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 49 to 63 of 63 chemicals
Cholic acid impurity 23
CAS 126432-25-5C26H42O4
![(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-Ethyl-3-hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-7(2H)-one chemical structure, C26H44O3, CAS 2410049-27-1](/s/BZEPOAQBWLKSJM-QBNOYXSLSA-N.svg)
(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-Ethyl-3-hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-7(2H)-one
CAS 2410049-27-1C26H44O3
![Methyl (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-3-acetyloxy-6-ethyl-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, C29H46O5, CAS 1953137-50-2](/s/MVCNVEOJSIFSOO-HELBJICSSA-N.svg)
Methyl (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-3-acetyloxy-6-ethyl-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 1953137-50-2C29H46O5
7-Oxo-3beta,5alpha,6beta-cholestane-3,5,6-triyl triacetate
CAS 103216-04-2C33H52O7
![Methyl 4-(12-acetyloxy-3,6-dihydroxy-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, C27H42O7](/s/SUTLWFUELCOTMI-UHFFFAOYSA-N.svg)
Methyl 4-(12-acetyloxy-3,6-dihydroxy-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
C27H42O7
![4-(6-Ethenyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid chemical structure, C26H40O4](/s/NNNCIQYLYWIMIU-UHFFFAOYSA-N.svg)
4-(6-Ethenyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
C26H40O4
Ursodeoxycholic Acid impurity 74
C28H48O4Si
(3a,5b,6a)-6-(Ethyl-1,1,2,2,2-d5)-3-hydroxy-7-oxocholan-24-oic Acid
CAS 2025363-77-1C26H42O4
Disodium 7-oxo-3alpha-sulfato-5beta-cholan-24-oate
CAS 170703-34-1C24H36Na2O7S
Methyl (3alpha,5beta,6alpha,12alpha)-3,12-diacetoxy-6-bromo-7-oxocholan-24-oate
C29H43BrO7
Methyl (20R)-12-acetoxy-3,6-dihydroxy-7-oxocholan-24-oate
C27H42O7
Methyl 7-dehydrocholate diacetate (methyl 3alpha,12alpha-diacetoxy-7-oxo-5beta-cholan-24-oate)
C29H44O7
Cholic acid impurity 52
CAS 68170-81-0C25H40O4
6-Oxocannabidiol diacetate
CAS 57361-63-4C27H44O5
Orb3238153
CAS 2674426-87-8C26H43NNaO7S
Related scaffolds
Same ring framework with different atoms or bond orders
C1CCC2C(C1)CCC1C3CCCC3CCC21315 chemicals
O=C1C=C2CCC3C4CCCC4CCC3C2CC1301 chemicals
C1=C2CCCCC2C2CCC3CCCC3C2C1193 chemicals
O=C1C=CC2C(=C1)CCC1C3CCCC3CCC21183 chemicals
c1ccc2c(c1)CCC1C2CCC2CCCC21143 chemicals
O=C1CCC2C(CCC3C4CCCC4CCC23)C153 chemicals
O=C1CCC2C1CCC1c3ccccc3CCC1239 chemicals
C1CCC2C3=C(CCC2C1)C1CCCC1CC338 chemicals
O=C1CCC2C1CCC1C3CCCCC3CCC2132 chemicals
O=C1CCC2C1CCC1C3CCCCC3=CCC2130 chemicals
O=C1C=C2CCC3C4CCC(=O)C4CCC3C2CC129 chemicals
C1=C2C3CCCC3CCC2C2CCCCC2C125 chemicals