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Murcko scaffold

Ring system with 6 rings and 26 atoms

11 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
26
Chemicals
11
With full pages
8
Scaffold SMILES

O=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccc3c(c21)OCO3

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=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccc3c(c21)OCO3

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 11 of 11 chemicals

Bicuculline chemical structure, C20H17NO6, CAS 485-49-4
Bicuculline
CAS 485-49-4C20H17NO6
1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6R)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)- chemical structure, C21H20INO6, CAS 40709-69-1
1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6R)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-
CAS 40709-69-1C21H20INO6
Capnoidine chemical structure, C20H17NO6, CAS 485-50-7
Capnoidine
CAS 485-50-7C20H17NO6
(6S)-6-((5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one chemical structure, C20H17NO6, CAS 550-49-2
(6S)-6-((5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one
CAS 550-49-2C20H17NO6
(5s)-6,6-Dimethyl-5-[(6r)-6-methyl-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride chemical structure, C22H22ClNO6, CAS 71538-43-7
(5s)-6,6-Dimethyl-5-[(6r)-6-methyl-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
CAS 71538-43-7C22H22ClNO6
(R-(R*,S*))-5-(6,8-Dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo(4,5-g)isoquinolinium bromide chemical structure, C21H20BrNO6, CAS 73604-30-5
(R-(R*,S*))-5-(6,8-Dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo(4,5-g)isoquinolinium bromide
CAS 73604-30-5C21H20BrNO6
(-)-Bicuculline methiodide chemical structure, C21H20INO6, CAS 55950-07-7
(-)-Bicuculline methiodide
CAS 55950-07-7C21H20INO6
(-)-Bicuculline chemical structure, C20H17NO6, CAS 56083-00-2
(-)-Bicuculline
CAS 56083-00-2C20H17NO6
Bicuculline methobromide chemical structure, C21H20BrNO6, CAS 66016-70-4
Bicuculline methobromide
CAS 66016-70-4C21H20BrNO6
Bicuculline methochloride chemical structure, C21H20ClNO6, CAS 38641-83-7
Bicuculline methochloride
CAS 38641-83-7C21H20ClNO6
(-)-Bicuculline methochloride chemical structure, C21H20ClNO6, CAS 53552-05-9
(-)-Bicuculline methochloride
CAS 53552-05-9C21H20ClNO6