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Murcko scaffold

Ring system with 4 rings and 23 atoms

9 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 23
Chemicals: 9
With full pages: 5

Scaffold SMILES

O=c1c(-c2ccccc2)coc2c(C3CCCCO3)cccc12

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=c1c(-c2ccccc2)coc2c(C3CCCCO3)cccc12

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 9 of 9 chemicals

Genistein 8-C-glucoside chemical structure, C21H20O10, CAS 66026-80-0

Genistein 8-C-glucoside

CAS 66026-80-0C₂₁H₂₀O₁₀

Puerarin chemical structure, C21H20O9, CAS 3681-99-0

CAS 3681-99-0C₂₁H₂₀O₉

3'-Methoxypuerarin chemical structure, C22H22O10, CAS 117047-07-1

3'-Methoxypuerarin

CAS 117047-07-1C₂₂H₂₂O₁₀

4'-Methoxypuerarin chemical structure, C22H22O9, CAS 92117-94-7

4'-Methoxypuerarin

CAS 92117-94-7C₂₂H₂₂O₉

7-Hydroxy-3-(4-hydroxyphenyl)-8-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one chemical structure, C21H20O9, CAS 1214050-08-4

7-Hydroxy-3-(4-hydroxyphenyl)-8-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one

CAS 1214050-08-4C₂₁H₂₀O₉

3'-Hydroxypuerarin chemical structure, C21H20O10, CAS 117060-54-5

3'-Hydroxypuerarin

CAS 117060-54-5C₂₁H₂₀O₁₀

3-(4-Hydroxyphenyl)-7-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one chemical structure, C22H22O9, CAS 615275-47-3

3-(4-Hydroxyphenyl)-7-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

CAS 615275-47-3C₂₂H₂₂O₉

Dalpaniculin chemical structure, C25H28O13, CAS 133956-26-0

CAS 133956-26-0C₂₅H₂₈O₁₃

Dalpanitin chemical structure, C22H22O11, CAS 40522-83-6

CAS 40522-83-6C₂₂H₂₂O₁₁