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Murcko scaffold

Ring system with 21 rings and 49 atoms

147 chemicals on CompoundList share this ring system.

Rings
21
Scaffold atoms
49
Chemicals
147
With full pages
11
Scaffold SMILES

C1CC2OCC1OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)O2

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 C1CC2OCC1OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)OC1CCC(CO1)O2

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 48 of 147 chemicals

Cyclomaltoheptaose-1-adamantanemethanol chemical structure, C53H94O39, CAS 101412-93-5
Cyclomaltoheptaose-1-adamantanemethanol
CAS 101412-93-5C53H94O39
6-Deoxy-6-fluorocyclomaltoheptaose chemical structure, C42H69FO34, CAS 99552-37-1
6-Deoxy-6-fluorocyclomaltoheptaose
CAS 99552-37-1C42H69FO34
2,3,6-Tri-O-methyl-beta-cyclodextrin chemical structure, C63H112O35, CAS 55216-11-0
2,3,6-Tri-O-methyl-beta-cyclodextrin
CAS 55216-11-0C63H112O35
beta-Cyclodextrin-benzaldehyde chemical structure, C49H76O36, CAS 64691-57-2
beta-Cyclodextrin-benzaldehyde
CAS 64691-57-2C49H76O36
2-Benzyloxycarbonylphenyl trans-4-guanidinomethylcyclohexanecarboxylate-cyclodextrin chemical structure, C65H98ClN3O39, CAS 91574-91-3
2-Benzyloxycarbonylphenyl trans-4-guanidinomethylcyclohexanecarboxylate-cyclodextrin
CAS 91574-91-3C65H98ClN3O39
Heptakis(2,6-diethyl)beta-cyclodextrin chemical structure, C70H126O35, CAS 111689-03-3
Heptakis(2,6-diethyl)beta-cyclodextrin
CAS 111689-03-3C70H126O35
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,1,3,3,5-pentamethylazepan-1-ium, iodide chemical structure, C53H94INO35, CAS 98458-66-3
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,1,3,3,5-pentamethylazepan-1-ium, iodide
CAS 98458-66-3C53H94INO35
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,6-tetramethyl-1-prop-2-enylazepan-1-ium, bromide chemical structure, C55H96BrNO35, CAS 98458-69-6
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,6-tetramethyl-1-prop-2-enylazepan-1-ium, bromide
CAS 98458-69-6C55H96BrNO35
1-Benzyl-1,3,3,5-tetramethylazepan-1-ium, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, chloride chemical structure, C59H98ClNO35, CAS 98458-70-9
1-Benzyl-1,3,3,5-tetramethylazepan-1-ium, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, chloride
CAS 98458-70-9C59H98ClNO35
1-(4-Bromobutyl)-3,3,6-trimethylazepane, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol chemical structure, C55H96BrNO35, CAS 98458-72-1
1-(4-Bromobutyl)-3,3,6-trimethylazepane, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CAS 98458-72-1C55H96BrNO35
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,6,6-pentamethyl-6-azoniabicyclo[3.2.1]octane, iodide chemical structure, C54H94INO35, CAS 98458-73-2
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,6,6-pentamethyl-6-azoniabicyclo[3.2.1]octane, iodide
CAS 98458-73-2C54H94INO35
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane, hydroiodide chemical structure, C53H92INO35, CAS 98458-74-3
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane, hydroiodide
CAS 98458-74-3C53H92INO35
6-Ethyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, hydroiodide chemical structure, C54H94INO35, CAS 98458-75-4
6-Ethyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, hydroiodide
CAS 98458-75-4C54H94INO35
1-Ethyl-1,3,3,5-tetramethylazepan-1-ium, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, iodide chemical structure, C54H96INO35, CAS 98480-89-8
1-Ethyl-1,3,3,5-tetramethylazepan-1-ium, (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, iodide
CAS 98480-89-8C54H96INO35
Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin chemical structure, C84H154O35, CAS 111689-01-1
Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin
CAS 111689-01-1C84H154O35
beta-Cyclodextrin chemical structure, C42H70O35, CAS 7585-39-9
beta-Cyclodextrin
CAS 7585-39-9C42H70O35
Cyclodextrin, hydrogen sulfate (9CI) chemical structure, C42H70O98S21, CAS 134195-17-8
Cyclodextrin, hydrogen sulfate (9CI)
CAS 134195-17-8C42H70O98S21
beta-Cyclodextrin tetradecasulfate chemical structure, C42H70O77S14, CAS 121369-51-5
beta-Cyclodextrin tetradecasulfate
CAS 121369-51-5C42H70O77S14
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,5-tetramethylazepane, hydroiodide chemical structure, C52H92INO35, CAS 98458-67-4
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol, 1,3,3,5-tetramethylazepane, hydroiodide
CAS 98458-67-4C52H92INO35
beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)- chemical structure, C45H76O36, CAS 130981-23-6
beta-Cyclodextrin, 2A-O-(2-hydroxypropyl)-, (S)-
CAS 130981-23-6C45H76O36
Succinyl-beta-cyclodextrin chemical structure, C71H100O55
Succinyl-beta-cyclodextrin
C71H100O55
Vts-270 chemical structure, C63H112O42
Vts-270
C63H112O42
Hydroxyethyl-|A-cyclodextrin chemical structure, C84H154O56, CAS 98513-20-3
Hydroxyethyl-|A-cyclodextrin
CAS 98513-20-3C84H154O56
Agn-PC-0LP1QD chemical structure, C42H70O34, CAS 7227-22-7
Agn-PC-0LP1QD
CAS 7227-22-7C42H70O34