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Murcko scaffold

Ring system with 5 rings and 20 atoms

20 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
20
Chemicals
20
With full pages
1
Scaffold SMILES

C1CC(C2CC3CCOC3O2)C2CCCC3(CO3)C2C1

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 C1CC(C2CC3CCOC3O2)C2CCCC3(CO3)C2C1

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

8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(hexahydrofuro[2,3-b]furan-2-yl)-2-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate chemical structure, C29H44O10, CAS 72160-84-0
8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(hexahydrofuro[2,3-b]furan-2-yl)-2-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate
CAS 72160-84-0C29H44O10
Ivain IV chemical structure, C29H44O10, CAS 79495-88-8
Ivain IV
CAS 79495-88-8C29H44O10
Ivain iii chemical structure, C30H46O11, CAS 79495-89-9
Ivain iii
CAS 79495-89-9C30H46O11
Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)- chemical structure, C28H42O9, CAS 79495-90-2
Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-
CAS 79495-90-2C28H42O9
Ivain I chemical structure, C28H42O10, CAS 79568-28-8
Ivain I
CAS 79568-28-8C28H42O10
Ajugavensin A chemical structure, C29H44O9, CAS 140400-73-3
Ajugavensin A
CAS 140400-73-3C29H44O9
3-Deacetoxycaryoptin hydrate chemical structure, C24H36O8, CAS 53777-58-5
3-Deacetoxycaryoptin hydrate
CAS 53777-58-5C24H36O8
Chamaepitin chemical structure, C31H46O13, CAS 109792-19-0
Chamaepitin
CAS 109792-19-0C31H46O13
RefChem:381183 chemical structure, C26H40O8, CAS 124753-87-3
RefChem:381183
CAS 124753-87-3C26H40O8
Hativene A chemical structure, C29H44O11, CAS 263359-96-2
Hativene A
CAS 263359-96-2C29H44O11
Hativene C chemical structure, C29H44O11, CAS 263359-98-4
Hativene C
CAS 263359-98-4C29H44O11
Hativene B chemical structure, C29H44O11, CAS 263359-97-3
Hativene B
CAS 263359-97-3C29H44O11
Lupulin A chemical structure, C30H46O11, CAS 176739-76-7
Lupulin A
CAS 176739-76-7C30H46O11
14,15-Dihydroajugapitin chemical structure, C29H44O10
14,15-Dihydroajugapitin
C29H44O10
14,15-Dihydroajugapitin chemical structure, C29H44O10
14,15-Dihydroajugapitin
C29H44O10
Dihydroajugapitin chemical structure, C29H44O10, CAS 87480-84-0
Dihydroajugapitin
CAS 87480-84-0C29H44O10
Scutelaterin C chemical structure, C29H44O10, CAS 212069-17-5
Scutelaterin C
CAS 212069-17-5C29H44O10
[(1S,2R,3S,4aS,5R,6S,8R,8aS)-5-[(3aS,5R,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-methylbutanoate chemical structure, C29H44O10
[(1S,2R,3S,4aS,5R,6S,8R,8aS)-5-[(3aS,5R,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-methylbutanoate
C29H44O10
Caryoptinol, 14,15-dihydro-2-hydroxy-, 3-(2-methylbutanoate), (2alpha,3beta)- chemical structure, C29H44O10
Caryoptinol, 14,15-dihydro-2-hydroxy-, 3-(2-methylbutanoate), (2alpha,3beta)-
C29H44O10
Areptin A chemical structure, C31H46O12, CAS 220997-80-8
Areptin A
CAS 220997-80-8C31H46O12