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Murcko scaffold

Ring system with 3 rings and 26 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
26
Chemicals
6
With full pages
2
Scaffold SMILES

c1ccc(CCCCC(CCc2ccccc2)OC2CCCCO2)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(CCCCC(CCc2ccccc2)OC2CCCCO2)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

(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyl)heptan-3-ol chemical structure, C25H34O10, CAS 211126-58-8
(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyl)heptan-3-ol
CAS 211126-58-8C25H34O10
(2R,3R,4S,5S,6R)-2-[(3R,5R)-1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C25H34O11, CAS 408324-05-0
(2R,3R,4S,5S,6R)-2-[(3R,5R)-1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CAS 408324-05-0C25H34O11
Aceroside VII chemical structure, C25H34O8
Aceroside VII
C25H34O8
(2r,3r,4s,5s,6r)-2-[1,7-Bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C25H34O8, CAS 104109-45-7
(2r,3r,4s,5s,6r)-2-[1,7-Bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS 104109-45-7C25H34O8
(2S,3S,4R,5R,6S)-2-[1,7-Bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C25H34O8
(2S,3S,4R,5R,6S)-2-[1,7-Bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C25H34O8
(3R,5R)-1,7-Bis(3,4-dihydroxyphenyl)heptane-3,5-diol 3-O-glucoside chemical structure, C25H34O11
(3R,5R)-1,7-Bis(3,4-dihydroxyphenyl)heptane-3,5-diol 3-O-glucoside
C25H34O11