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Murcko scaffold

Ring system with 5 rings and 22 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
22
Chemicals
10
With full pages
0
Scaffold SMILES

O=C1C=CC23COc4c5c(cc(c42)CCCCC3=C1)OCO5

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=C1C=CC23COc4c5c(cc(c42)CCCCC3=C1)OCO5

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 10 of 10 chemicals

(19,20-Dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl) (E)-2-methylbut-2-enoate chemical structure, C27H30O8
(19,20-Dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl) (E)-2-methylbut-2-enoate
C27H30O8
rel-(-)-(6R,7R,8R,14aS)-5,6,7,8-Tetrahydro-1,2-dimethoxy-6,7-dimethyl-3-oxo-3H,14H-benzo[1,8]cycloocta[1,2,3-cd][1,3]dioxolo[4,5-g]benzofuran-8-yl (2Z)-2-methyl-2-butenoate chemical structure, C27H30O8
rel-(-)-(6R,7R,8R,14aS)-5,6,7,8-Tetrahydro-1,2-dimethoxy-6,7-dimethyl-3-oxo-3H,14H-benzo[1,8]cycloocta[1,2,3-cd][1,3]dioxolo[4,5-g]benzofuran-8-yl (2Z)-2-methyl-2-butenoate
C27H30O8
Interiorin C chemical structure, C24H26O8, CAS 133360-39-1
Interiorin C
CAS 133360-39-1C24H26O8
Kadsuralignan F chemical structure, C29H32O11, CAS 142674-81-5
Kadsuralignan F
CAS 142674-81-5C29H32O11
(19,20-Dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl) 2-methylbut-2-enoate chemical structure, C27H30O8
(19,20-Dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl) 2-methylbut-2-enoate
C27H30O8
HeteroclitalignanC chemical structure, C30H34O11, CAS 911052-16-9
HeteroclitalignanC
CAS 911052-16-9C30H34O11
KadsulignanG chemical structure, C32H36O11, CAS 142674-82-6
KadsulignanG
CAS 142674-82-6C32H36O11
Interiorin chemical structure, C27H30O8, CAS 119139-55-8
Interiorin
CAS 119139-55-8C27H30O8
Kadsutherin F chemical structure, C27H30O9, CAS 2692637-03-7
Kadsutherin F
CAS 2692637-03-7C27H30O9
Interiorin B chemical structure, C27H30O8, CAS 133442-66-7
Interiorin B
CAS 133442-66-7C27H30O8