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Murcko scaffold

Ring system with 4 rings and 18 atoms

13 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
13
With full pages
5
Scaffold SMILES

O=C1C=CC2(C=C1)CC1NCCc3cccc2c31

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 O=C1C=CC2(C=C1)CC1NCCc3cccc2c31

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

Glaziovine chemical structure, C18H19NO3, CAS 17127-48-9
Glaziovine
CAS 17127-48-9C18H19NO3
(8'aS)-2',3',8',8'A-tetrahydro-6'-hydroxy-5'-methoxy-1'-methylspiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one chemical structure, C18H19NO3, CAS 6808-72-6
(8'aS)-2',3',8',8'A-tetrahydro-6'-hydroxy-5'-methoxy-1'-methylspiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one
CAS 6808-72-6C18H19NO3
Stephaglabrine chemical structure, C36H40N2O10S, CAS 32410-24-5
Stephaglabrine
CAS 32410-24-5C36H40N2O10S
Stepharine chemical structure, C18H19NO3, CAS 2810-21-1
Stepharine
CAS 2810-21-1C18H19NO3
Pronuciferine chemical structure, C19H21NO3, CAS 2128-60-1
Pronuciferine
CAS 2128-60-1C19H21NO3
(8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one chemical structure, C20H21NO4, CAS 4880-87-9
(8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one
CAS 4880-87-9C20H21NO4
(R)-Pronuciferine chemical structure, C19H21NO3, CAS 17236-29-2
(R)-Pronuciferine
CAS 17236-29-2C19H21NO3
5-Acetyl-10-ethoxy-11-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one chemical structure, C21H23NO4, CAS 10214-74-1
5-Acetyl-10-ethoxy-11-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
CAS 10214-74-1C21H23NO4
N-Acetylstepharine chemical structure, C20H21NO4
N-Acetylstepharine
C20H21NO4
Pronuciferine, (-)- chemical structure, C19H21NO3, CAS 16654-37-8
Pronuciferine, (-)-
CAS 16654-37-8C19H21NO3
Methyl (8'aR)-2',3',8',8'a-tetrahydro-5',6'-dimethoxy-4-oxospiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinoline)-1'-carboxylate chemical structure, C20H21NO5, CAS 275355-87-8
Methyl (8'aR)-2',3',8',8'a-tetrahydro-5',6'-dimethoxy-4-oxospiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinoline)-1'-carboxylate
CAS 275355-87-8C20H21NO5
Pronuciferine hydrochloride chemical structure, C19H22ClNO3, CAS 1862-43-7
Pronuciferine hydrochloride
CAS 1862-43-7C19H22ClNO3
Orientalinone chemical structure, C19H21NO4, CAS 2689-17-0
Orientalinone
CAS 2689-17-0C19H21NO4