diacetoxy-12-oxo-5beta-cholanate chemical structure, C29H44O7, CAS 28535-81-1
Methyl 3alpha,7alpha-diacetoxy-12-oxo-5beta-cholanate
CAS 28535-81-1C29H44O7
Cholan-24-oic acid, 7-(acetyloxy)-3-hydroxy-12-oxo-, (3alpha,5beta,7alpha)- chemical structure, C26H40O6, CAS 77499-22-0
Cholan-24-oic acid, 7-(acetyloxy)-3-hydroxy-12-oxo-, (3alpha,5beta,7alpha)-
CAS 77499-22-0C26H40O6
Methyl 3alpha-((ethoxycarbonyl)oxy)-12-oxo-5-beta-cholan-24-oate chemical structure, C28H44O6, CAS 83918-75-6
Methyl 3alpha-((ethoxycarbonyl)oxy)-12-oxo-5-beta-cholan-24-oate
CAS 83918-75-6C28H44O6
(3alpha,5beta)-3-(Acetyloxy)-12-oxocholan-24-oic acid chemical structure, C26H40O5, CAS 66874-05-3
(3alpha,5beta)-3-(Acetyloxy)-12-oxocholan-24-oic acid
CAS 66874-05-3C26H40O5
Methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate chemical structure, C27H42O6, CAS 71837-87-1
Methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate
CAS 71837-87-1C27H42O6
12-Ketochenodeoxycholic acid methyl ester chemical structure, C25H40O5, CAS 10538-64-4
12-Ketochenodeoxycholic acid methyl ester
CAS 10538-64-4C25H40O5
Cholanic acid, 3,7-dihydroxy-12-oxo- chemical structure, C24H38O5, CAS 72028-60-5
Cholanic acid, 3,7-dihydroxy-12-oxo-
CAS 72028-60-5C24H38O5
Methyl 3alpha-hydroxy-12-oxo-5beta-cholan-24-oate (11,11-D2) chemical structure, C25H40O4, CAS 28050-47-7
Methyl 3alpha-hydroxy-12-oxo-5beta-cholan-24-oate (11,11-D2)
CAS 28050-47-7C25H40O4
5alpha-Androstan-12-one chemical structure, C19H30O, CAS 3676-09-3
5alpha-Androstan-12-one
CAS 3676-09-3C19H30O
(R)-Methyl 4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C27H42O5, CAS 5143-55-5
(R)-Methyl 4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS 5143-55-5C27H42O5
5beta-Cholest-24-en-12-one chemical structure, C27H44O, CAS 14949-29-2
5beta-Cholest-24-en-12-one
CAS 14949-29-2C27H44O
5beta-Pregnan-12-one chemical structure, C21H34O, CAS 17996-90-6
5beta-Pregnan-12-one
CAS 17996-90-6C21H34O
5beta-Cholan-24-oic acid, 12-oxo-, methyl ester chemical structure, C25H40O3, CAS 1173-30-4
5beta-Cholan-24-oic acid, 12-oxo-, methyl ester
CAS 1173-30-4C25H40O3
2-(3-Aco-dimethyl-12-oxo-cyclopenta(A)phenanthren-17-yl)-propionic acid ME ester chemical structure, C25H38O5, CAS 115210-10-1
2-(3-Aco-dimethyl-12-oxo-cyclopenta(A)phenanthren-17-yl)-propionic acid ME ester
CAS 115210-10-1C25H38O5
Methyl 12-ketolithocholate (11,11-d2) chemical structure, C25H40O4, CAS 77050-15-8
Methyl 12-ketolithocholate (11,11-d2)
CAS 77050-15-8C25H40O4