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Murcko scaffold

Ring system with 7 rings and 45 atoms

4 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
45
Chemicals
4
With full pages
0
Scaffold SMILES

O=c1c(OC2OCCCC2OC2CCCCO2)c(-c2ccccc2)oc2cc(OC3OCCCC3OC3CCCCO3)ccc12

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=c1c(OC2OCCCC2OC2CCCCO2)c(-c2ccccc2)oc2cc(OC3OCCCC3OC3CCCCO3)ccc12

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 4 of 4 chemicals

Hexandraside C chemical structure, C43H56O24, CAS 137218-01-0
Hexandraside C
CAS 137218-01-0C43H56O24
Acuminatoside chemical structure, C45H60O24, CAS 142735-71-5
Acuminatoside
CAS 142735-71-5C45H60O24
Xanthine oxidase-IN-8 chemical structure, C44H58O23, CAS 2571069-66-2
Xanthine oxidase-IN-8
CAS 2571069-66-2C44H58O23
4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-I(2)-D-glucopyranosyl-I+/--L-mannopyranosyl)oxy]-7-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-5-hydroxy-2-(3,4,5-trihydroxyphenyl)- chemical structure, C39H50O26, CAS 128701-39-3
4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-I(2)-D-glucopyranosyl-I+/--L-mannopyranosyl)oxy]-7-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-
CAS 128701-39-3C39H50O26