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Murcko scaffold

Ring system with 5 rings and 24 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
24
Chemicals
7
With full pages
4
Scaffold SMILES

O=C1c2cc3c(cc2C(c2ccccc2)C2C(=O)OCC12)OCO3

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=C1c2cc3c(cc2C(c2ccccc2)C2C(=O)OCC12)OCO3

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 7 of 7 chemicals

d,l-Isopodophyllotoxone chemical structure, C22H20O8, CAS 64550-42-1
d,l-Isopodophyllotoxone
CAS 64550-42-1C22H20O8
Podophyllotoxone chemical structure, C22H20O8, CAS 477-49-6
Podophyllotoxone
CAS 477-49-6C22H20O8
4'-Demethylpodophyllotoxone chemical structure, C21H18O8, CAS 93780-84-8
4'-Demethylpodophyllotoxone
CAS 93780-84-8C21H18O8
(5aR,8aR,9R)-9-(3,4-Dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione chemical structure, C20H16O8, CAS 201594-20-9
(5aR,8aR,9R)-9-(3,4-Dihydroxy-5-methoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5,8-dione
CAS 201594-20-9C20H16O8
Picropodopyllotoxone chemical structure, C22H20O8, CAS 477-48-5
Picropodopyllotoxone
CAS 477-48-5C22H20O8
Isopicropodophyllone chemical structure, C22H20O8, CAS 55515-07-6
Isopicropodophyllone
CAS 55515-07-6C22H20O8
(+)-Podophyllotoxone chemical structure, C22H20O8, CAS 1104077-32-8
(+)-Podophyllotoxone
CAS 1104077-32-8C22H20O8