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Murcko scaffold

Ring system with 3 rings and 12 atoms

24 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
12
Chemicals
24
With full pages
4
Scaffold SMILES

c1ccc2c(c1)OC1CCCC21

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 c1ccc2c(c1)OC1CCCC21

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 24 of 24 chemicals

1H-Cyclopenta(b)benzofuran-3a-ol, 7-methoxy-2,3,3a,8b-tetrahdro- chemical structure, C12H14O3, CAS 59701-69-8
1H-Cyclopenta(b)benzofuran-3a-ol, 7-methoxy-2,3,3a,8b-tetrahdro-
CAS 59701-69-8C12H14O3
Nordeoxynivalenol B chemical structure, C14H18O5, CAS 103776-39-2
Nordeoxynivalenol B
CAS 103776-39-2C14H18O5
Aplysinol chemical structure, C15H19BrO2, CAS 6790-64-3
Aplysinol
CAS 6790-64-3C15H19BrO2
Beraprost chemical structure, C24H30O5, CAS 88430-50-6
Beraprost
CAS 88430-50-6C24H30O5
Beraprost impurity 63 chemical structure, C25H32O5, CAS 223556-65-8
Beraprost impurity 63
CAS 223556-65-8C25H32O5
Esuberaprost chemical structure, C24H30O5, CAS 94132-88-4
Esuberaprost
CAS 94132-88-4C24H30O5
Beraprost impurity 60 chemical structure, C17H22O5, CAS 132203-90-8
Beraprost impurity 60
CAS 132203-90-8C17H22O5
Aplysin chemical structure, C15H19BrO, CAS 6790-63-2
Aplysin
CAS 6790-63-2C15H19BrO
Methyl 4-((1S,2R,3aS,8bS)-2-acetoxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate chemical structure, C19H24O6, CAS 88277-22-9
Methyl 4-((1S,2R,3aS,8bS)-2-acetoxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate
CAS 88277-22-9C19H24O6
Methyl 4-((1R,2S,3aR,8bR)-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate chemical structure, C17H22O5, CAS 88277-19-4
Methyl 4-((1R,2S,3aR,8bR)-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate
CAS 88277-19-4C17H22O5
Methyl 4-((1R,2R,3aS,8bS)-2-acetoxy-1-((E)-4-methyl-3-oxooct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate chemical structure, C27H32O6, CAS 94132-81-7
Methyl 4-((1R,2R,3aS,8bS)-2-acetoxy-1-((E)-4-methyl-3-oxooct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate
CAS 94132-81-7C27H32O6
Beraprost impurity 15 chemical structure, C27H34O6, CAS 220945-56-2
Beraprost impurity 15
CAS 220945-56-2C27H34O6
Beraprost impurity 65 chemical structure, C25H32O5, CAS 274250-66-7
Beraprost impurity 65
CAS 274250-66-7C25H32O5
Aplysinal chemical structure, C15H17BrO2, CAS 64052-99-9
Aplysinal
CAS 64052-99-9C15H17BrO2
Beraprost sodium chemical structure, C24H29NaO5, CAS 88475-69-8
Beraprost sodium
CAS 88475-69-8C24H29NaO5
Sodium,4-[2-hydroxy-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate chemical structure, C24H29NaO5
Sodium,4-[2-hydroxy-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
C24H29NaO5
Beraprost impurity 66 chemical structure, C25H32O5, CAS 94132-82-8
Beraprost impurity 66
CAS 94132-82-8C25H32O5
Esuberaprost potassium chemical structure, C24H29KO5, CAS 1416252-97-5
Esuberaprost potassium
CAS 1416252-97-5C24H29KO5
Esuberaprost sodium chemical structure, C24H29NaO5, CAS 152695-53-9
Esuberaprost sodium
CAS 152695-53-9C24H29NaO5
4-((1S,2S,3aR,8bR)-2-Hydroxy-1-((3R,4R,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoic acid chemical structure, C24H30O5, CAS 149952-97-6
4-((1S,2S,3aR,8bR)-2-Hydroxy-1-((3R,4R,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoic acid
CAS 149952-97-6C24H30O5
rel-Sodium 4-((1S,2S,3aR,8bR)-2-hydroxy-1-((3R,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate chemical structure, C24H29NaO5, CAS 496807-11-5
rel-Sodium 4-((1S,2S,3aR,8bR)-2-hydroxy-1-((3R,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate
CAS 496807-11-5C24H29NaO5
Methyl 4-((1S,2R,3aS,8bS)-2-((tert-butyldimethylsilyl)oxy)-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate chemical structure, C23H36O5Si, CAS 1416129-68-4
Methyl 4-((1S,2R,3aS,8bS)-2-((tert-butyldimethylsilyl)oxy)-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate
CAS 1416129-68-4C23H36O5Si
Beraprost impurity 54 chemical structure, C27H34O6, CAS 220945-51-7
Beraprost impurity 54
CAS 220945-51-7C27H34O6
Beraprost impurity 57 chemical structure, C27H34O6, CAS 274250-87-2
Beraprost impurity 57
CAS 274250-87-2C27H34O6