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Murcko scaffold

Ring system with 5 rings and 26 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
26
Chemicals
8
With full pages
2
Scaffold SMILES

O=C(Cc1ccccc1)OC12CCC3C4C=CC(=O)C4CC=CC3C1C2

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=C(Cc1ccccc1)OC12CCC3C4C=CC(=O)C4CC=CC3C1C2

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 8 of 8 chemicals

12-Deoxyphorbolphenylacetate chemical structure, C28H34O6, CAS 58821-98-0
12-Deoxyphorbolphenylacetate
CAS 58821-98-0C28H34O6
Candletoxin B chemical structure, C33H42O8, CAS 64854-98-4
Candletoxin B
CAS 64854-98-4C33H42O8
Candletoxin A chemical structure, C35H44O9, CAS 64854-99-5
Candletoxin A
CAS 64854-99-5C35H44O9
12-Deoxyphorbol 13-phenylacetate 20-acetate chemical structure, C30H36O7, CAS 54662-30-5
12-Deoxyphorbol 13-phenylacetate 20-acetate
CAS 54662-30-5C30H36O7
12-Deoxyphorbol-13-(4-hydroxyphenylacetate)-20-acetate chemical structure, C30H36O8, CAS 62350-31-6
12-Deoxyphorbol-13-(4-hydroxyphenylacetate)-20-acetate
CAS 62350-31-6C30H36O8
12-Deoxyphorbol-13-(4-acetoxyphenylacetate)-20-acetate chemical structure, C32H38O9, CAS 69883-99-4
12-Deoxyphorbol-13-(4-acetoxyphenylacetate)-20-acetate
CAS 69883-99-4C32H38O9
Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester chemical structure, C35H42O9, CAS 83920-73-4
Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro-1,6,8-trimethyl-1-(((2-methyl-1-oxo-2-butenyl)oxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester
CAS 83920-73-4C35H42O9
20-Oxo-12,20-dideoxyphorbol 13-phenylacetate chemical structure, C28H32O6, CAS 138574-84-2
20-Oxo-12,20-dideoxyphorbol 13-phenylacetate
CAS 138574-84-2C28H32O6