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Murcko scaffold

Ring system with 5 rings and 31 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
12
With full pages
3
Scaffold SMILES

O=c1cc(-c2ccc(OC3CCCCO3)cc2)oc2cc(OC3CCCCO3)ccc12

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(-c2ccc(OC3CCCCO3)cc2)oc2cc(OC3CCCCO3)ccc12

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

Apigenin 7,4'-diglucoside chemical structure, C27H30O15, CAS 31737-50-5
Apigenin 7,4'-diglucoside
CAS 31737-50-5C27H30O15
Quercetin 7,4'-diglucoside chemical structure, C27H30O17, CAS 42900-82-3
Quercetin 7,4'-diglucoside
CAS 42900-82-3C27H30O17
Apigenin 7,4'-diglucoside chemical structure, C27H30O15
Apigenin 7,4'-diglucoside
C27H30O15
Apigenin 7,4'-di-O-alloside chemical structure, C27H30O15, CAS 95693-63-3
Apigenin 7,4'-di-O-alloside
CAS 95693-63-3C27H30O15
Luteolin 7,4'-diglucoside chemical structure, C27H30O16, CAS 70404-47-6
Luteolin 7,4'-diglucoside
CAS 70404-47-6C27H30O16
Pedunculosumoside B chemical structure, C33H40O17, CAS 1283600-04-3
Pedunculosumoside B
CAS 1283600-04-3C33H40O17
Pedunculosumoside F chemical structure, C28H32O17, CAS 1283600-08-7
Pedunculosumoside F
CAS 1283600-08-7C28H32O17
3-O-Methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside chemical structure, C28H32O17, CAS 47858-32-2
3-O-Methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside
CAS 47858-32-2C28H32O17
Kaempferol 7,4'-diglucoside chemical structure, C27H30O16, CAS 87338-64-5
Kaempferol 7,4'-diglucoside
CAS 87338-64-5C27H30O16
Kaempferol 7-O-alpha-L-rhamnopyranoside-4'-O-beta-D-glucopyranoside chemical structure, C27H30O15, CAS 205876-37-5
Kaempferol 7-O-alpha-L-rhamnopyranoside-4'-O-beta-D-glucopyranoside
CAS 205876-37-5C27H30O15
2-(4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-galactopyranosiduronic acid chemical structure, C27H28O17, CAS 126207-52-1
2-(4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-galactopyranosiduronic acid
CAS 126207-52-1C27H28O17
4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid chemical structure, C28H28O18, CAS 80366-06-9
4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid
CAS 80366-06-9C28H28O18