Free for buyers, contact details stay privateFree for buyers. Your contact details stay private until you accept a quote.

Sign in Join free

Murcko scaffold

Ring system with 3 rings and 11 atoms

9 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 11
Chemicals: 9
With full pages: 4

Scaffold SMILES

C1=CC2=CCC3(CO3)C2CO1

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 C1=CC2=CCC3(CO3)C2CO1

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 9 of 9 chemicals

Acevaltrate chemical structure, C24H32O10, CAS 25161-41-5

CAS 25161-41-5C₂₄H₃₂O₁₀

Isovaltrate chemical structure, C22H30O8, CAS 31078-10-1

CAS 31078-10-1C₂₂H₃₀O₈

Valtrate chemical structure, C22H30O8, CAS 18296-44-1

CAS 18296-44-1C₂₂H₃₀O₈

Valepotriate chemical structure, C22H30O8, CAS 51020-90-7

CAS 51020-90-7C₂₂H₃₀O₈

Valtrates (combination) chemical structure, C68H94O26, CAS 78769-65-0

Valtrates (combination)

CAS 78769-65-0C₆₈H₉₄O₂₆

Butanoic acid, 3-methyl-, (1S,2a(2)R,6R,7aS)-6,7a-dihydro-6-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2a(2)-oxiran]-1-yl ester chemical structure, C20H28O7, CAS 53773-14-1

Butanoic acid, 3-methyl-, (1S,2a(2)R,6R,7aS)-6,7a-dihydro-6-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2a(2)-oxiran]-1-yl ester

CAS 53773-14-1C₂₀H₂₈O₇

1-alpha-Acevaltrate chemical structure, C24H32O10, CAS 78700-02-4

1-alpha-Acevaltrate

CAS 78700-02-4C₂₄H₃₂O₁₀

Butanoic acid, 3-methyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl ester chemical structure, C25H36O9, CAS 96681-66-2

Butanoic acid, 3-methyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl ester

CAS 96681-66-2C₂₅H₃₆O₉

Butanoic acid, 3,3-dimethyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2a(2)-oxiran]-6-yl ester, [1S-(1I+/-,6I+/-,7I(2),7aI+/-)]- chemical structure, C26H38O9, CAS 137088-15-4

Butanoic acid, 3,3-dimethyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2a(2)-oxiran]-6-yl ester, [1S-(1I+/-,6I+/-,7I(2),7aI+/-)]-

CAS 137088-15-4C₂₆H₃₈O₉