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Murcko scaffold

Ring system with 4 rings and 21 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
9
With full pages
5
Scaffold SMILES

O=C1CCCC2(CO2)C(=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=C1CCCC2(CO2)C(=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 9 of 9 chemicals

(4S)-7-Hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione chemical structure, C18H25NO6
(4S)-7-Hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
C18H25NO6
Fukinotoxin (conjugate acid) chemical structure, C19H28NO7+, CAS 60132-19-6
Fukinotoxin (conjugate acid)
CAS 60132-19-6C19H28NO7+
Jacobine chemical structure, C18H25NO6, CAS 6870-67-3
Jacobine
CAS 6870-67-3C18H25NO6
(15alpha,20R)15,20-Epoxy-15,20-dihydro-12-hydroxy-senecionan-11,16-dione chemical structure, C18H25NO6, CAS 471-14-7
(15alpha,20R)15,20-Epoxy-15,20-dihydro-12-hydroxy-senecionan-11,16-dione
CAS 471-14-7C18H25NO6
Jacobine N-oxide chemical structure, C18H25NO7, CAS 38710-25-7
Jacobine N-oxide
CAS 38710-25-7C18H25NO7
Jacobine impurity 2 chemical structure, C18H25NO7
Jacobine impurity 2
C18H25NO7
Merepoxine chemical structure, C18H25NO6, CAS 115777-94-1
Merepoxine
CAS 115777-94-1C18H25NO6
7-Hydroxy-3',6,7-trimethyl-14-oxidospiro[2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione chemical structure, C18H25NO7
7-Hydroxy-3',6,7-trimethyl-14-oxidospiro[2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
C18H25NO7
(1R,3'S,7R,17R)-7-Hydroxy-3',6,7-trimethyl-14-oxidospiro[2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione chemical structure, C18H25NO7
(1R,3'S,7R,17R)-7-Hydroxy-3',6,7-trimethyl-14-oxidospiro[2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
C18H25NO7