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Murcko scaffold

Ring system with 3 rings and 16 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
10
With full pages
6
Scaffold SMILES

C=C1C(=O)OC2C3C=CC(=O)C3=CCCC12

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)OC2C3C=CC(=O)C3=CCCC12

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 10 of 10 chemicals

Dehydroleucodine chemical structure, C15H16O3, CAS 36150-07-9
Dehydroleucodine
CAS 36150-07-9C15H16O3
14-Deoxylactucin chemical structure, C15H16O4, CAS 74635-52-2
14-Deoxylactucin
CAS 74635-52-2C15H16O4
Montacephalin chemical structure, C20H22O7, CAS 115995-12-5
Montacephalin
CAS 115995-12-5C20H22O7
8-Deoxylactucin chemical structure, C15H16O4, CAS 65725-10-2
8-Deoxylactucin
CAS 65725-10-2C15H16O4
Lactucin chemical structure, C15H16O5, CAS 1891-29-8
Lactucin
CAS 1891-29-8C15H16O5
7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl- chemical structure, C15H16O5, CAS 109402-60-0
7-Quinolinamine, 1,2,3,4-tetrahydro-4,4-dimethyl-
CAS 109402-60-0C15H16O5
Pumilin chemical structure, C20H22O7, CAS 1405-19-2
Pumilin
CAS 1405-19-2C20H22O7
(9aR,9bS)-9a-Hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione chemical structure, C15H16O4, CAS 74636-03-6
(9aR,9bS)-9a-Hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione
CAS 74636-03-6C15H16O4
1-(((3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-Octahydro-4-hydroxy-6-methyl-3-methylene-2,7-dioxoazuleno(4,5-b)furan-9-yl)methyl) ethanedioate chemical structure, C17H16O8, CAS 303130-76-9
1-(((3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-Octahydro-4-hydroxy-6-methyl-3-methylene-2,7-dioxoazuleno(4,5-b)furan-9-yl)methyl) ethanedioate
CAS 303130-76-9C17H16O8
Artemisiane E chemical structure, C20H22O5, CAS 2618700-77-7
Artemisiane E
CAS 2618700-77-7C20H22O5