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Murcko scaffold

Ring system with 3 rings and 17 atoms

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
18
With full pages
1
Scaffold SMILES

C=C1CCC2CC2C=CC(=O)C2CCCC2C1

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=C1CCC2CC2C=CC(=O)C2CCCC2C1

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 18 of 18 chemicals

(1R,5R,7S,11R,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O4
(1R,5R,7S,11R,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O4
(1R,5R,7S,11S,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O4
(1R,5R,7S,11S,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O4
1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O4
1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O4
Lathyrol chemical structure, C20H30O4
Lathyrol
C20H30O4
Npc226958 chemical structure, C20H30O4, CAS 34420-19-4
Npc226958
CAS 34420-19-4C20H30O4
Lathyrol (standard) chemical structure, C20H30O4
Lathyrol (standard)
C20H30O4
7-beta-Hydroxylathyrol chemical structure, C20H30O5, CAS 34208-98-5
7-beta-Hydroxylathyrol
CAS 34208-98-5C20H30O5
(1R,3E,5S,7S,11R,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O4
(1R,3E,5S,7S,11R,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O4
7beta-Hydroxylathyrol chemical structure, C20H30O5
7beta-Hydroxylathyrol
C20H30O5
1,9,11,13-Tetrahydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O5
1,9,11,13-Tetrahydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O5
(1R,3Z,5R,7S,11S,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O4
(1R,3Z,5R,7S,11S,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O4
7-beta-Hydroxylathyrol chemical structure, C20H30O5
7-beta-Hydroxylathyrol
C20H30O5
(1R,5R,7S,9R,11R,12R,13S,14S)-1,9,11,13-Tetrahydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O5
(1R,5R,7S,9R,11R,12R,13S,14S)-1,9,11,13-Tetrahydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O5
7-beta-Hydroxylathyrol [M+H]+ chemical structure, C20H30O5
7-beta-Hydroxylathyrol [M+H]+
C20H30O5
(1S,3Z,5R,7R,11S,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O4
(1S,3Z,5R,7R,11S,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O4
(1R,5S,7R,12S)-1,9,11,13-Tetrahydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O5
(1R,5S,7R,12S)-1,9,11,13-Tetrahydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O5
(1R)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one chemical structure, C20H30O4
(1R)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
C20H30O4
[(1R,3E,5R,7S,12R,13S,14S)-1,11-Diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] acetate chemical structure, C26H36O7, CAS 489459-81-6
[(1R,3E,5R,7S,12R,13S,14S)-1,11-Diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] acetate
CAS 489459-81-6C26H36O7