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Murcko scaffold

Ring system with 3 rings and 21 atoms

13 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 21
Chemicals: 13
With full pages: 1

Scaffold SMILES

C=C1C(=O)OC2C=CCCC=CCC(OC(=O)C3CO3)C12

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)OC2C=CCCC=CCC(OC(=O)C3CO3)C12

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

Ursiniolide A chemical structure, C22H28O7, CAS 52677-96-0

CAS 52677-96-0C₂₂H₂₈O₇

MP-4A (From werner herz) chemical structure, C22H28O8, CAS 72690-78-9

MP-4A (From werner herz)

CAS 72690-78-9C₂₂H₂₈O₈

Millisorin B chemical structure, C20H26O6, CAS 72229-34-6

CAS 72229-34-6C₂₀H₂₆O₆

(6E,10E)-8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate chemical structure, C20H26O7, CAS 72229-35-7

(6E,10E)-8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate

CAS 72229-35-7C₂₀H₂₆O₇

Uvedalin chemical structure, C23H28O9, CAS 24694-79-9

CAS 24694-79-9C₂₃H₂₈O₉

Methyl 5-acetyloxy-4-(2,3-dimethyloxirane-2-carbonyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate chemical structure, C23H28O9

Methyl 5-acetyloxy-4-(2,3-dimethyloxirane-2-carbonyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

C₂₃H₂₈O₉

Methyl (6E,10Z)-5-acetyloxy-4-(2,3-dimethyloxirane-2-carbonyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate chemical structure, C23H28O9

Methyl (6E,10Z)-5-acetyloxy-4-(2,3-dimethyloxirane-2-carbonyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

C₂₃H₂₈O₉

5-Acetoxy-4-[[(2,3-dimethyloxiran-2-yl)carbonyl]oxy]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester chemical structure, C23H28O9

5-Acetoxy-4-[[(2,3-dimethyloxiran-2-yl)carbonyl]oxy]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester

C₂₃H₂₈O₉

Methyl (3aS,4S,5S,6Z,10E,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate chemical structure, C23H28O9

Methyl (3aS,4S,5S,6Z,10E,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

C₂₃H₂₈O₉

Methyl 5-acetyloxy-4-[(2R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate chemical structure, C23H28O9

Methyl 5-acetyloxy-4-[(2R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

C₂₃H₂₈O₉

Methyl (3aS,4S,6E,10E,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate chemical structure, C23H28O9

Methyl (3aS,4S,6E,10E,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

C₂₃H₂₈O₉

Methyl (3aS,4S,6E,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate chemical structure, C23H28O9

Methyl (3aS,4S,6E,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

C₂₃H₂₈O₉

Methyl (3aS,5S,6E,10Z,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate chemical structure, C23H28O9

Methyl (3aS,5S,6E,10Z,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

C₂₃H₂₈O₉