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Murcko scaffold

Ring system with 3 rings and 16 atoms

13 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
13
With full pages
4
Scaffold SMILES

O=C1C=CC(=O)c2cc3c(cc21)CCCC3

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=CC(=O)c2cc3c(cc21)CCCC3

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 13 of 13 chemicals

4-Deoxybostrycin chemical structure, C16H16O7, CAS 21879-83-4
4-Deoxybostrycin
CAS 21879-83-4C16H16O7
(5R,6S,7S)-5,6,7,9,10-Pentahydroxy-5,6,7,8-tetrahydroanthracene-1,4-dione chemical structure, C14H12O7, CAS 69286-22-2
(5R,6S,7S)-5,6,7,9,10-Pentahydroxy-5,6,7,8-tetrahydroanthracene-1,4-dione
CAS 69286-22-2C14H12O7
2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione chemical structure, C15H14O6, CAS 69286-17-5
2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione
CAS 69286-17-5C15H14O6
5,6,7,8-Tetrahydro-2-methoxy-5,5-dimethylanthracene-1,4-dione chemical structure, C17H18O3, CAS 54889-74-6
5,6,7,8-Tetrahydro-2-methoxy-5,5-dimethylanthracene-1,4-dione
CAS 54889-74-6C17H18O3
(5S,6R,7S)-5,6,7,8-Tetrahydro-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-1,4-anthracenedione chemical structure, C16H16O8, CAS 21879-81-2
(5S,6R,7S)-5,6,7,8-Tetrahydro-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-1,4-anthracenedione
CAS 21879-81-2C16H16O8
Nigrosporin B chemical structure, C16H16O6, CAS 200716-12-7
Nigrosporin B
CAS 200716-12-7C16H16O6
(5S,7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione chemical structure, C16H16O7, CAS 150461-82-8
(5S,7S)-5,7,9,10-Tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
CAS 150461-82-8C16H16O7
1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl- chemical structure, C16H16O2, CAS 874584-13-1
1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl-
CAS 874584-13-1C16H16O2
1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl- chemical structure, C16H15ClO2, CAS 874584-18-6
1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl-
CAS 874584-18-6C16H15ClO2
5,7,9,10-Tetrahydroxy-2-methyl-5,6,7,8-tetrahydroanthracene-1,4-dione chemical structure, C15H14O6, CAS 19634-82-3
5,7,9,10-Tetrahydroxy-2-methyl-5,6,7,8-tetrahydroanthracene-1,4-dione
CAS 19634-82-3C15H14O6
2-Chloro-8,8-dimethyl-5,6,7,8-tetrahydroanthracene-1,4-dione chemical structure, C16H15ClO2, CAS 874584-19-7
2-Chloro-8,8-dimethyl-5,6,7,8-tetrahydroanthracene-1,4-dione
CAS 874584-19-7C16H15ClO2
2,3-Dichloro-8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione chemical structure, C16H14Cl2O2, CAS 915093-55-9
2,3-Dichloro-8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione
CAS 915093-55-9C16H14Cl2O2
1,2,3,4-Tetrahydro-5,8-dihydroxy-1,1-dimethyl-9,10-anthracenedione chemical structure, C16H16O4, CAS 43043-75-0
1,2,3,4-Tetrahydro-5,8-dihydroxy-1,1-dimethyl-9,10-anthracenedione
CAS 43043-75-0C16H16O4