CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 24 atoms

31 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
24
Chemicals
31
With full pages
19
Scaffold SMILES

C=C1CC23CCC4CCC(OC5CCCCO5)CC4C2CCC1C3

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 C=C1CC23CCC4CCC(OC5CCCCO5)CC4C2CCC1C3

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 31 of 31 chemicals

Gummiferin chemical structure, C31H44K2O18S2, CAS 35988-26-2
Gummiferin
CAS 35988-26-2C31H44K2O18S2
Carboxyatractyloside potassium salt chemical structure, C31H46O18S2, CAS 77228-71-8
Carboxyatractyloside potassium salt
CAS 77228-71-8C31H46O18S2
Atractyloside chemical structure, C30H44K2O16S2, CAS 17754-44-8
Atractyloside
CAS 17754-44-8C30H44K2O16S2
Atractyloside potassium salt chemical structure, C30H44K2O16S2
Atractyloside potassium salt
C30H44K2O16S2
Atractyloside potassium chemical structure, C30H44K2O16S2
Atractyloside potassium
C30H44K2O16S2
Sylviside chemical structure, C31H44O12, CAS 869647-02-9
Sylviside
CAS 869647-02-9C31H44O12
Orb1222923 chemical structure, C30H44K2O16S2
Orb1222923
C30H44K2O16S2
Atractylin (C30 glucoside) chemical structure, C30H44K2O16S2, CAS 102130-43-8
Atractylin (C30 glucoside)
CAS 102130-43-8C30H44K2O16S2
2-(Hydroxymethyl)-6-[(15-hydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]oxane-3,4,5-triol chemical structure, C26H42O7, CAS 34336-00-0
2-(Hydroxymethyl)-6-[(15-hydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]oxane-3,4,5-triol
CAS 34336-00-0C26H42O7
Dipotassium, [(2R,3R,4R,5R)-6-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-2-(hydroxymethyl)-5-(3-methylbutanoyloxy)-4-sulfonatooxyoxan-3-yl] sulfate chemical structure, C30H44K2O16S2
Dipotassium, [(2R,3R,4R,5R)-6-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-2-(hydroxymethyl)-5-(3-methylbutanoyloxy)-4-sulfonatooxyoxan-3-yl] sulfate
C30H44K2O16S2
Gummiferin chemical structure, C31H46O18S2, CAS 33286-30-5
Gummiferin
CAS 33286-30-5C31H46O18S2
Atractylic acid chemical structure, C30H46O16S2, CAS 1398-13-6
Atractylic acid
CAS 1398-13-6C30H46O16S2
(2I(2),15I+/-)-15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-I+/--D-glucopyranosyl]oxy]-Kaur-16-ene-18,19-dioic acid chemical structure, C31H46O18S2
(2I(2),15I+/-)-15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-I+/--D-glucopyranosyl]oxy]-Kaur-16-ene-18,19-dioic acid
C31H46O18S2
Atractyloside sodium salt chemical structure, C30H44Na2O16S2
Atractyloside sodium salt
C30H44Na2O16S2
Carboxyatractyloside dipotassium chemical structure, C31H44K2O18S2
Carboxyatractyloside dipotassium
C31H44K2O18S2
(1R,7S,9R,10S,13S,15S)-15-Hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid chemical structure, C31H46O18S2
(1R,7S,9R,10S,13S,15S)-15-Hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
C31H46O18S2
6beta,15alpha-Dihydroxy-5beta,8alpha,9beta,10alpha,13alpha-kaur-16-en-2beta-yl beta-D-glucopyranoside chemical structure, C26H42O8, CAS 53452-35-0
6beta,15alpha-Dihydroxy-5beta,8alpha,9beta,10alpha,13alpha-kaur-16-en-2beta-yl beta-D-glucopyranoside
CAS 53452-35-0C26H42O8
Dipotassium, [(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9S,10S,13S,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate chemical structure, C30H44K2O16S2
Dipotassium, [(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9S,10S,13S,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
C30H44K2O16S2
Carboxyatractyloside potassium salt - Bio-X trade mark chemical structure, C31H46O18S2
Carboxyatractyloside potassium salt - Bio-X trade mark
C31H46O18S2
Disodium, [(2R,3R,4R,5R,6R)-2-[[(4R,5R,7R,9R,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate chemical structure, C30H44Na2O16S2
Disodium, [(2R,3R,4R,5R,6R)-2-[[(4R,5R,7R,9R,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
C30H44Na2O16S2
Carboxyatractyloside (potassium salt) chemical structure, C31H44K2O18S2, CAS 35988-42-2
Carboxyatractyloside (potassium salt)
CAS 35988-42-2C31H44K2O18S2
Sodium atractylate chemical structure, C30H44Na2O16S2, CAS 100938-11-2
Sodium atractylate
CAS 100938-11-2C30H44Na2O16S2
Dipotassium, [(2S,3R,4S,5R,6S)-2-[[(1R,4S,5S,7R,9S,10R,13R,15R)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate chemical structure, C30H44K2O16S2
Dipotassium, [(2S,3R,4S,5R,6S)-2-[[(1R,4S,5S,7R,9S,10R,13R,15R)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
C30H44K2O16S2
Compound NP-023203 chemical structure, C30H46O10, CAS 68711-84-2
Compound NP-023203
CAS 68711-84-2C30H46O10