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Murcko scaffold

Ring system with 5 rings and 26 atoms

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
26
Chemicals
17
With full pages
9
Scaffold SMILES

O=C1C=C(c2c[nH]c3ccccc23)C(=O)C=C1c1c[nH]c2ccccc12

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=C1C=C(c2c[nH]c3ccccc23)C(=O)C=C1c1c[nH]c2ccccc12

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 17 of 17 chemicals

Cochliodinol chemical structure, C32H30N2O4, CAS 11051-88-0
Cochliodinol
CAS 11051-88-0C32H30N2O4
Asterriquinone chemical structure, C32H30N2O4, CAS 60696-52-8
Asterriquinone
CAS 60696-52-8C32H30N2O4
2,5-Dimethoxy-3,6-bis(5-(3-methylbut-2-en-1-yl)-1H-indol-3-yl)benzo-1,4-quinone chemical structure, C34H34N2O4, CAS 56489-20-4
2,5-Dimethoxy-3,6-bis(5-(3-methylbut-2-en-1-yl)-1H-indol-3-yl)benzo-1,4-quinone
CAS 56489-20-4C34H34N2O4
2,5-Cyclohexadiene-1,4-dione, 2-(2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-5-(1H-indol-3-yl)- chemical structure, C27H22N2O4, CAS 78860-38-5
2,5-Cyclohexadiene-1,4-dione, 2-(2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-5-(1H-indol-3-yl)-
CAS 78860-38-5C27H22N2O4
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-di-1H-indol-3-yl- chemical structure, C22H14N2O4, CAS 78860-40-9
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-di-1H-indol-3-yl-
CAS 78860-40-9C22H14N2O4
Semicochliodinol A chemical structure, C27H22N2O4, CAS 194224-72-1
Semicochliodinol A
CAS 194224-72-1C27H22N2O4
Semicochliodinol B chemical structure, C27H22N2O4, CAS 194224-73-2
Semicochliodinol B
CAS 194224-73-2C27H22N2O4
Hinnuliquinone chemical structure, C32H30N2O4, CAS 78860-37-4
Hinnuliquinone
CAS 78860-37-4C32H30N2O4
2-(2-(1,1-Dimethyl-2-propen-1-yl)-1H-indol-3-yl)-3,6-dihydroxy-5-(7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)-2,5-cyclohexadiene-1,4-dione chemical structure, C32H30N2O4, CAS 78860-34-1
2-(2-(1,1-Dimethyl-2-propen-1-yl)-1H-indol-3-yl)-3,6-dihydroxy-5-(7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)-2,5-cyclohexadiene-1,4-dione
CAS 78860-34-1C32H30N2O4
PM-53 chemical structure, C29H24N2O4, CAS 198992-52-8
PM-53
CAS 198992-52-8C29H24N2O4
Asterriquinone B1 chemical structure, C34H34N2O4, CAS 78708-35-7
Asterriquinone B1
CAS 78708-35-7C34H34N2O4
2,5-Bis(acetyloxy)-3,6-bis[1-(1,1-dimethylpropyl)-1H-indol-3-yl]-2,5-cyclohexadiene-1,4-dione chemical structure, C36H38N2O6, CAS 213831-70-0
2,5-Bis(acetyloxy)-3,6-bis[1-(1,1-dimethylpropyl)-1H-indol-3-yl]-2,5-cyclohexadiene-1,4-dione
CAS 213831-70-0C36H38N2O6
Asterriquinone D chemical structure, C24H18N2O4, CAS 78723-19-0
Asterriquinone D
CAS 78723-19-0C24H18N2O4
Tetrahydroasterriquinone chemical structure, C32H34N2O4, CAS 60924-74-5
Tetrahydroasterriquinone
CAS 60924-74-5C32H34N2O4
Asterriquinone dimethyl ether chemical structure, C34H34N2O4, CAS 60924-75-6
Asterriquinone dimethyl ether
CAS 60924-75-6C34H34N2O4
2-(1H-Indol-3-yl)-3,6-dimethoxy-5-[1-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione chemical structure, C29H26N2O4, CAS 78708-37-9
2-(1H-Indol-3-yl)-3,6-dimethoxy-5-[1-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
CAS 78708-37-9C29H26N2O4
Anticancer agent 41 chemical structure, C25H18Br2N2O3, CAS 1394077-28-1
Anticancer agent 41
CAS 1394077-28-1C25H18Br2N2O3