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Murcko scaffold

Ring system with 3 rings and 20 atoms

35 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
35
With full pages
25
Scaffold SMILES

C=C1CCCC(=O)OCC2=CCN3CCC(OC1=O)C23

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=C1CCCC(=O)OCC2=CCN3CCC(OC1=O)C23

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 35 of 35 chemicals

4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H25NO5, CAS 480-80-8
4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
CAS 480-80-8C18H25NO5
(1R,6R,7S,17R)-4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H25NO7
(1R,6R,7S,17R)-4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H25NO7
Senecivernine chemical structure, C18H25NO5, CAS 72755-25-0
Senecivernine
CAS 72755-25-0C18H25NO5
4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H25NO7
4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H25NO7
Senecionine chemical structure, C18H25NO5, CAS 130-01-8
Senecionine
CAS 130-01-8C18H25NO5
(+)-Anacrotine chemical structure, C18H25NO6, CAS 5096-49-1
(+)-Anacrotine
CAS 5096-49-1C18H25NO6
Integerrimine chemical structure, C18H25NO5, CAS 480-79-5
Integerrimine
CAS 480-79-5C18H25NO5
Retrorsine impurity 1 chemical structure, C18H25NO7
Retrorsine impurity 1
C18H25NO7
Retrorsine chemical structure, C18H25NO6, CAS 480-54-6
Retrorsine
CAS 480-54-6C18H25NO6
Usaramine chemical structure, C18H25NO6, CAS 15503-87-4
Usaramine
CAS 15503-87-4C18H25NO6
Senecionine N-oxide chemical structure, C18H25NO6, CAS 13268-67-2
Senecionine N-oxide
CAS 13268-67-2C18H25NO6
Integerrimine N-oxide chemical structure, C18H25NO6, CAS 85955-28-8
Integerrimine N-oxide
CAS 85955-28-8C18H25NO6
(1R,4E,6R,7R,17S)-4-Ethylidene-7,17-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C19H28NO6+, CAS 6882-01-5
(1R,4E,6R,7R,17S)-4-Ethylidene-7,17-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
CAS 6882-01-5C19H28NO6+
Ligularine chemical structure, C23H32NO9+, CAS 34429-54-4
Ligularine
CAS 34429-54-4C23H32NO9+
Retrorsine, hydrochloride chemical structure, C18H26ClNO6, CAS 36168-23-7
Retrorsine, hydrochloride
CAS 36168-23-7C18H26ClNO6
7-Hydroxy-5,6,7-trimethyl-4-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H25NO6
7-Hydroxy-5,6,7-trimethyl-4-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H25NO6
(1R,4Z,6S,7S,17R)-4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H25NO7
(1R,4Z,6S,7S,17R)-4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H25NO7
(1R,4E,6R,7S,17R)-4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14lambda5-azatricyclo(9.5.1.014,17)heptadec-11-ene-3,8,14-trione chemical structure, C18H25NO7, CAS 117020-54-9
(1R,4E,6R,7S,17R)-4-Ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14lambda5-azatricyclo(9.5.1.014,17)heptadec-11-ene-3,8,14-trione
CAS 117020-54-9C18H25NO7
Hydroxysenkirkine chemical structure, C19H28NO7+, CAS 26782-43-4
Hydroxysenkirkine
CAS 26782-43-4C19H28NO7+
Isatidine chemical structure, C18H25NO7, CAS 15503-86-3
Isatidine
CAS 15503-86-3C18H25NO7
Acetylgynuramine chemical structure, C20H27NO7, CAS 85547-34-8
Acetylgynuramine
CAS 85547-34-8C20H27NO7
Crotastriatine chemical structure, C19H25NO6, CAS 11051-94-8
Crotastriatine
CAS 11051-94-8C19H25NO6
[(1R,4Z,6R,7S,17R)-4-Ethylidene-6-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate chemical structure, C19H25NO6
[(1R,4Z,6R,7S,17R)-4-Ethylidene-6-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
C19H25NO6
19-Hydroxysenecionine chemical structure, C18H25NO6, CAS 85611-43-4
19-Hydroxysenecionine
CAS 85611-43-4C18H25NO6