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Murcko scaffold

Ring system with 5 rings and 32 atoms

5 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
5
With full pages
0
Scaffold SMILES

O=C(OC1CC2C=COC(OC3CCCCO3)C2C1)C1=COC(OC2CCCCO2)CC1

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(OC1CC2C=COC(OC3CCCCO3)C2C1)C1=COC(OC2CCCCO2)CC1

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 5 of 5 chemicals

Cantleyoside chemical structure, C33H46O19, CAS 32455-46-2
Cantleyoside
CAS 32455-46-2C33H46O19
Sylvestroside I [M+H]+ chemical structure, C33H48O19
Sylvestroside I [M+H]+
C33H48O19
Triplostoside A chemical structure, C35H52O20, CAS 127422-61-1
Triplostoside A
CAS 127422-61-1C35H52O20
Sylvestroside I chemical structure, C33H48O19, CAS 71431-22-6
Sylvestroside I
CAS 71431-22-6C33H48O19
Methyl (1S,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-3-ethenyl-4-(2-hydroxyethyl)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate chemical structure, C33H48O19
Methyl (1S,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-3-ethenyl-4-(2-hydroxyethyl)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
C33H48O19