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Murcko scaffold

Ring system with 4 rings and 19 atoms

13 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
13
With full pages
4
Scaffold SMILES

O=C1C=CC2C(=CCC3C4CCCC4CC(=O)C23)C1

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=C1C=CC2C(=CCC3C4CCCC4CC(=O)C23)C1

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 13 of 13 chemicals

Cucurbitacin J chemical structure, C30H44O8
Cucurbitacin J
C30H44O8
2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione chemical structure, C30H44O8, CAS 6766-43-4
2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione
CAS 6766-43-4C30H44O8
Cucurbitacin L chemical structure, C30H44O7, CAS 1110-02-7
Cucurbitacin L
CAS 1110-02-7C30H44O7
Cucurbitacin E chemical structure, C32H44O8, CAS 18444-66-1
Cucurbitacin E
CAS 18444-66-1C32H44O8
Cucurbitacin I chemical structure, C30H42O7, CAS 2222-07-3
Cucurbitacin I
CAS 2222-07-3C30H42O7
(23E)-2,16,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-20-yl acetate chemical structure, C32H44O8, CAS 38308-89-3
(23E)-2,16,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-20-yl acetate
CAS 38308-89-3C32H44O8
2,16-Diacetylcucurbitacine(1) chemical structure, C34H46O9, CAS 26260-20-8
2,16-Diacetylcucurbitacine(1)
CAS 26260-20-8C34H46O9
Diacetyl-2,16 cucurbitacine (E) chemical structure, C36H48O10, CAS 26321-61-9
Diacetyl-2,16 cucurbitacine (E)
CAS 26321-61-9C36H48O10
23,24-Dihydrocucurbitacin E chemical structure, C32H46O8, CAS 28973-67-3
23,24-Dihydrocucurbitacin E
CAS 28973-67-3C32H46O8
(4R,24S)-2,16alpha,20,24,25-Pentahydroxy-9alpha,10,14-trimethyl-8beta-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione chemical structure, C30H44O8, CAS 622784-88-7
(4R,24S)-2,16alpha,20,24,25-Pentahydroxy-9alpha,10,14-trimethyl-8beta-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione
CAS 622784-88-7C30H44O8
Cucurbitacin J chemical structure, C30H44O8, CAS 622784-89-8
Cucurbitacin J
CAS 622784-89-8C30H44O8
(9beta,10alpha,16alpha)-2,16-Dihydroxy-4,4,9,14-tetramethyl-19-norpregna-1,5-diene-3,11,20-trione chemical structure, C24H32O5, CAS 55873-25-1
(9beta,10alpha,16alpha)-2,16-Dihydroxy-4,4,9,14-tetramethyl-19-norpregna-1,5-diene-3,11,20-trione
CAS 55873-25-1C24H32O5
[6-(2-Ethoxy-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate chemical structure, C34H48O8, CAS 1254715-42-8
[6-(2-Ethoxy-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
CAS 1254715-42-8C34H48O8