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Murcko scaffold

Ring system with 3 rings and 19 atoms

23 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
23
With full pages
2
Scaffold SMILES

O=C1CCCCC(=O)OC2CCN3CC=C(CO1)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 O=C1CCCCC(=O)OC2CCN3CC=C(CO1)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 23 of 23 chemicals

Jaconine hydrochloride chemical structure, C18H27Cl2NO6, CAS 7251-11-8
Jaconine hydrochloride
CAS 7251-11-8C18H27Cl2NO6
Crotananine chemical structure, C17H25NO5, CAS 71295-28-8
Crotananine
CAS 71295-28-8C17H25NO5
Sceleratine chemical structure, C18H27NO7
Sceleratine
C18H27NO7
Yamataimine chemical structure, C18H27NO5, CAS 67113-69-3
Yamataimine
CAS 67113-69-3C18H27NO5
Bisline chemical structure, C18H27NO6, CAS 30258-28-7
Bisline
CAS 30258-28-7C18H27NO6
Isoline chemical structure, C20H29NO7, CAS 30000-36-3
Isoline
CAS 30000-36-3C20H29NO7
Jaconine chemical structure, C18H26ClNO6, CAS 480-75-1
Jaconine
CAS 480-75-1C18H26ClNO6
Jacoline chemical structure, C18H27NO7, CAS 480-76-2
Jacoline
CAS 480-76-2C18H27NO7
4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO7
4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO7
(1R,6S,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO7
(1R,6S,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO7
Jacoline N-oxide chemical structure, C18H27NO8, CAS 1148039-73-9
Jacoline N-oxide
CAS 1148039-73-9C18H27NO8
Merenskine chemical structure, C18H26ClNO6, CAS 96657-94-2
Merenskine
CAS 96657-94-2C18H26ClNO6
Merenskine N-oxide chemical structure, C18H26ClNO7, CAS 96657-95-3
Merenskine N-oxide
CAS 96657-95-3C18H26ClNO7
Sceleratine N-oxide chemical structure, C18H27NO8
Sceleratine N-oxide
C18H27NO8
4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO8
4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO8
Sceleratin chemical structure, C18H27NO7, CAS 6190-25-6
Sceleratin
CAS 6190-25-6C18H27NO7
8,15,20-Trihydroxy-4-methyl-11,16-dioxo-15,20-dihydrosenecionan-4-ium-12-yl acetate chemical structure, C21H32NO9+, CAS 30484-73-2
8,15,20-Trihydroxy-4-methyl-11,16-dioxo-15,20-dihydrosenecionan-4-ium-12-yl acetate
CAS 30484-73-2C21H32NO9+
(1R,4S,5R,7R,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO7
(1R,4S,5R,7R,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO7
(1R,4S,7R,17R)-4,7-Dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO8
(1R,4S,7R,17R)-4,7-Dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO8
(1R,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO8
(1R,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO8
(1R,6R,7R,17R)-4,7-Dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO8
(1R,6R,7R,17R)-4,7-Dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO8
(1R,4S,5R,6R,7R,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO8, CAS 103184-92-5
(1R,4S,5R,6R,7R,17R)-4,7-Dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
CAS 103184-92-5C18H27NO8
(1R,4R,6R,7S,17R)-4,7-Dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione chemical structure, C18H27NO8
(1R,4R,6R,7S,17R)-4,7-Dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C18H27NO8