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Murcko scaffold

Ring system with 4 rings and 23 atoms

26 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
26
With full pages
8
Scaffold SMILES

O=C1c2ccccc2C(=O)c2c(OC3CCCCO3)cccc21

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(=O)c2c(OC3CCCCO3)cccc21

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 26 of 26 chemicals

Emodin-8-glucoside chemical structure, C21H20O10, CAS 23313-21-5
Emodin-8-glucoside
CAS 23313-21-5C21H20O10
Rhein 8-beta-D-Glucuronide chemical structure, C21H16O12, CAS 70793-10-1
Rhein 8-beta-D-Glucuronide
CAS 70793-10-1C21H16O12
9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl- chemical structure, C21H20O9, CAS 71973-18-7
9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl-
CAS 71973-18-7C21H20O9
9,10-Anthracenedione, 1-(alpha-L-arabinopyranosyloxy)-3,8-dihydroxy-6-methyl- chemical structure, C20H18O9, CAS 82780-62-9
9,10-Anthracenedione, 1-(alpha-L-arabinopyranosyloxy)-3,8-dihydroxy-6-methyl-
CAS 82780-62-9C20H18O9
Rheochrysin chemical structure, C22H22O10, CAS 1329-27-7
Rheochrysin
CAS 1329-27-7C22H22O10
Pulmatin chemical structure, C21H20O9, CAS 13241-28-6
Pulmatin
CAS 13241-28-6C21H20O9
9,10-Anthracenedione, 1-(alpha-D-glucopyranosyloxy)-8-hydroxy- chemical structure, C20H18O9, CAS 59952-41-9
9,10-Anthracenedione, 1-(alpha-D-glucopyranosyloxy)-8-hydroxy-
CAS 59952-41-9C20H18O9
Nodososide chemical structure, C22H22O11, CAS 31843-68-2
Nodososide
CAS 31843-68-2C22H22O11
Aloe-emodin 8-O-beta-D-glucopyranoside chemical structure, C21H20O10, CAS 33037-46-6
Aloe-emodin 8-O-beta-D-glucopyranoside
CAS 33037-46-6C21H20O10
Physcion 1-O-beta-D-glucoside chemical structure, C22H22O10, CAS 26296-54-8
Physcion 1-O-beta-D-glucoside
CAS 26296-54-8C22H22O10
Emodin 1-O-beta-D-glucoside chemical structure, C21H20O10, CAS 38840-23-2
Emodin 1-O-beta-D-glucoside
CAS 38840-23-2C21H20O10
Rhein 8-O-beta-D-glucopyranoside chemical structure, C21H18O11, CAS 34298-86-7
Rhein 8-O-beta-D-glucopyranoside
CAS 34298-86-7C21H18O11
Chrysophanein chemical structure, C21H20O9, CAS 4839-60-5
Chrysophanein
CAS 4839-60-5C21H20O9
6,8-Dihydroxy-3-methyl-1-anthraquinonyl 6-deoxymannopyranoside alpha-L- chemical structure, C21H20O9, CAS 5088-74-4
6,8-Dihydroxy-3-methyl-1-anthraquinonyl 6-deoxymannopyranoside alpha-L-
CAS 5088-74-4C21H20O9
Danthron glucoside chemical structure, C20H18O9, CAS 53797-18-5
Danthron glucoside
CAS 53797-18-5C20H18O9
Chrysophanol-8-O-beta-D-(6'-O-malonyl)glucoside chemical structure, C24H22O12, CAS 205107-13-7
Chrysophanol-8-O-beta-D-(6'-O-malonyl)glucoside
CAS 205107-13-7C24H22O12
Quinizarin monoglucoside tetraacetate chemical structure, C28H26O13, CAS 69657-90-5
Quinizarin monoglucoside tetraacetate
CAS 69657-90-5C28H26O13
1-(beta-D-Glucopyranosyloxy)-4-hydroxy-9,10-anthracenedione chemical structure, C20H18O9, CAS 39115-11-2
1-(beta-D-Glucopyranosyloxy)-4-hydroxy-9,10-anthracenedione
CAS 39115-11-2C20H18O9
1-Hydroxy-4-[(oxan-2-yl)oxy]anthracene-9,10-dione chemical structure, C19H16O5, CAS 591733-99-2
1-Hydroxy-4-[(oxan-2-yl)oxy]anthracene-9,10-dione
CAS 591733-99-2C19H16O5
Chrysazin monoglucoside tetraacetate chemical structure, C28H26O13, CAS 60197-68-4
Chrysazin monoglucoside tetraacetate
CAS 60197-68-4C28H26O13
2-Acetyl-8-(beta-D-glucopyranosyloxy)-1,6-dihydroxy-3-methylanthracene-9,10-dione chemical structure, C23H22O11, CAS 61362-11-6
2-Acetyl-8-(beta-D-glucopyranosyloxy)-1,6-dihydroxy-3-methylanthracene-9,10-dione
CAS 61362-11-6C23H22O11
1-Hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione, 1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione chemical structure, C44H44O20, CAS 29013-18-1
1-Hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione, 1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
CAS 29013-18-1C44H44O20
8-(I(2)-D-Glucopyranosyloxy)-1,3,5-trihydroxy-6-methoxy-2-methyl-9,10-anthracenedione chemical structure, C22H22O12, CAS 101508-15-0
8-(I(2)-D-Glucopyranosyloxy)-1,3,5-trihydroxy-6-methoxy-2-methyl-9,10-anthracenedione
CAS 101508-15-0C22H22O12
Physcion-8-O-(6'-O-malonyl)-glucoside chemical structure, C25H24O13, CAS 1345826-33-6
Physcion-8-O-(6'-O-malonyl)-glucoside
CAS 1345826-33-6C25H24O13