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Murcko scaffold

Ring system with 3 rings and 16 atoms

10 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 16
Chemicals: 10
With full pages: 2

Scaffold SMILES

C=C1C(=O)OC2C=CC3C=CC(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)OC2C=CC3C=CC(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 10 of 10 chemicals

Liatrin chemical structure, C22H26O8, CAS 34175-79-6

CAS 34175-79-6C₂₂H₂₆O₈

Tagitinin F chemical structure, C19H24O6, CAS 59979-57-6

CAS 59979-57-6C₁₉H₂₄O₆

Liatris lactone chemical structure, C22H26O8

Liatris lactone

C₂₂H₂₆O₈

2-Butenoic acid, 2-[(acetyloxy)methyl]-derivati chemical structure, C22H26O8

2-Butenoic acid, 2-[(acetyloxy)methyl]-derivati

C₂₂H₂₆O₈

[(1R,2Z,9R,11S)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate chemical structure, C22H26O8

[(1R,2Z,9R,11S)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

C₂₂H₂₆O₈

3-O-Methyltagitinin F chemical structure, C20H26O6

3-O-Methyltagitinin F

C₂₀H₂₆O₆

[(2Z,4R,8R,9R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate chemical structure, C20H26O6

[(2Z,4R,8R,9R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate

C₂₀H₂₆O₆

[(1R,2Z,4R,8R,9R,11R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate chemical structure, C20H26O6, CAS 110382-37-1

[(1R,2Z,4R,8R,9R,11R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate

CAS 110382-37-1C₂₀H₂₆O₆

[(2Z)-1-Hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylbut-2-enoate chemical structure, C20H24O7, CAS 121519-08-2

[(2Z)-1-Hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylbut-2-enoate

CAS 121519-08-2C₂₀H₂₄O₇

[(1R,4R,8R,9R,11R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate chemical structure, C20H26O6

[(1R,4R,8R,9R,11R)-1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate

C₂₀H₂₆O₆