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Murcko scaffold

Ring system with 3 rings and 16 atoms

20 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
20
With full pages
3
Scaffold SMILES

C=C1C(=O)OC2CCC3CCC(CCC12)O3

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)OC2CCC3CCC(CCC12)O3

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 20 of 20 chemicals

Tagitinin A chemical structure, C19H28O7, CAS 59979-61-2
Tagitinin A
CAS 59979-61-2C19H28O7
Tagitinin D chemical structure, C19H28O6, CAS 56377-67-4
Tagitinin D
CAS 56377-67-4C19H28O6
Tirotundin chemical structure, C19H28O6
Tirotundin
C19H28O6
[(1S,2S,4R,8S,9R,11R)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C19H28O6
[(1S,2S,4R,8S,9R,11R)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C19H28O6
1-Acetyltagitinin A chemical structure, C21H30O8
1-Acetyltagitinin A
C21H30O8
3-O-Methyltirotundin chemical structure, C20H30O6, CAS 1021945-29-8
3-O-Methyltirotundin
CAS 1021945-29-8C20H30O6
[(1S,2S,4R,8S,9R,11S,12R)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C21H30O8
[(1S,2S,4R,8S,9R,11S,12R)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C21H30O8
[(2S,4R,8S,9R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C20H30O6
[(2S,4R,8S,9R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C20H30O6
[(2S,4R,8S,9R)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C19H28O6
[(2S,4R,8S,9R)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C19H28O6
[(2S,4R,8S,9R,12R)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C21H30O8
[(2S,4R,8S,9R,12R)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C21H30O8
Tirotundin 3-O-methyl ether chemical structure, C20H30O6
Tirotundin 3-O-methyl ether
C20H30O6
[(1R,2S,4R,8S,9R,11R,12R)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C21H30O8
[(1R,2S,4R,8S,9R,11R,12R)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C21H30O8
1-Acetyltagitinin A chemical structure, C21H30O8, CAS 60547-63-9
1-Acetyltagitinin A
CAS 60547-63-9C21H30O8
[(1S,2S,4R,8S,9R,11S)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C20H30O6
[(1S,2S,4R,8S,9R,11S)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C20H30O6
Viguilenin chemical structure, C20H30O7, CAS 76627-97-9
Viguilenin
CAS 76627-97-9C20H30O7
Propanoic acid,2-methyl-,(3aS,4R,6S,9S,10S,11aR)-dodecahydro-9-methoxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester chemical structure, C20H30O6
Propanoic acid,2-methyl-,(3aS,4R,6S,9S,10S,11aR)-dodecahydro-9-methoxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester
C20H30O6
[(1S,11R)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C19H28O6
[(1S,11R)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C19H28O6
[(1S,11S)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate chemical structure, C21H30O8
[(1S,11S)-12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
C21H30O8
(1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate chemical structure, C20H30O6
(1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate
C20H30O6
2-Butenoic acid, 2-methyl-, dodecahydro-7,9-dihydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester chemical structure, C20H28O8, CAS 98204-96-7
2-Butenoic acid, 2-methyl-, dodecahydro-7,9-dihydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester
CAS 98204-96-7C20H28O8