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Murcko scaffold

Ring system with 5 rings and 23 atoms

41 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
23
Chemicals
41
With full pages
11
Scaffold SMILES

O=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccccc21

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)c2ccccc21

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 41 of 41 chemicals

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]- chemical structure, C21H21NO6, CAS 60594-55-0
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-
CAS 60594-55-0C21H21NO6
Gnoscopine chemical structure, C22H23NO7, CAS 6035-40-1
Gnoscopine
CAS 6035-40-1C22H23NO7
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (R-(R*,R*))- chemical structure, C22H23NO8, CAS 1850-90-4
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (R-(R*,R*))-
CAS 1850-90-4C22H23NO8
(-)-Beta-narcotine chemical structure, C22H23NO7, CAS 3860-46-6
(-)-Beta-narcotine
CAS 3860-46-6C22H23NO7
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (S-(R*,S*))- chemical structure, C22H23NO8, CAS 54383-36-7
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (S-(R*,S*))-
CAS 54383-36-7C22H23NO8
Tritoqualine chemical structure, C26H32N2O8, CAS 14504-73-5
Tritoqualine
CAS 14504-73-5C26H32N2O8
Noscapine embonate chemical structure, C45H39NO13, CAS 106611-48-7
Noscapine embonate
CAS 106611-48-7C45H39NO13
Duopect chemical structure, C32H38ClNO12, CAS 76404-10-9
Duopect
CAS 76404-10-9C32H38ClNO12
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)- chemical structure, C21H22ClNO6, CAS 5936-28-7
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-
CAS 5936-28-7C21H22ClNO6
(-)-Hydrastine chemical structure, C21H21NO6, CAS 118-08-1
(-)-Hydrastine
CAS 118-08-1C21H21NO6
Hydrastine sulfate chemical structure, C21H23NO10S, CAS 7400-89-7
Hydrastine sulfate
CAS 7400-89-7C21H23NO10S
Narcotine, (+)- chemical structure, C22H23NO7, CAS 35933-64-3
Narcotine, (+)-
CAS 35933-64-3C22H23NO7
Noscapine chemical structure, C22H23NO7, CAS 128-62-1
Noscapine
CAS 128-62-1C22H23NO7
(-)-alpha-Hydrastine chemical structure, C21H21NO6
(-)-alpha-Hydrastine
C21H21NO6
Narcotoline chemical structure, C21H21NO7, CAS 521-40-4
Narcotoline
CAS 521-40-4C21H21NO7
(+)-Hydrastine chemical structure, C21H21NO6, CAS 29617-43-4
(+)-Hydrastine
CAS 29617-43-4C21H21NO6
Noscapine hydrochloride chemical structure, C22H24ClNO7, CAS 912-60-7
Noscapine hydrochloride
CAS 912-60-7C22H24ClNO7
9-Bromonoscapine chemical structure, C22H22BrNO7, CAS 488721-01-3
9-Bromonoscapine
CAS 488721-01-3C22H22BrNO7
Norgnoscopine hydrochloride chemical structure, C21H21NO7
Norgnoscopine hydrochloride
C21H21NO7
7-O-Demethyl a-narcotine chemical structure, C21H21NO7, CAS 68353-55-9
7-O-Demethyl a-narcotine
CAS 68353-55-9C21H21NO7
1(3H)-Isobenzofuranone, 3-((5R)-9-chloro-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-, (3S)- chemical structure, C22H22ClNO7, CAS 887497-12-3
1(3H)-Isobenzofuranone, 3-((5R)-9-chloro-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-, (3S)-
CAS 887497-12-3C22H22ClNO7
Fluvaleas chemical structure, C72H94ClIN10O15, CAS 79682-26-1
Fluvaleas
CAS 79682-26-1C72H94ClIN10O15
Neo-fluvaleas chemical structure, C78H98Cl2IN9O13, CAS 79682-27-2
Neo-fluvaleas
CAS 79682-27-2C78H98Cl2IN9O13
5-(4,5-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6,6-dimethyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide chemical structure, C22H24INO6, CAS 51390-68-2
5-(4,5-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6,6-dimethyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
CAS 51390-68-2C22H24INO6