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Murcko scaffold

Ring system with 5 rings and 19 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
19
Chemicals
12
With full pages
2
Scaffold SMILES

O=C1CCC2C3CCC4CCCC4C3CCC23OC13

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=C1CCC2C3CCC4CCCC4C3CCC23OC13

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 12 of 12 chemicals

4beta,5beta-Epoxypregnane-3,20-dione chemical structure, C21H30O3, CAS 17597-24-9
4beta,5beta-Epoxypregnane-3,20-dione
CAS 17597-24-9C21H30O3
4,5-Epoxypregnane-3,20-dione chemical structure, C21H30O3, CAS 17503-05-8
4,5-Epoxypregnane-3,20-dione
CAS 17503-05-8C21H30O3
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one chemical structure, C19H28O3, CAS 2189-83-5
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one
CAS 2189-83-5C19H28O3
3-Oxo-4,5-epoxyandrostan-17-yl acetate chemical structure, C21H30O4, CAS 5012-85-1
3-Oxo-4,5-epoxyandrostan-17-yl acetate
CAS 5012-85-1C21H30O4
Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-, (2alpha,4alpha,5alpha,17beta)- chemical structure, C22H31NO3, CAS 71507-79-4
Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-, (2alpha,4alpha,5alpha,17beta)-
CAS 71507-79-4C22H31NO3
4,5-Epoxy-19-nortestosterone chemical structure, C18H26O3, CAS 52153-24-9
4,5-Epoxy-19-nortestosterone
CAS 52153-24-9C18H26O3
(1S,2R,11S,12S,15S,16S)-15-Hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one chemical structure, C19H28O3, CAS 51154-10-0
(1S,2R,11S,12S,15S,16S)-15-Hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
CAS 51154-10-0C19H28O3
Levonorgestrel-4beta,5-oxide chemical structure, C21H28O3, CAS 51267-67-5
Levonorgestrel-4beta,5-oxide
CAS 51267-67-5C21H28O3
Norethisterone 4beta,5-oxide chemical structure, C20H26O3, CAS 51267-63-1
Norethisterone 4beta,5-oxide
CAS 51267-63-1C20H26O3
4,5-Epoxy-17-hydroxy-2-methylsulfonyl-3-androstanone chemical structure, C20H30O5S, CAS 149950-20-9
4,5-Epoxy-17-hydroxy-2-methylsulfonyl-3-androstanone
CAS 149950-20-9C20H30O5S
(1S,2R,11R,12S,15R,16S)-16-Ethyl-15-ethynyl-15-hydroxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one chemical structure, C21H28O3, CAS 25073-30-7
(1S,2R,11R,12S,15R,16S)-16-Ethyl-15-ethynyl-15-hydroxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
CAS 25073-30-7C21H28O3
(1S,2R,6S,8S,11S,12S,15S,16S)-15-Hydroxy-2,15,16-trimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one chemical structure, C20H30O3, CAS 30493-58-4
(1S,2R,6S,8S,11S,12S,15S,16S)-15-Hydroxy-2,15,16-trimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
CAS 30493-58-4C20H30O3