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Murcko scaffold

Ring system with 5 rings and 34 atoms

6 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
34
Chemicals
6
With full pages
1
Scaffold SMILES

O=C(OCC1CCCC(Oc2c(-c3ccccc3)oc3ccccc3c2=O)O1)c1ccccc1

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(OCC1CCCC(Oc2c(-c3ccccc3)oc3ccccc3c2=O)O1)c1ccccc1

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

Myricetin 3-(6''-galloylgalactoside) chemical structure, C28H24O17, CAS 56317-08-9
Myricetin 3-(6''-galloylgalactoside)
CAS 56317-08-9C28H24O17
Astragalin 6''-gallate chemical structure, C28H24O15, CAS 56317-05-6
Astragalin 6''-gallate
CAS 56317-05-6C28H24O15
Quercetin 3-(6''-galloylgalactoside) chemical structure, C28H24O16, CAS 53171-28-1
Quercetin 3-(6''-galloylgalactoside)
CAS 53171-28-1C28H24O16
Quercetin 3-(6''-galloylglucoside) chemical structure, C28H24O16, CAS 56316-75-7
Quercetin 3-(6''-galloylglucoside)
CAS 56316-75-7C28H24O16
5,7-Dihydroxy-3-[[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one chemical structure, C28H24O13, CAS 136516-77-3
5,7-Dihydroxy-3-[[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS 136516-77-3C28H24O13
Quercetin 3-(6''-p-hydroxybenzoylgalactoside) chemical structure, C28H24O14, CAS 72672-58-3
Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
CAS 72672-58-3C28H24O14