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Murcko scaffold

Ring system with 5 rings and 30 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
12
With full pages
3
Scaffold SMILES

c1ccc(-c2[o+]c3ccccc3cc2OC2OCCCC2OC2CCCCO2)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(-c2[o+]c3ccccc3cc2OC2OCCCC2OC2CCCCO2)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 12 of 12 chemicals

Delphinidin 3-rhamnoglucoside chloride chemical structure, C27H31ClO16, CAS 29732-48-7
Delphinidin 3-rhamnoglucoside chloride
CAS 29732-48-7C27H31ClO16
Cyanidin 3-sambubioside chemical structure, C26H29ClO15, CAS 33012-73-6
Cyanidin 3-sambubioside
CAS 33012-73-6C26H29ClO15
Cyanidin 3-O-beta-D-sambubioside chemical structure, C26H29O15+, CAS 63535-17-1
Cyanidin 3-O-beta-D-sambubioside
CAS 63535-17-1C26H29O15+
Delphinidin 3-sambubioside chemical structure, C26H29O16+, CAS 53158-73-9
Delphinidin 3-sambubioside
CAS 53158-73-9C26H29O16+
Cyanidin 3-O-sophoroside chemical structure, C27H31O16+, CAS 38820-68-7
Cyanidin 3-O-sophoroside
CAS 38820-68-7C27H31O16+
Cyanidin-3-O-sophoroside chemical structure, C27H31O16+
Cyanidin-3-O-sophoroside
C27H31O16+
Cyanidin 3-sophoroside chloride chemical structure, C27H31ClO16, CAS 18376-31-3
Cyanidin 3-sophoroside chloride
CAS 18376-31-3C27H31ClO16
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1) chemical structure, C27H31ClO16
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1)
C27H31ClO16
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C27H31O16+
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
C27H31O16+
Pelargonidin 3-O-sophoroside chemical structure, C27H31O15+, CAS 34365-81-6
Pelargonidin 3-O-sophoroside
CAS 34365-81-6C27H31O15+
Cyanidin 3-lathyroside chemical structure, C26H29O15+, CAS 31073-32-2
Cyanidin 3-lathyroside
CAS 31073-32-2C26H29O15+
Orb1942182 chemical structure, C27H31ClO17, CAS 59212-40-7
Orb1942182
CAS 59212-40-7C27H31ClO17