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Murcko scaffold

Ring system with 4 rings and 22 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
8
With full pages
1
Scaffold SMILES

O=c1oc2cc(OC3CCCCO3)ccc2c2ccccc12

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=c1oc2cc(OC3CCCCO3)ccc2c2ccccc12

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 8 of 8 chemicals

Urolithin B 3-O-glucuronide chemical structure, C19H16O9, CAS 823806-74-2
Urolithin B 3-O-glucuronide
CAS 823806-74-2C19H16O9
Urolithin a 3-glucuronide chemical structure, C19H16O10, CAS 531512-27-3
Urolithin a 3-glucuronide
CAS 531512-27-3C19H16O10
3-O-beta-D-Glucopyranosyl Alternariol chemical structure, C20H20O10, CAS 1642128-76-4
3-O-beta-D-Glucopyranosyl Alternariol
CAS 1642128-76-4C20H20O10
3-Oxo-3-[[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-(7-hydroxy-9-methoxy-1-methyl-6-oxobenzo[c]chromen-3-yl)oxyoxan-2-yl]methoxy]propanoic acid chemical structure, C24H24O13, CAS 1779520-71-6
3-Oxo-3-[[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-(7-hydroxy-9-methoxy-1-methyl-6-oxobenzo[c]chromen-3-yl)oxyoxan-2-yl]methoxy]propanoic acid
CAS 1779520-71-6C24H24O13
3-[(3R,4R,5S,6S)-4,5-Dihydroxy-6-(7-hydroxy-9-methoxy-1-methyl-6-oxobenzo[c]chromen-3-yl)oxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid chemical structure, C24H24O13, CAS 1779520-72-7
3-[(3R,4R,5S,6S)-4,5-Dihydroxy-6-(7-hydroxy-9-methoxy-1-methyl-6-oxobenzo[c]chromen-3-yl)oxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid
CAS 1779520-72-7C24H24O13
7,9-Dihydroxy-1-methyl-3-[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[c]chromen-6-one chemical structure, C20H20O10
7,9-Dihydroxy-1-methyl-3-[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[c]chromen-6-one
C20H20O10
7-Hydroxy-9-methoxy-1-methyl-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[c]chromen-6-one chemical structure, C21H22O10, CAS 1422465-59-5
7-Hydroxy-9-methoxy-1-methyl-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[c]chromen-6-one
CAS 1422465-59-5C21H22O10
Methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(6-oxobenzo[c]chromen-3-yl)oxyoxane-2-carboxylate chemical structure, C26H24O12, CAS 1185745-11-2
Methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(6-oxobenzo[c]chromen-3-yl)oxyoxane-2-carboxylate
CAS 1185745-11-2C26H24O12