Murcko scaffold
Ring system with 4 rings and 18 atoms
63 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 18
- Chemicals
- 63
- With full pages
- 9
Scaffold SMILES
O=C1CC2CCCCC2C2CCC3CCCC3C12
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.
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 48 of 63 chemicals
Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-7-oxo-5beta-cholan-24-oate
CAS 21059-40-5C28H44O7
3,12-Dihydroxy-7-oxocholanoyltaurine
CAS 67460-69-9C26H43NO7S
7-Ketodeoxycholic acid
CAS 911-40-0C24H38O5
7-Oxoandrostane-3,17-diyl diacetate
CAS 13209-61-5C23H34O5
7-Ketolithocholic acid
CAS 4651-67-6C24H38O4
3alpha,12alpha-Diacetoxy-7-oxo-5beta-cholan-24-oic acid methyl ester
C29H44O7
Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester
CAS 73771-71-8C28H44O6
N-((3Alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine
CAS 75808-00-3C26H41NO5
(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester
C29H43BrO7
3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid
CAS 67008-26-8C24H38O4
3alpha,6alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid
CAS 88725-42-2C24H38O5
3alpha-Hydroxy-7-oxo-5alpha-cholan-24-oic Acid
CAS 1144012-08-7C24H38O4
3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic acid methyl ester
CAS 10538-59-7C25H40O4
3alpha-Hydroxy-7-oxocholanoyltaurine
CAS 75808-01-4C26H43NO6S
![(3a,5b,6a)-6-Bromo-3-[(ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester chemical structure, C28H43BrO6, CAS 125112-73-4](/s/OTQKRWDYSBXXEM-IQDKFTAJSA-N.svg)
(3a,5b,6a)-6-Bromo-3-[(ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester
CAS 125112-73-4C28H43BrO6
Methyl 3alpha,12alpha-diacetyloxy-7-oxo-5beta-cholanate
CAS 21066-20-6C29H44O7
RefChem:593124
CAS 459789-97-0C28H46O4
Obeticholic acid impurity 59
CAS 462122-38-9C27H44O4
5alpha-Androstan-3beta,17beta-diol-7-one
CAS 28375-34-0C19H30O3
Cholestan-7-one
CAS 55902-82-4C27H46O
Methyl 7-ketocholate
CAS 10538-65-5C25H40O5
![Methyl (4R)-4-[(3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,12-diacetyloxy-6-bromo-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate chemical structure, C29H43BrO7, CAS 10452-63-8](/s/MAIKGBHVJKDTPG-UZSMRUEJSA-N.svg)
Methyl (4R)-4-[(3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,12-diacetyloxy-6-bromo-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
CAS 10452-63-8C29H43BrO7
![(3a,5b)-3-[(Ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester chemical structure, C28H44O6, CAS 96475-64-8](/s/BASXPVZSBPLCKO-KJLIZYLQSA-N.svg)
(3a,5b)-3-[(Ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester
CAS 96475-64-8C28H44O6
Methyl 3,6-dihydroxy-7-oxo-cholan-24-oic Acid Ester
CAS 28071-17-2C25H40O5
- (3?,5?,6?)-3,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxo-cholan-24-oic Acid Methyl Ester125112-75-6C37H68O5Si2
- (3a,5b,6a)-3,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxo-cholan-24-oic Acid125112-90-5C36H66O5Si2
- Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3alpha,5beta)-10452-65-0C27H42O5
- Stigmastan-7-one55331-88-9C29H50O
- (R)-4-[(3R,5S,6R,8R,9S,10S,12S,13R,14S,17R)-6-Ethyl-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic Acid2080376-78-7C26H42O5
- 26-Hydroxycholestan-7-one7591-17-5C27H46O2
- 3 suppliers(R)-4-((3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-Ethyl-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid915038-26-5C26H42O4
- 3-Trimethylsilyloxy-7-ketolithocholic methyl ester77341-09-4C28H48O4Si
- (R)-4-((3R,5S,6S,8S,9S,10S,13R,14S,17R)-6-Ethyl-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid915038-25-4C26H42O4
- Methyl (3?,5?,6?)-3-(Acetyloxy)-6-bromo-7-oxo-cholan-24-oic Acid Ester10452-64-9C27H41BrO5
- Methyl 4-(10,13-dimethyl-7-oxo-3-trimethylsilyloxy-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoateC28H48O4Si
- 12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester133181-56-3C27H42O7
- (R)-Methyl 4-((3R,5S,6S,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate2256729-02-7C27H44O5
- (3|A,5|A)-6-Ethenyl-3-hydroxy-7-oxo-cholan-24-oic acid915038-24-3C26H40O4
- (3alpha,5beta,6alpha)-3-(Acetyloxy)-6-ethyl-7-oxocholan-24-oic acid1953137-57-9C28H44O5
- (R)-Methyl4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-(tert-butyldimethylsilyloxy)-10,13-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate-R28549336099-76-4C31H54O4Si
- (3alpha,5beta)-7-Oxo-3alpha-sulfato-5beta-cholan-24-oate Disodium SaltC24H36Na2O7S
- (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-((trimethylsilyl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoateC28H48O4Si
- Methyl 3?-Acetoxy-6-ethyl-7-keto-5?-cholanate1831863-19-4C29H46O5
- (R)-4-((3R,5S,8S,9S,10S,13R,14S,17R)-6-Ethyl-3-hydroxy-10,13-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid1892540-33-8C26H42O4
- (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-((trimethylsilyl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoateC28H48O4Si
- (R)-Methyl 4-((3R,5S,6R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoateC27H44O5
- Obeticholic acid impurity 601654780-32-1C27H44O4
- tert-Butyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate2061908-02-7C28H46O4
Related scaffolds
Same ring framework with different atoms or bond orders
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