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Murcko scaffold

Ring system with 3 rings and 20 atoms

16 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
16
With full pages
5
Scaffold SMILES

C1CCC(OCC2CCCC(OC3CCCO3)O2)OC1

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(OCC2CCCC(OC3CCCO3)O2)OC1

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

Gentianose chemical structure, C18H32O16, CAS 25954-44-3
Gentianose
CAS 25954-44-3C18H32O16
6''-Carboxyraffinose chemical structure, C18H30O17, CAS 104880-42-4
6''-Carboxyraffinose
CAS 104880-42-4C18H30O17
GlyTouCan:G65859HT chemical structure, C18H32O16, CAS 6227-50-5
GlyTouCan:G65859HT
CAS 6227-50-5C18H32O16
Raffinose chemical structure, C18H32O16, CAS 512-69-6
Raffinose
CAS 512-69-6C18H32O16
Raffinose, pentahydrate chemical structure, C18H42O21, CAS 17629-30-0
Raffinose, pentahydrate
CAS 17629-30-0C18H42O21
Raffinose undecaacetate chemical structure, C40H54O27, CAS 6424-12-0
Raffinose undecaacetate
CAS 6424-12-0C40H54O27
[(2R,3S,4S,5R,6S)-3,4,5-Triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate chemical structure, C40H54O27
[(2R,3S,4S,5R,6S)-3,4,5-Triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
C40H54O27
d-Raffinose undecaacetate chemical structure, C40H54O27
d-Raffinose undecaacetate
C40H54O27
D-(+)-Raffinose undecaacetate chemical structure, C40H54O27
D-(+)-Raffinose undecaacetate
C40H54O27
GlyTouCan:G53245HL chemical structure, C17H30O15, CAS 299178-31-7
GlyTouCan:G53245HL
CAS 299178-31-7C17H30O15
GlyTouCan:G33705PJ chemical structure, C18H32O16, CAS 41545-69-1
GlyTouCan:G33705PJ
CAS 41545-69-1C18H32O16
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, tetradecanoic acid chemical structure, C32H60O18, CAS 91433-10-2
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, tetradecanoic acid
CAS 91433-10-2C32H60O18
Raffinose oleate chemical structure, C36H65O18-, CAS 96352-58-8
Raffinose oleate
CAS 96352-58-8C36H65O18-
Sucralose-6-glucuronic acid chemical structure, C18H27Cl3O14, CAS 290292-13-6
Sucralose-6-glucuronic acid
CAS 290292-13-6C18H27Cl3O14
[(2S,3R,4R,5S,6R)-3,4,5-Triacetyloxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5S)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate chemical structure, C40H54O27, CAS 6462-12-0
[(2S,3R,4R,5S,6R)-3,4,5-Triacetyloxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5S)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CAS 6462-12-0C40H54O27
(2S,3S,4S,5S)-2-{[2-Deoxy-2-(2-oxobutyl)-3,4-di-O-propanoyl-6-O-(2,3,4,6-tetra-O-propanoyl-I+/--D-galactopyranosyl)-I+/--D-glucopyranosyl]oxy}oxolane-2,3,4,5-tetrayl tetrapropanoate chemical structure, C50H74O26, CAS 1053626-55-3
(2S,3S,4S,5S)-2-{[2-Deoxy-2-(2-oxobutyl)-3,4-di-O-propanoyl-6-O-(2,3,4,6-tetra-O-propanoyl-I+/--D-galactopyranosyl)-I+/--D-glucopyranosyl]oxy}oxolane-2,3,4,5-tetrayl tetrapropanoate
CAS 1053626-55-3C50H74O26