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Murcko scaffold

Ring system with 5 rings and 31 atoms

16 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
16
With full pages
7
Scaffold SMILES

O=C1CC(c2ccccc2)Oc2cc(OC3OCCCC3OC3CCCCO3)ccc21

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=C1CC(c2ccccc2)Oc2cc(OC3OCCCC3OC3CCCCO3)ccc21

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 16 of 16 chemicals

4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)- chemical structure, C27H32O14, CAS 58001-41-5
4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-
CAS 58001-41-5C27H32O14
7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one chemical structure, C27H32O14, CAS 29838-68-4
7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS 29838-68-4C27H32O14
Neoeriocitrin chemical structure, C27H32O15, CAS 13241-32-2
Neoeriocitrin
CAS 13241-32-2C27H32O15
Naringin chemical structure, C27H32O14, CAS 10236-47-2
Naringin
CAS 10236-47-2C27H32O14
Neohesperidin chemical structure, C28H34O15, CAS 13241-33-3
Neohesperidin
CAS 13241-33-3C28H34O15
(2S)-7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one chemical structure, C27H32O13, CAS 13241-31-1
(2S)-7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one
CAS 13241-31-1C27H32O13
Poncirin chemical structure, C28H34O14, CAS 14941-08-3
Poncirin
CAS 14941-08-3C28H34O14
(2R)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chemical structure, C27H32O14
(2R)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
C27H32O14
Naringin hydrate chemical structure, C27H34O15, CAS 132203-74-8
Naringin hydrate
CAS 132203-74-8C27H34O15
Pinocembrin 7-O-neohesperidoside 2'''-O-acetate chemical structure, C29H34O14, CAS 79541-04-1
Pinocembrin 7-O-neohesperidoside 2'''-O-acetate
CAS 79541-04-1C29H34O14
Brutieridin chemical structure, C34H42O19, CAS 1162664-57-4
Brutieridin
CAS 1162664-57-4C34H42O19
(S)-7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one chemical structure, C27H32O15, CAS 888471-94-1
(S)-7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one
CAS 888471-94-1C27H32O15
Naringin 6a(2)a(2)-malonate chemical structure, C30H34O17, CAS 139934-59-1
Naringin 6a(2)a(2)-malonate
CAS 139934-59-1C30H34O17
Naringin 6''-acetate chemical structure, C29H34O15, CAS 139934-60-4
Naringin 6''-acetate
CAS 139934-60-4C29H34O15
7-Neohesperidosides chemical structure, C28H34O16
7-Neohesperidosides
C28H34O16
Flavanone, 3,3',5,7-tetrahydroxy-4'-methoxy-, 7-[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside] chemical structure, C28H34O16, CAS 28383-41-7
Flavanone, 3,3',5,7-tetrahydroxy-4'-methoxy-, 7-[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside]
CAS 28383-41-7C28H34O16