Murcko scaffold
Ring system with 4 rings and 20 atoms
20 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 20
- Chemicals
- 20
- With full pages
- 3
Scaffold SMILES
O=C1CCC2C(C1)CC(=O)C1C3CCCC3C(=O)CC21
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 20 of 20 chemicals
3,7,12-Trioxocholan-24-oic acid
CAS 7276-59-7C24H34O5
Dehydrocholic acid
CAS 81-23-2C24H34O5
Ethyl 3,7,12-trioxo-5betacholan-24-oate
CAS 52718-49-7C26H38O5
Magnesium dehydrocholate
CAS 7786-84-7C48H66MgO10
Taurodehydrocholate
CAS 517-37-3C26H39NO7S
Methyl 3,7,12-trioxocholan-24-oate
CAS 7727-82-4C25H36O5
3,7,12-Trioxo-5alpha-cholan-24-oic acid
CAS 15073-88-8C24H34O5
Glycodehydrocholic acid
CAS 3415-45-0C26H37NO6
Choline dehydrocholate
CAS 4201-78-9C29H47NO6
Ethanesulfonic acid, 2-(((5beta)-3,7,12,24-tetraoxocholan-24-yl)amino)-, monosodium salt
C26H38NNaO7S
Dehydrocholate sodium
CAS 145-41-5C24H33NaO5
Sodium taurodehydrocholate
CAS 57011-24-2C26H38NNaO7S
![Sodium 2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonate chemical structure, C26H38NNaO7S](/s/RKSAYDXINPFQGF-UHFFFAOYSA-M.svg)
Sodium 2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonate
C26H38NNaO7S
Lithium 3,7,12-trioxo-5beta-cholan-24-oate
CAS 94107-86-5C24H33LiO5
(Carboxymethyl)trimethylammonium 3,7,12-trioxocholan-24-oate
CAS 18434-76-9C29H45NO7
Progresin (retard)
CAS 8061-91-4C60H74Mg2N2O14
![Sodium 2-[[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate chemical structure, C26H38NNaO7S](/s/RKSAYDXINPFQGF-XQWKUGTKSA-M.svg)
Sodium 2-[[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
C26H38NNaO7S
![(4S)-4-[(1S,3aR,3bS,5aR,9aR,9bR,11aS)-9a,11a-Dimethyl-4,7,11-trioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid chemical structure, C24H34O5, CAS 3105475-04-2](/s/OHXPGWPVLFPUSM-FLXXOENNSA-N.svg)
(4S)-4-[(1S,3aR,3bS,5aR,9aR,9bR,11aS)-9a,11a-Dimethyl-4,7,11-trioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
CAS 3105475-04-2C24H34O5
Sodium 3,7,12-trioxo-N-(2-sulfoethyl)cholan-24-imidate
CAS 130860-44-5C26H38NNaO7S
(Trimethylazaniumyl)acetate--3,7,12-trioxocholan-24-oic acid (1/1)
C29H45NO7
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