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Murcko scaffold

Ring system with 5 rings and 39 atoms

11 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
39
Chemicals
11
With full pages
6
Scaffold SMILES

O=C(C=Cc1cccc2c1C(C(=O)OCCc1ccccc1)C(c1ccccc1)O2)OCCc1ccccc1

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=Cc1cccc2c1C(C(=O)OCCc1ccccc1)C(c1ccccc1)O2)OCCc1ccccc1

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 11 of 11 chemicals

Npc167932 chemical structure, C36H30O16
Npc167932
C36H30O16
Npc325794 chemical structure, C36H30O16, CAS 930573-88-9
Npc325794
CAS 930573-88-9C36H30O16
Npc236722 chemical structure, C36H28MgO16, CAS 122021-74-3
Npc236722
CAS 122021-74-3C36H28MgO16
2-((2S,3S)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-enyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzo[b]furan-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid chemical structure, C36H30O16
2-((2S,3S)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-enyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzo[b]furan-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
C36H30O16
Salvianolic acid B chemical structure, C36H30O16, CAS 121521-90-2
Salvianolic acid B
CAS 121521-90-2C36H30O16
Dimethyl lithospermate B chemical structure, C38H34O16, CAS 875313-64-7
Dimethyl lithospermate B
CAS 875313-64-7C38H34O16
Salvianolic-acid-B chemical structure, C36H30O16, CAS 115939-25-8
Salvianolic-acid-B
CAS 115939-25-8C36H30O16
(2R)-2-[(E)-3-[(3S)-3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid chemical structure, C36H30O16
(2R)-2-[(E)-3-[(3S)-3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
C36H30O16
9'''-Methyl salvianolate B chemical structure, C37H32O16, CAS 1167424-32-9
9'''-Methyl salvianolate B
CAS 1167424-32-9C37H32O16
Orb1681759 chemical structure, C36H30O16, CAS 1638738-76-7
Orb1681759
CAS 1638738-76-7C36H30O16
Salvianolic acid Y chemical structure, C36H30O16
Salvianolic acid Y
C36H30O16