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Murcko scaffold

Ring system with 3 rings and 19 atoms

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
18
With full pages
3
Scaffold SMILES

O=C(CCc1ccc2c(c1)OCO2)c1ccccc1

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=C(CCc1ccc2c(c1)OCO2)c1ccccc1

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 18 of 18 chemicals

3-(1,3-Benzodioxol-5-yl)-4-nitro-1-phenylbutan-1-one chemical structure, C17H15NO5, CAS 6947-83-7
3-(1,3-Benzodioxol-5-yl)-4-nitro-1-phenylbutan-1-one
CAS 6947-83-7C17H15NO5
2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile chemical structure, C19H17NO5, CAS 51116-23-5
2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
CAS 51116-23-5C19H17NO5
2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid chemical structure, C19H18O7, CAS 51116-24-6
2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
CAS 51116-24-6C19H18O7
2-(1,3-Benzodioxol-5-yl)-4-(4-chlorophenyl)-4-oxobutanenitrile chemical structure, C17H12ClNO3, CAS 7504-98-5
2-(1,3-Benzodioxol-5-yl)-4-(4-chlorophenyl)-4-oxobutanenitrile
CAS 7504-98-5C17H12ClNO3
Propanedinitrile, [1-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylpropyl]- chemical structure, C19H14N2O3, CAS 199390-81-3
Propanedinitrile, [1-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylpropyl]-
CAS 199390-81-3C19H14N2O3
Methyl 2-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4-oxobutanoate chemical structure, C18H15FO5, CAS 329701-58-8
Methyl 2-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4-oxobutanoate
CAS 329701-58-8C18H15FO5
3-(1,3-Benzodioxol-5-yl)-1-(4-chlorophenyl)-3-[(2-hydroxyethyl)sulfanyl]propan-1-one chemical structure, C18H17ClO4S, CAS 380217-29-8
3-(1,3-Benzodioxol-5-yl)-1-(4-chlorophenyl)-3-[(2-hydroxyethyl)sulfanyl]propan-1-one
CAS 380217-29-8C18H17ClO4S
2-(1,3-Benzodioxol-5-yl)-4-(4-fluorophenyl)-4-oxobutanenitrile chemical structure, C17H12FNO3, CAS 329701-01-1
2-(1,3-Benzodioxol-5-yl)-4-(4-fluorophenyl)-4-oxobutanenitrile
CAS 329701-01-1C17H12FNO3
2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone chemical structure, C19H20O6, CAS 622851-66-5
2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone
CAS 622851-66-5C19H20O6
Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate chemical structure, C21H21NO8, CAS 173864-45-4
Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate
CAS 173864-45-4C21H21NO8
2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone chemical structure, C17H16O6, CAS 121781-36-0
2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
CAS 121781-36-0C17H16O6
Ponganone VII chemical structure, C18H18O5, CAS 142608-93-3
Ponganone VII
CAS 142608-93-3C18H18O5
Dihydromilletenone methyl ether chemical structure, C19H20O6, CAS 96400-40-7
Dihydromilletenone methyl ether
CAS 96400-40-7C19H20O6
Acetic acid, (4-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-3,5-dihydroxyphenoxy)-, monosodium salt chemical structure, C18H15NaO8, CAS 70412-99-6
Acetic acid, (4-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-3,5-dihydroxyphenoxy)-, monosodium salt
CAS 70412-99-6C18H15NaO8
3-(1,3-Benzodioxol-5-yl)-1-(2,4,6-trihydroxyphenyl)-1-propanone chemical structure, C16H14O6, CAS 206194-38-9
3-(1,3-Benzodioxol-5-yl)-1-(2,4,6-trihydroxyphenyl)-1-propanone
CAS 206194-38-9C16H14O6
8K5Gtt32FJ chemical structure, C21H21NO8, CAS 209164-41-0
8K5Gtt32FJ
CAS 209164-41-0C21H21NO8
MJ9Dca8J8C chemical structure, C21H21NO8, CAS 209164-42-1
MJ9Dca8J8C
CAS 209164-42-1C21H21NO8
3-(1,3-Benzodioxol-5-yl)-2,3-dibromo-1-(3,5-dibromo-2-hydroxyphenyl)-1-propanone chemical structure, C16H10Br4O4, CAS 10475-08-8
3-(1,3-Benzodioxol-5-yl)-2,3-dibromo-1-(3,5-dibromo-2-hydroxyphenyl)-1-propanone
CAS 10475-08-8C16H10Br4O4