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Murcko scaffold

Ring system with 4 rings and 32 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
32
Chemicals
6
With full pages
2
Scaffold SMILES

c1ccc(CC(COC2CCCCO2)C(COC2CCCCO2)Cc2ccccc2)cc1

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 c1ccc(CC(COC2CCCCO2)C(COC2CCCCO2)Cc2ccccc2)cc1

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

Secoisolariciresinol diglucoside chemical structure, C32H46O16, CAS 158932-33-3
Secoisolariciresinol diglucoside
CAS 158932-33-3C32H46O16
(3R,4S,5S,6R)-2-[2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C32H46O16
(3R,4S,5S,6R)-2-[2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C32H46O16
(+)-Secoisolariciresinoldiglucoside chemical structure, C32H46O16, CAS 257930-74-8
(+)-Secoisolariciresinoldiglucoside
CAS 257930-74-8C32H46O16
Npc19578 chemical structure, C32H46O16, CAS 148244-82-0
Npc19578
CAS 148244-82-0C32H46O16
(2S,3R,4S,5S,6R)-2-[(2R,3S)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C32H46O16
(2S,3R,4S,5S,6R)-2-[(2R,3S)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C32H46O16
2-[(2R,3S)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C32H46O16
2-[(2R,3S)-2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C32H46O16