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Murcko scaffold

Ring system with 5 rings and 31 atoms

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
17
With full pages
3
Scaffold SMILES

c1ccc(-c2[o+]c3ccccc3cc2OC2CCCC(COC3CCCCO3)O2)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+]c3ccccc3cc2OC2CCCC(COC3CCCCO3)O2)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 17 of 17 chemicals

Keracyanin chemical structure, C27H31ClO15, CAS 18719-76-1
Keracyanin
CAS 18719-76-1C27H31ClO15
Delphinidin 3-rutinoside chemical structure, C27H31ClO16, CAS 15674-58-5
Delphinidin 3-rutinoside
CAS 15674-58-5C27H31ClO16
Keracyanin cation chemical structure, C27H31O15+, CAS 28338-59-2
Keracyanin cation
CAS 28338-59-2C27H31O15+
Pelargonidin 3-O-rutinoside chemical structure, C27H31O14+, CAS 56054-42-3
Pelargonidin 3-O-rutinoside
CAS 56054-42-3C27H31O14+
Delphinidin 3-O-rutinoside chemical structure, C27H31O16+, CAS 58285-26-0
Delphinidin 3-O-rutinoside
CAS 58285-26-0C27H31O16+
2-(3,4-Dihydroxyphenyl)-3-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-1-benzopyrylium chemical structure, C27H31O16+, CAS 47845-44-3
2-(3,4-Dihydroxyphenyl)-3-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-1-benzopyrylium
CAS 47845-44-3C27H31O16+
Mecocyanin chemical structure, C27H31ClO16, CAS 4453-78-5
Mecocyanin
CAS 4453-78-5C27H31ClO16
Pelargonidin-3-O-rutinoside chloride chemical structure, C27H31ClO14
Pelargonidin-3-O-rutinoside chloride
C27H31ClO14
Pelargonidin-3-O-rutinosde chloride chemical structure, C27H31ClO14, CAS 33978-17-5
Pelargonidin-3-O-rutinosde chloride
CAS 33978-17-5C27H31ClO14
Peonidin 3-rutinoside chemical structure, C28H33ClO15, CAS 27539-32-8
Peonidin 3-rutinoside
CAS 27539-32-8C28H33ClO15
Peonidin 3-O-rutinoside chemical structure, C28H33O15+, CAS 218290-50-7
Peonidin 3-O-rutinoside
CAS 218290-50-7C28H33O15+
Petunidin 3-rutinoside chemical structure, C28H33O16+, CAS 39824-84-5
Petunidin 3-rutinoside
CAS 39824-84-5C28H33O16+
Cyanidin 3-glucogalactoside chemical structure, C27H31O16+, CAS 142562-01-4
Cyanidin 3-glucogalactoside
CAS 142562-01-4C27H31O16+
Pelargonidin-3-rutinosid chemical structure, C27H31ClO14
Pelargonidin-3-rutinosid
C27H31ClO14
Pelargonidin 3-rutinoside chemical structure, C27H31ClO14
Pelargonidin 3-rutinoside
C27H31ClO14
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride chemical structure, C29H35ClO16, CAS 39824-82-3
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride
CAS 39824-82-3C29H35ClO16
(2R,3R,4R,5R,6S)-2-[[(2S,3R,4R,5S,6R)-6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride chemical structure, C27H31ClO15, CAS 65941-77-7
(2R,3R,4R,5R,6S)-2-[[(2S,3R,4R,5S,6R)-6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride
CAS 65941-77-7C27H31ClO15