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Murcko scaffold

Ring system with 2 rings and 12 atoms

16 chemicals on CompoundList share this ring system.

Rings: 2
Scaffold atoms: 12
Chemicals: 16
With full pages: 9

Scaffold SMILES

C=C1C(=O)OC2CCC=CCC12

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)OC2CCC=CCC12

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 16 of 16 chemicals

Tomentosin chemical structure, C15H20O3, CAS 33649-15-9

CAS 33649-15-9C₁₅H₂₀O₃

6-(1-(Acetyloxy)-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta(b)furan-2-one chemical structure, C17H22O5, CAS 17954-90-4

6-(1-(Acetyloxy)-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta(b)furan-2-one

CAS 17954-90-4C₁₇H₂₂O₅

Ivalbin chemical structure, C15H22O4, CAS 7544-65-2

CAS 7544-65-2C₁₅H₂₂O₄

Xanthinin chemical structure, C17H22O5, CAS 580-49-4

CAS 580-49-4C₁₇H₂₂O₅

(3aR,7S,8aR)-6-((1R)-1-(Acetyloxy)-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta(b)furan-2-one chemical structure, C17H22O5, CAS 26791-72-0

(3aR,7S,8aR)-6-((1R)-1-(Acetyloxy)-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta(b)furan-2-one

CAS 26791-72-0C₁₇H₂₂O₅

7-Methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8A-tetrahydro-3Ah-cyclohepta(B)furan-2-one chemical structure, C15H20O3, CAS 55555-39-0

7-Methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8A-tetrahydro-3Ah-cyclohepta(B)furan-2-one

CAS 55555-39-0C₁₅H₂₀O₃

(-)-Xanthatin chemical structure, C15H18O3, CAS 26791-73-1

CAS 26791-73-1C₁₅H₁₈O₃

8-Epi-xanthatin chemical structure, C15H18O3, CAS 30890-35-8

8-Epi-xanthatin

CAS 30890-35-8C₁₅H₁₈O₃

6-(3-Acetoxy-1-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-on chemical structure, C17H24O5, CAS 18665-84-4

6-(3-Acetoxy-1-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-on

CAS 18665-84-4C₁₇H₂₄O₅

2H-Cyclohepta(b)furan-2-one, 6-(1-(acetyloxy)-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene- chemical structure, C17H24O5, CAS 73307-79-6

2H-Cyclohepta(b)furan-2-one, 6-(1-(acetyloxy)-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-

CAS 73307-79-6C₁₇H₂₄O₅

6-(3-Hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one chemical structure, C15H22O3, CAS 68776-19-2

6-(3-Hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

CAS 68776-19-2C₁₅H₂₂O₃

Xanthinosin chemical structure, C15H20O3

C₁₅H₂₀O₃

6beta-Hydroxytomentosin chemical structure, C15H20O4, CAS 1232676-22-0

6beta-Hydroxytomentosin

CAS 1232676-22-0C₁₅H₂₀O₄

Inuchinenolide A chemical structure, C17H22O5, CAS 79383-84-9

Inuchinenolide A

CAS 79383-84-9C₁₇H₂₂O₅

Isoxanthanol chemical structure, C17H24O5, CAS 28582-79-8

CAS 28582-79-8C₁₇H₂₄O₅

4H-Tomentosin 2-deacetylxanthuminol chemical structure, C15H22O3, CAS 72843-22-2

4H-Tomentosin 2-deacetylxanthuminol

CAS 72843-22-2C₁₅H₂₂O₃