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Murcko scaffold

Ring system with 4 rings and 48 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
48
Chemicals
6
With full pages
5
Scaffold SMILES

O=C(C=CC=CC=CC=CC=CC=CC=CC(=O)OC1CCCC(COC2CCCCO2)O1)OC1CCCC(COC2CCCCO2)O1

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(C=CC=CC=CC=CC=CC=CC=CC(=O)OC1CCCC(COC2CCCCO2)O1)OC1CCCC(COC2CCCCO2)O1

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 6 of 6 chemicals

Bis((3,4,5-trihydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl)) 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate chemical structure, C44H64O24, CAS 94238-00-3
Bis((3,4,5-trihydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl)) 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
CAS 94238-00-3C44H64O24
Crocin chemical structure, C44H64O24, CAS 42553-65-1
Crocin
CAS 42553-65-1C44H64O24
Gardenia yellow chemical structure, C44H64O24
Gardenia yellow
C44H64O24
Crocetin digentiobiosyl ester chemical structure, C44H64O24
Crocetin digentiobiosyl ester
C44H64O24
Crocin impurity 1 chemical structure, C44H64O24, CAS 91740-80-6
Crocin impurity 1
CAS 91740-80-6C44H64O24
Gardenia yellow chemical structure, C44H64O24
Gardenia yellow
C44H64O24