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Murcko scaffold

Ring system with 3 rings and 15 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
8
With full pages
3
Scaffold SMILES

O=C1OC2CCCOC2c2ccccc21

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=C1OC2CCCOC2c2ccccc21

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 8 of 8 chemicals

Bergenin chemical structure, C14H16O9, CAS 477-90-7
Bergenin
CAS 477-90-7C14H16O9
Norbergenin chemical structure, C13H14O9, CAS 79595-97-4
Norbergenin
CAS 79595-97-4C13H14O9
Bergenin hydrate chemical structure, C14H18O10, CAS 5956-63-8
Bergenin hydrate
CAS 5956-63-8C14H18O10
[3,4,8,10-Tetrakis(acetyloxy)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-2-yl]methyl acetate chemical structure, C24H26O14
[3,4,8,10-Tetrakis(acetyloxy)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-2-yl]methyl acetate
C24H26O14
Di-O-methylbergenin chemical structure, C16H20O9, CAS 33815-57-5
Di-O-methylbergenin
CAS 33815-57-5C16H20O9
Bergenin pentaacetate chemical structure, C24H26O14, CAS 14531-47-6
Bergenin pentaacetate
CAS 14531-47-6C24H26O14
[(2R,3R,4R,4aS,10bS)-3,4,8,10-Tetra(hexanoyloxy)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl hexanoate chemical structure, C44H66O14, CAS 1447947-03-6
[(2R,3R,4R,4aS,10bS)-3,4,8,10-Tetra(hexanoyloxy)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl hexanoate
CAS 1447947-03-6C44H66O14
(2R,3S,4S,4aR,10bS)-3,4,10-Trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-8-yl dodecanoate chemical structure, C26H38O10, CAS 3040028-14-3
(2R,3S,4S,4aR,10bS)-3,4,10-Trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-8-yl dodecanoate
CAS 3040028-14-3C26H38O10