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Murcko scaffold

Isochromane scaffold

956 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
10
Chemicals
956
With full pages
80
Scaffold SMILES

c1ccc2c(c1)CCOC2

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 scaffoldOpen the Isochromane page
Murcko scaffold c1ccc2c(c1)CCOC2

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 48 of 956 chemicals

N,N-Diethyl-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-2-benzopyran-1-aminium chloride chemical structure, C16H26ClNO3, CAS 70070-10-9
N,N-Diethyl-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-2-benzopyran-1-aminium chloride
CAS 70070-10-9C16H26ClNO3
3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol chemical structure, C12H16O3, CAS 70080-82-9
3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol
CAS 70080-82-9C12H16O3
Isochromane chemical structure, C9H10O, CAS 493-05-0
Isochromane
CAS 493-05-0C9H10O
1H-2-Benzopyran, 3,4-dihydro-4-methyl- chemical structure, C10H12O, CAS 26164-08-9
1H-2-Benzopyran, 3,4-dihydro-4-methyl-
CAS 26164-08-9C10H12O
Citrinin hydrate chemical structure, C13H16O6, CAS 157643-56-6
Citrinin hydrate
CAS 157643-56-6C13H16O6
(3,4-Dihydro-1H-isochromen-1-ylmethyl)amine chemical structure, C10H13NO, CAS 19158-90-8
(3,4-Dihydro-1H-isochromen-1-ylmethyl)amine
CAS 19158-90-8C10H13NO
1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- chemical structure, C11H15NO, CAS 50683-74-4
1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-
CAS 50683-74-4C11H15NO
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)propan-2-amine chemical structure, C13H19NO, CAS 31231-63-7
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)propan-2-amine
CAS 31231-63-7C13H19NO
(R)-Isochromane-1-carboxylic acid chemical structure, C10H10O3, CAS 161814-86-4
(R)-Isochromane-1-carboxylic acid
CAS 161814-86-4C10H10O3
(S)-Isochroman-1-carboxylic acid chemical structure, C10H10O3, CAS 161814-85-3
(S)-Isochroman-1-carboxylic acid
CAS 161814-85-3C10H10O3
7-Nitroisochroman chemical structure, C9H9NO3, CAS 444588-03-8
7-Nitroisochroman
CAS 444588-03-8C9H9NO3
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)acetamide chemical structure, C12H15NO2, CAS 50683-59-5
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)acetamide
CAS 50683-59-5C12H15NO2
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)ethanamine hydrochloride chemical structure, C12H18ClNO, CAS 31231-60-4
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)ethanamine hydrochloride
CAS 31231-60-4C12H18ClNO
N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine chemical structure, C12H17NO, CAS 50683-75-5
N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
CAS 50683-75-5C12H17NO
N-(Isochromanylmethyl)prop-2-enamide chemical structure, C13H15NO2, CAS 333432-25-0
N-(Isochromanylmethyl)prop-2-enamide
CAS 333432-25-0C13H15NO2
Acetamide, N-((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)- chemical structure, C14H19NO4, CAS 70070-00-7
Acetamide, N-((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-
CAS 70070-00-7C14H19NO4
2-Butanone, 4-(((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)methylamino)- chemical structure, C17H25NO4, CAS 70070-07-4
2-Butanone, 4-(((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)methylamino)-
CAS 70070-07-4C17H25NO4
5-Chloro-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid chemical structure, C12H13ClO5, CAS 142689-02-9
5-Chloro-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
CAS 142689-02-9C12H13ClO5
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- chemical structure, C12H10ClF3O5, CAS 142689-04-1
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-
CAS 142689-04-1C12H10ClF3O5
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro- chemical structure, C12H13FO5, CAS 142689-06-3
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-
CAS 142689-06-3C12H13FO5
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl- chemical structure, C12H13BrO5, CAS 142689-08-5
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-
CAS 142689-08-5C12H13BrO5
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)- chemical structure, C12H8ClF5O5, CAS 142689-10-9
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-
CAS 142689-10-9C12H8ClF5O5
6,8-Dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid chemical structure, C13H13F3O5, CAS 142689-12-1
6,8-Dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
CAS 142689-12-1C13H13F3O5
3,4-Dihydro-1H-2-benzopyran-1-carboxylic acid chemical structure, C10H10O3, CAS 13328-85-3
3,4-Dihydro-1H-2-benzopyran-1-carboxylic acid
CAS 13328-85-3C10H10O3