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Murcko scaffold

Ring system with 4 rings and 19 atoms

24 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
24
With full pages
10
Scaffold SMILES

C=C1C(=O)C2C3CCCC3CCC2C2CCCCC12

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 C=C1C(=O)C2C3CCCC3CCC2C2CCCCC12

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 24 of 24 chemicals

(E)-3|A-hydroxy-6-ethylidene-7-keto-5|A-cholan-24-oic acid chemical structure, C26H40O4
(E)-3|A-hydroxy-6-ethylidene-7-keto-5|A-cholan-24-oic acid
C26H40O4
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C27H42O4
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
C27H42O4
Methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C27H42O4
Methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
C27H42O4
4-(6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid chemical structure, C26H40O4
4-(6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
C26H40O4
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid chemical structure, C26H40O4, CAS 1516887-34-5
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
CAS 1516887-34-5C26H40O4
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C27H42O4, CAS 1516887-32-3
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS 1516887-32-3C27H42O4
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid chemical structure, C26H40O4, CAS 1516887-33-4
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
CAS 1516887-33-4C26H40O4
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C27H42O4, CAS 1516887-31-2
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS 1516887-31-2C27H42O4
(E)-Obeticholic acid impurity 30 chemical structure, C26H40O4
(E)-Obeticholic acid impurity 30
C26H40O4
Obeticholic acid impurity 27 chemical structure, C27H42O4
Obeticholic acid impurity 27
C27H42O4
(4R)-4-[(3R,5R,8S,9R,10R,13R,14S,17R)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid chemical structure, C26H40O4
(4R)-4-[(3R,5R,8S,9R,10R,13R,14S,17R)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
C26H40O4
Methyl (4R)-4-[(3R,5R,8S,9R,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate chemical structure, C27H42O4
Methyl (4R)-4-[(3R,5R,8S,9R,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
C27H42O4
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-3-Acetoxy-6-ethylidene-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C29H44O5, CAS 2241648-47-3
(R)-Methyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,Z)-3-Acetoxy-6-ethylidene-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS 2241648-47-3C29H44O5
Methyl (4S)-4-[(3S,5S,6E,8R,9R,10S,13S,14R,17S)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate chemical structure, C27H42O4
Methyl (4S)-4-[(3S,5S,6E,8R,9R,10S,13S,14R,17S)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
C27H42O4
(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid chemical structure, C26H40O4
(3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid
C26H40O4
4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid chemical structure, C26H40O4
4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
C26H40O4
Obeticholic acid-G chemical structure, C26H40O4
Obeticholic acid-G
C26H40O4
(R)-Ethyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C28H44O4, CAS 1887002-83-6
(R)-Ethyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS 1887002-83-6C28H44O4
(R)-Methyl 4-((3R,5R,8R,9S,10R,12S,13R,14S,17R,Z)-6-ethylidene-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C27H42O5, CAS 1198787-01-7
(R)-Methyl 4-((3R,5R,8R,9S,10R,12S,13R,14S,17R,Z)-6-ethylidene-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS 1198787-01-7C27H42O5
Intermediate 4 chemical structure, C27H42O4
Intermediate 4
C27H42O4
(R)-Methyl 4-((3R,5R,8R,9S,10R,12S,13R,14S,17R,Z)-6-ethylidene-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate chemical structure, C27H42O5
(R)-Methyl 4-((3R,5R,8R,9S,10R,12S,13R,14S,17R,Z)-6-ethylidene-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
C27H42O5
Methyl 4-[(6Z)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate chemical structure, C27H42O4
Methyl 4-[(6Z)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
C27H42O4
4-[(10R,13R)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid chemical structure, C26H40O4
4-[(10R,13R)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
C26H40O4
(R)-4-[(3R,5R,8R,9S,10R,12S,13R,14S,17R)-6-Ethylidene-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic Acid chemical structure, C26H40O5, CAS 1988751-27-4
(R)-4-[(3R,5R,8R,9S,10R,12S,13R,14S,17R)-6-Ethylidene-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic Acid
CAS 1988751-27-4C26H40O5