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Murcko scaffold

Ring system with 3 rings and 16 atoms

23 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
23
With full pages
8
Scaffold SMILES

C=C1C(=O)OC2CCC3C=CC(=O)C3CC12

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=C1C(=O)OC2CCC3C=CC(=O)C3CC12

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 23 of 23 chemicals

(3aR,4aR,7aR,8R,9aR)-3,3a,4,4a,7a,8,9,9a-Octahydro-8-methyl-3-methyleneazuleno(6,5-b)furan-2,5-dione chemical structure, C14H16O3, CAS 5945-40-4
(3aR,4aR,7aR,8R,9aR)-3,3a,4,4a,7a,8,9,9a-Octahydro-8-methyl-3-methyleneazuleno(6,5-b)furan-2,5-dione
CAS 5945-40-4C14H16O3
Helenalin chemical structure, C15H18O4, CAS 6754-13-8
Helenalin
CAS 6754-13-8C15H18O4
Balduilin chemical structure, C17H20O5, CAS 6895-47-2
Balduilin
CAS 6895-47-2C17H20O5
Helenalin extract chemical structure, C15H18O4, CAS 73680-94-1
Helenalin extract
CAS 73680-94-1C15H18O4
Mexicanin I chemical structure, C15H18O4, CAS 5945-41-5
Mexicanin I
CAS 5945-41-5C15H18O4
Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-7a-hydroxy-8-methyl-3-methylene-, (3aR,4aR,7aS,8R,9aR)- chemical structure, C14H16O4, CAS 82611-89-0
Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-7a-hydroxy-8-methyl-3-methylene-, (3aR,4aR,7aS,8R,9aR)-
CAS 82611-89-0C14H16O4
Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4a-hydroxy-8-methyl-3-methylene-, (3aR,4aS,7aR,8R,9aR)- chemical structure, C14H16O4, CAS 83283-01-6
Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4a-hydroxy-8-methyl-3-methylene-, (3aR,4aS,7aR,8R,9aR)-
CAS 83283-01-6C14H16O4
Helenalin methacrylate chemical structure, C19H22O5, CAS 68798-43-6
Helenalin methacrylate
CAS 68798-43-6C19H22O5
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbutanoate chemical structure, C20H26O5, CAS 40737-22-2
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbutanoate
CAS 40737-22-2C20H26O5
6-O-(2-Methyl)-butyrylhelenalin chemical structure, C20H26O5, CAS 94729-11-0
6-O-(2-Methyl)-butyrylhelenalin
CAS 94729-11-0C20H26O5
Fastigillin C chemical structure, C20H24O6, CAS 6995-12-6
Fastigillin C
CAS 6995-12-6C20H24O6
Aromaticin chemical structure, C15H18O3, CAS 5945-42-6
Aromaticin
CAS 5945-42-6C15H18O3
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbut-2-enoate chemical structure, C20H24O5, CAS 40737-20-0
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbut-2-enoate
CAS 40737-20-0C20H24O5
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) hexadecanoate chemical structure, C31H48O5, CAS 40780-06-1
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) hexadecanoate
CAS 40780-06-1C31H48O5
6-O-Acetylhelenalin chemical structure, C17H20O5, CAS 10180-86-6
6-O-Acetylhelenalin
CAS 10180-86-6C17H20O5
Fastigilin C chemical structure, C20H24O6
Fastigilin C
C20H24O6
Linifolin A chemical structure, C17H20O5, CAS 5988-99-8
Linifolin A
CAS 5988-99-8C17H20O5
Bigelovin chemical structure, C17H20O5, CAS 3668-14-2
Bigelovin
CAS 3668-14-2C17H20O5
6-O-Tiglorylbutyrylhelenalin chemical structure, C20H24O5, CAS 89708-26-9
6-O-Tiglorylbutyrylhelenalin
CAS 89708-26-9C20H24O5
8-Epihelenalin chemical structure, C15H18O4, CAS 97643-91-9
8-Epihelenalin
CAS 97643-91-9C15H18O4
Multigilin chemical structure, C20H24O6, CAS 64937-25-3
Multigilin
CAS 64937-25-3C20H24O6
[(3aR,4R,5S,5aS,8aR,9R,9aS)-9-Hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] acetate chemical structure, C17H20O6, CAS 38927-55-8
[(3aR,4R,5S,5aS,8aR,9R,9aS)-9-Hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] acetate
CAS 38927-55-8C17H20O6
[(3aS,5S,5aS,8aR,9R,9aS)-4-Hydroxy-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate chemical structure, C20H24O6
[(3aS,5S,5aS,8aR,9R,9aS)-4-Hydroxy-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
C20H24O6