Murcko scaffold
Ring system with 3 rings and 18 atoms
24 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 18
- Chemicals
- 24
- With full pages
- 4
Scaffold SMILES
C=C1C(=O)OC2C=CCC3C=C(CCC12)C(=O)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.
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
Isodeoxyelephantopin
C19H20O6
![(3aR,4S,9R,11E,12aR)-11-Methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl methacrylate chemical structure, C19H20O6, CAS 3085544-63-1](/s/JMUOPRSXUVOHFE-SAMGQYDWSA-N.svg)
(3aR,4S,9R,11E,12aR)-11-Methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl methacrylate
CAS 3085544-63-1C19H20O6
Isodeoxyelephantopin
C19H20O6
Deoxyelephantopin
CAS 29307-03-7C19H20O6
![[(3S,4R,8R,9E,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate chemical structure, C20H22O6, CAS 439923-16-7](/s/FTPHYXGWMIZVMP-GAFRNKKQSA-N.svg)
[(3S,4R,8R,9E,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate
CAS 439923-16-7C20H22O6
Scabertopin
C20H22O6
![[(3S,4R,8R,9E)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate chemical structure, C20H22O6](/s/FTPHYXGWMIZVMP-UGZAWPFQSA-N.svg)
[(3S,4R,8R,9E)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate
C20H22O6
Isodeoxyelephantopin
C19H20O6
Scabertopin
C20H22O6
Isodeoxyelephantopin
CAS 38927-54-7C19H20O6
Isoscabertopin
C20H22O6
Scabertopin
CAS 185213-52-9C20H22O6
![[(3S,4R,8R,9Z,12S)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (E)-2-methylbut-2-enoate chemical structure, C20H22O6](/s/FTPHYXGWMIZVMP-NASONHBBSA-N.svg)
[(3S,4R,8R,9Z,12S)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (E)-2-methylbut-2-enoate
C20H22O6
![[(3R,4S,8S,9Z,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate chemical structure, C19H20O6](/s/JMUOPRSXUVOHFE-KXHANERSSA-N.svg)
[(3R,4S,8S,9Z,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
C19H20O6
Scabertopin
C20H22O6
Gpr52 antagonist E7
C20H22O6
![(Z)-(3aR,4S,9R,12aR,E)-11-Methyl-3-methylene-2,7-dioxo-3,3a,4,5,7,9,10,12a-octahydro-2H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl 2-methylbut-2-enoate chemical structure, C20H22O6, CAS 129369-25-1](/s/FTPHYXGWMIZVMP-LOPILMCMSA-N.svg)
(Z)-(3aR,4S,9R,12aR,E)-11-Methyl-3-methylene-2,7-dioxo-3,3a,4,5,7,9,10,12a-octahydro-2H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl 2-methylbut-2-enoate
CAS 129369-25-1C20H22O6
![[(3R,4S,8S,9Z)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate chemical structure, C19H20O6](/s/JMUOPRSXUVOHFE-WBGHDPICSA-N.svg)
[(3R,4S,8S,9Z)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
C19H20O6
![[(3R,4S,8S,9Z,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate chemical structure, C20H22O6](/s/FTPHYXGWMIZVMP-VAAODULESA-N.svg)
[(3R,4S,8S,9Z,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate
C20H22O6
Isoscabertopin
C20H22O6
![[(3S,4R,8R,12S)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate chemical structure, C19H20O6](/s/JMUOPRSXUVOHFE-FZKCQIBNSA-N.svg)
[(3S,4R,8R,12S)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
C19H20O6
![[(3S,4R,8R,9Z,12S)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylbut-2-enoate chemical structure, C20H22O6](/s/FTPHYXGWMIZVMP-RZWYMKBESA-N.svg)
[(3S,4R,8R,9Z,12S)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylbut-2-enoate
C20H22O6
![[(3S,4R,8R,9Z,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylbut-2-enoate chemical structure, C20H22O6](/s/FTPHYXGWMIZVMP-YPWIOOGJSA-N.svg)
[(3S,4R,8R,9Z,12R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylbut-2-enoate
C20H22O6
![[(3S,4S,8R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate chemical structure, C19H20O6](/s/JMUOPRSXUVOHFE-WTXIUTQJSA-N.svg)
[(3S,4S,8R)-10-Methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] 2-methylprop-2-enoate
C19H20O6