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Murcko scaffold

Ring system with 8 rings and 44 atoms

20 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
44
Chemicals
20
With full pages
10
Scaffold SMILES

O=C1c2ccccc2C(C2c3ccccc3C(=O)c3c(OC4CCCCO4)cccc32)c2cccc(OC3CCCCO3)c21

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=C1c2ccccc2C(C2c3ccccc3C(=O)c3c(OC4CCCCO4)cccc32)c2cccc(OC3CCCCO3)c21

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 20 of 20 chemicals

Sennosides chemical structure, C42H38O20, CAS 85085-71-8
Sennosides
CAS 85085-71-8C42H38O20
Senna chemical structure, C42H38O20, CAS 8013-11-4
Senna
CAS 8013-11-4C42H38O20
Sennoside B chemical structure, C42H38O20, CAS 128-57-4
Sennoside B
CAS 128-57-4C42H38O20
Aloe-emodin dianthrone diglucoside chemical structure, C42H42O18, CAS 99520-79-3
Aloe-emodin dianthrone diglucoside
CAS 99520-79-3C42H42O18
Sennoside chemical structure, C42H38O20, CAS 517-43-1
Sennoside
CAS 517-43-1C42H38O20
9-[2-Carboxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxyoxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid chemical structure, C44H38O23, CAS 11137-63-6
9-[2-Carboxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxyoxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
CAS 11137-63-6C44H38O23
Sennoside C chemical structure, C42H40O19, CAS 37271-16-2
Sennoside C
CAS 37271-16-2C42H40O19
Sennoside D chemical structure, C42H40O19, CAS 37271-17-3
Sennoside D
CAS 37271-17-3C42H40O19
Calcium (R*,R*)-5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylate chemical structure, C42H36CaO20, CAS 62211-03-4
Calcium (R*,R*)-5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylate
CAS 62211-03-4C42H36CaO20
(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, calcium salt, (R*,S*)- chemical structure, C42H36CaO20, CAS 52730-37-7
(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, calcium salt, (R*,S*)-
CAS 52730-37-7C42H36CaO20
(R*,R*)-5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid, calcium salt chemical structure, C42H36CaO20
(R*,R*)-5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid, calcium salt
C42H36CaO20
Sennoside F chemical structure, C44H38O23, CAS 1037532-47-0
Sennoside F
CAS 1037532-47-0C44H38O23
Sennoside A calcium chemical structure, C42H36CaO20, CAS 52730-36-6
Sennoside A calcium
CAS 52730-36-6C42H36CaO20
Sennoside E chemical structure, C44H38O23, CAS 792907-49-4
Sennoside E
CAS 792907-49-4C44H38O23
Sennoside b calciumsalt chemical structure, C42H38CaO20
Sennoside b calciumsalt
C42H38CaO20
(9R)-9-[(9S)-2-Carboxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxyoxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid chemical structure, C44H38O23, CAS 52842-23-6
(9R)-9-[(9S)-2-Carboxy-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxyoxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
CAS 52842-23-6C44H38O23
(9R,9'S)-5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-bianthracene]-2,2'-dicarboxylic acid calcium salt chemical structure, C42H38CaO20
(9R,9'S)-5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-bianthracene]-2,2'-dicarboxylic acid calcium salt
C42H38CaO20
Calcium,3-carboxy-10-[2-carboxy-4-oxido-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-9-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-1-olate chemical structure, C84H74CaO40
Calcium,3-carboxy-10-[2-carboxy-4-oxido-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-9-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-1-olate
C84H74CaO40
Sennoside b calciumsalt chemical structure, C42H36CaO20
Sennoside b calciumsalt
C42H36CaO20
Sennoside A1 chemical structure, C42H38O20, CAS 66575-30-2
Sennoside A1
CAS 66575-30-2C42H38O20