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Murcko scaffold

Ring system with 5 rings and 16 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
16
Chemicals
8
With full pages
4
Scaffold SMILES

O=C1OC2CC1C1CC3OC34C(=O)OC2C14

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=C1OC2CC1C1CC3OC34C(=O)OC2C14

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 8 of 8 chemicals

Picrotoxin chemical structure, C30H34O13, CAS 124-87-8
Picrotoxin
CAS 124-87-8C30H34O13
alpha-Picrotoxinone chemical structure, C14H14O7, CAS 5947-63-7
alpha-Picrotoxinone
CAS 5947-63-7C14H14O7
Picrotoxinin, alpha-dihydro-, acetate chemical structure, C17H20O7, CAS 21291-17-8
Picrotoxinin, alpha-dihydro-, acetate
CAS 21291-17-8C17H20O7
Picrotin monoacetate chemical structure, C17H20O8, CAS 27775-17-3
Picrotin monoacetate
CAS 27775-17-3C17H20O8
Picrotin chemical structure, C15H18O7, CAS 21416-53-5
Picrotin
CAS 21416-53-5C15H18O7
Picrotoxinin chemical structure, C15H16O6, CAS 17617-45-7
Picrotoxinin
CAS 17617-45-7C15H16O6
1-Hydroxy-14-(1-hydroxy-1-methyl-ethyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione, 1-hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione chemical structure, C30H34O13, CAS 1217775-72-8
1-Hydroxy-14-(1-hydroxy-1-methyl-ethyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione, 1-hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
CAS 1217775-72-8C30H34O13
(1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethyl)-3,6-methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione chemical structure, C15H18O6, CAS 17617-46-8
(1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethyl)-3,6-methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione
CAS 17617-46-8C15H18O6