CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 27 atoms

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
27
Chemicals
17
With full pages
5
Scaffold SMILES

O=C1CC(c2ccc3c(c2)OC(c2ccccc2)CO3)Oc2ccccc21

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=C1CC(c2ccc3c(c2)OC(c2ccccc2)CO3)Oc2ccccc21

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 17 of 17 chemicals

Silymarin chemical structure, C25H22O10, CAS 65666-07-1
Silymarin
CAS 65666-07-1C25H22O10
Silibinin chemical structure, C25H22O10, CAS 22888-70-6
Silibinin
CAS 22888-70-6C25H22O10
Silibinin A dihemisuccinate disodium chemical structure, C33H28Na2O16, CAS 55254-34-7
Silibinin A dihemisuccinate disodium
CAS 55254-34-7C33H28Na2O16
Silibinin dihemisuccinate chemical structure, C33H30O16, CAS 34482-56-9
Silibinin dihemisuccinate
CAS 34482-56-9C33H30O16
Disilybin chemical structure, C50H44O20, CAS 56316-49-5
Disilybin
CAS 56316-49-5C50H44O20
Silibinin B chemical structure, C25H22O10, CAS 142797-34-0
Silibinin B
CAS 142797-34-0C25H22O10
Silybin (mixture of Silybin A and Silybin B) chemical structure, C25H22O10, CAS 36804-17-8
Silybin (mixture of Silybin A and Silybin B)
CAS 36804-17-8C25H22O10
5,7-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one chemical structure, C25H22O9, CAS 1212311-73-3
5,7-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
CAS 1212311-73-3C25H22O9
Isosilandrin A chemical structure, C25H22O9, CAS 848420-95-1
Isosilandrin A
CAS 848420-95-1C25H22O9
2-[2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3-hydroxy-4H-1-benzopyran-4-one chemical structure, C25H22O8, CAS 322725-64-4
2-[2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3-hydroxy-4H-1-benzopyran-4-one
CAS 322725-64-4C25H22O8
Silybin 11-o-phosphate sodium salt chemical structure, C25H22NaO13P, CAS 158059-03-1
Silybin 11-o-phosphate sodium salt
CAS 158059-03-1C25H22NaO13P
(2R,3R)-3,5,7-Trihydroxy-2-((2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one chemical structure, C25H22O10, CAS 196611-20-8
(2R,3R)-3,5,7-Trihydroxy-2-((2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one
CAS 196611-20-8C25H22O10
Isocisilandrin chemical structure, C25H22O9, CAS 1021297-35-7
Isocisilandrin
CAS 1021297-35-7C25H22O9
Isosilandrin B chemical structure, C25H22O9, CAS 1021297-34-6
Isosilandrin B
CAS 1021297-34-6C25H22O9
Silibinin B dihemisuccinate disodium chemical structure, C33H28Na2O16, CAS 1265089-65-3
Silibinin B dihemisuccinate disodium
CAS 1265089-65-3C33H28Na2O16
Silibinin B dihemisuccinate chemical structure, C33H30O16, CAS 1265277-36-8
Silibinin B dihemisuccinate
CAS 1265277-36-8C33H30O16
Legalon SIL chemical structure, C66H56Na4O32, CAS 1265089-66-4
Legalon SIL
CAS 1265089-66-4C66H56Na4O32