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Murcko scaffold

Ring system with 7 rings and 40 atoms

7 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
40
Chemicals
7
With full pages
3
Scaffold SMILES

C1CCC(CC2CCCC3(CCC(C4CCC(C5OC(C6CCCCO6)CC5OC5CCCCO5)O4)O3)O2)OC1

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 C1CCC(CC2CCCC3(CCC(C4CCC(C5OC(C6CCCCO6)CC5OC5CCCCO5)O4)O3)O2)OC1

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 7 of 7 chemicals

Maduramicin chemical structure, C47H83NO17, CAS 84878-61-5
Maduramicin
CAS 84878-61-5C47H83NO17
Semduramicin chemical structure, C45H76O16, CAS 113378-31-7
Semduramicin
CAS 113378-31-7C45H76O16
Maduramicin alpha chemical structure, C47H80O17, CAS 79356-08-4
Maduramicin alpha
CAS 79356-08-4C47H80O17
Maduramycin chemical structure, C47H83NO17, CAS 61991-54-6
Maduramycin
CAS 61991-54-6C47H83NO17
Semduramicin sodium chemical structure, C45H75NaO16, CAS 119068-77-8
Semduramicin sodium
CAS 119068-77-8C45H75NaO16
2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-{[(2R,3S,4S,6S)-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-2-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid chemical structure, C47H80O17, CAS 3085544-81-3
2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-{[(2R,3S,4S,6S)-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-2-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
CAS 3085544-81-3C47H80O17
Maduramicin alpha, ammonium salt (1:1), mixt. with 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile chemical structure, C65H105N3O18, CAS 1076215-00-3
Maduramicin alpha, ammonium salt (1:1), mixt. with 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile
CAS 1076215-00-3C65H105N3O18