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Murcko scaffold

Ring system with 4 rings and 26 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
10
With full pages
0
Scaffold SMILES

C1CCC(OC2OCCC2OC2CCC(OC3CCCCO3)CO2)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(OC2OCCC2OC2CCC(OC3CCCCO3)CO2)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 10 of 10 chemicals

1-[2-[4-Formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine chemical structure, C27H49N7O17
1-[2-[4-Formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
C27H49N7O17
Streptomycin B sulfate chemical structure, C27H51N7O21S, CAS 7142-95-2
Streptomycin B sulfate
CAS 7142-95-2C27H51N7O21S
2-[(1R,2R,3S,4R,5R)-3-(Diaminomethylideneamino)-4-[(2R,3R,4R,5S)-4-formyl-4-hydroxy-3-[(2S,3S,4S,5R,6S)-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, tris((2S)-5-oxopyrrolidine-2-carboxylic acid) chemical structure, C42H70N10O26, CAS 93940-94-4
2-[(1R,2R,3S,4R,5R)-3-(Diaminomethylideneamino)-4-[(2R,3R,4R,5S)-4-formyl-4-hydroxy-3-[(2S,3S,4S,5R,6S)-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine, tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CAS 93940-94-4C42H70N10O26
Streptomycin B chemical structure, C27H49N7O17, CAS 128-45-0
Streptomycin B
CAS 128-45-0C27H49N7O17
2-[3-(Diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine chemical structure, C27H49N7O18, CAS 28979-71-7
2-[3-(Diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
CAS 28979-71-7C27H49N7O18
D-Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-5-deoxy-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-2-deoxy- chemical structure, C27H49N7O16, CAS 61695-96-3
D-Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-5-deoxy-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-2-deoxy-
CAS 61695-96-3C27H49N7O16
D-Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-3-C-(hydroxymethyl)-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)- chemical structure, C27H51N7O18, CAS 28909-88-8
D-Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-3-C-(hydroxymethyl)-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-
CAS 28909-88-8C27H51N7O18
Streptomycin B, deoxydihydro- chemical structure, C27H51N7O16, CAS 108040-86-4
Streptomycin B, deoxydihydro-
CAS 108040-86-4C27H51N7O16
D-Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-5-deoxy-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-, trihydrochloride, monohydrate chemical structure, C27H54Cl3N7O18, CAS 6160-40-3
D-Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-5-deoxy-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-, trihydrochloride, monohydrate
CAS 6160-40-3C27H54Cl3N7O18
Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-diamidino-, tri-2-naphthalenesulfonate (salt), D- chemical structure, C57H73N7O27S3, CAS 20832-19-3
Streptamine, O-I(2)-D-mannopyranosyl-(1a4)-O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-diamidino-, tri-2-naphthalenesulfonate (salt), D-
CAS 20832-19-3C57H73N7O27S3