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Murcko scaffold

Ring system with 8 rings and 44 atoms

3 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
44
Chemicals
3
With full pages
1
Scaffold SMILES

O=C1CC(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CC4CCC23)CO1

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=C1CC(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CC4CCC23)CO1

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 3 of 3 chemicals

Digitoxin, 20,22-dihydro- chemical structure, C41H66O13, CAS 3786-76-3
Digitoxin, 20,22-dihydro-
CAS 3786-76-3C41H66O13
Dihydrodigoxin chemical structure, C41H66O14, CAS 5297-10-9
Dihydrodigoxin
CAS 5297-10-9C41H66O14
Cardanolide, 3-[(O-2,6-dideoxy-4-O-methyl-I(2)-D-ribo-hexopyranosyl-(1a4)-O-2,6-dideoxy-I(2)-D-ribo-hexopyranosyl-(1a4)-2,6-dideoxy-I(2)-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3I(2),5I(2),12I(2))- chemical structure, C42H68O14, CAS 53152-57-1
Cardanolide, 3-[(O-2,6-dideoxy-4-O-methyl-I(2)-D-ribo-hexopyranosyl-(1a4)-O-2,6-dideoxy-I(2)-D-ribo-hexopyranosyl-(1a4)-2,6-dideoxy-I(2)-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3I(2),5I(2),12I(2))-
CAS 53152-57-1C42H68O14