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Murcko scaffold

Isopsoralen scaffold

53 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
53
With full pages
13
Scaffold SMILES

O=c1ccc2ccc3occc3c2o1

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 Isopsoralen page
Murcko scaffold O=c1ccc2ccc3occc3c2o1

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 53 chemicals

Pimpinellin chemical structure, C13H10O5, CAS 131-12-4
Pimpinellin
CAS 131-12-4C13H10O5
Isopsoralen chemical structure, C11H6O3, CAS 523-50-2
Isopsoralen
CAS 523-50-2C11H6O3
4,8-Dimethyl-2H-furo(2,3-h)-1-benzopyran-2-one chemical structure, C13H10O3, CAS 4063-41-6
4,8-Dimethyl-2H-furo(2,3-h)-1-benzopyran-2-one
CAS 4063-41-6C13H10O3
5-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one chemical structure, C12H8O3, CAS 73459-03-7
5-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one
CAS 73459-03-7C12H8O3
4,9-Dimethyl-2H-furo(2,3-h)-1-benzopyran-2-one chemical structure, C13H10O3, CAS 22975-76-4
4,9-Dimethyl-2H-furo(2,3-h)-1-benzopyran-2-one
CAS 22975-76-4C13H10O3
Isobergapten chemical structure, C12H8O4, CAS 482-48-4
Isobergapten
CAS 482-48-4C12H8O4
Oroselone chemical structure, C14H10O3, CAS 1760-27-6
Oroselone
CAS 1760-27-6C14H10O3
4-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one chemical structure, C12H8O3, CAS 6457-92-7
4-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one
CAS 6457-92-7C12H8O3
5'-Methylangelicin chemical structure, C12H8O3, CAS 15798-77-3
5'-Methylangelicin
CAS 15798-77-3C12H8O3
4'-Methylangelicin chemical structure, C12H8O3, CAS 78982-40-8
4'-Methylangelicin
CAS 78982-40-8C12H8O3
4,6,9-Trimethyl-2H-furo(2,3-h)-1-benzopyran-2-one chemical structure, C14H12O3, CAS 90370-29-9
4,6,9-Trimethyl-2H-furo(2,3-h)-1-benzopyran-2-one
CAS 90370-29-9C14H12O3
Sphondin chemical structure, C12H8O4, CAS 483-66-9
Sphondin
CAS 483-66-9C12H8O4
6-Methylangelicin chemical structure, C12H8O3, CAS 90370-14-2
6-Methylangelicin
CAS 90370-14-2C12H8O3
2H-Furo(2,3-h)-1-benzopyran-2-one, 9-(methoxymethyl)-4,8-dimethyl- chemical structure, C15H14O4, CAS 75663-41-1
2H-Furo(2,3-h)-1-benzopyran-2-one, 9-(methoxymethyl)-4,8-dimethyl-
CAS 75663-41-1C15H14O4
N,N-Dimethyl-4-amino-3-chloroangelicin chemical structure, C13H10ClNO3, CAS 86799-45-3
N,N-Dimethyl-4-amino-3-chloroangelicin
CAS 86799-45-3C13H10ClNO3
6,5'-Dimethylangelicin chemical structure, C13H10O3, CAS 90370-11-9
6,5'-Dimethylangelicin
CAS 90370-11-9C13H10O3
2H-Furo(2,3-h)(1)benzopyran-2-one, 9-aminomethyl-4,8-dimethyl-, hydrochloride chemical structure, C14H14ClNO3, CAS 75663-42-2
2H-Furo(2,3-h)(1)benzopyran-2-one, 9-aminomethyl-4,8-dimethyl-, hydrochloride
CAS 75663-42-2C14H14ClNO3
2H-Furo(2,3-h)-1-benzopyran-2-one, 5,8-dimethyl- chemical structure, C13H10O3, CAS 76605-65-7
2H-Furo(2,3-h)-1-benzopyran-2-one, 5,8-dimethyl-
CAS 76605-65-7C13H10O3
2H-Furo(2,3-h)-1-benzopyran-2-one, 4,5-dimethyl- chemical structure, C13H10O3, CAS 78560-58-4
2H-Furo(2,3-h)-1-benzopyran-2-one, 4,5-dimethyl-
CAS 78560-58-4C13H10O3
2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dimethyl- chemical structure, C13H10O3, CAS 78982-41-9
2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dimethyl-
CAS 78982-41-9C13H10O3
2H-Furo(2,3-h)-1-benzopyran-2-one, 6,8,9-trimethyl- chemical structure, C14H12O3, CAS 112308-10-8
2H-Furo(2,3-h)-1-benzopyran-2-one, 6,8,9-trimethyl-
CAS 112308-10-8C14H12O3
2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-(hydroxymethyl)- chemical structure, C14H12O4, CAS 75663-40-0
2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-(hydroxymethyl)-
CAS 75663-40-0C14H12O4
2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-((2-(dimethylamino)ethoxy)methyl)- chemical structure, C18H21NO4, CAS 78560-66-4
2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-((2-(dimethylamino)ethoxy)methyl)-
CAS 78560-66-4C18H21NO4
Oroselol chemical structure, C14H12O4, CAS 1891-25-4
Oroselol
CAS 1891-25-4C14H12O4