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Murcko scaffold

Ring system with 4 rings and 26 atoms

6 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 26
Chemicals: 6
With full pages: 2

Scaffold SMILES

O=c1cc(-c2ccc(OCCc3ccccc3)cc2)oc2ccccc12

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(-c2ccc(OCCc3ccccc3)cc2)oc2ccccc12

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

rel-2-[4-[(1R,2R)-1-[(Acetyloxy)methyl]-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3,5-dimethoxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one chemical structure, C29H28O12, CAS 910864-92-5

rel-2-[4-[(1R,2R)-1-[(Acetyloxy)methyl]-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3,5-dimethoxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS 910864-92-5C₂₉H₂₈O₁₂

5,7-Dihydroxy-2-(4-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy)-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one chemical structure, C27H26O11, CAS 908356-48-9

5,7-Dihydroxy-2-(4-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy)-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one

CAS 908356-48-9C₂₇H₂₆O₁₁

Tricin 4'-O-(erythro-beta-guaiacylglyceryl) ether chemical structure, C27H26O11, CAS 369390-52-3

Tricin 4'-O-(erythro-beta-guaiacylglyceryl) ether

CAS 369390-52-3C₂₇H₂₆O₁₁

Salcolin A chemical structure, C27H26O11, CAS 369390-51-2

CAS 369390-51-2C₂₇H₂₆O₁₁

(-)-(7''s,8''s)-4'',5,7-Trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol chemical structure, C26H24O10, CAS 1292294-31-5

(-)-(7''s,8''s)-4'',5,7-Trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol

CAS 1292294-31-5C₂₆H₂₄O₁₀

Calquiquelignan D chemical structure, C26H24O10, CAS 1928715-38-1

Calquiquelignan D

CAS 1928715-38-1C₂₆H₂₄O₁₀