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Murcko scaffold

Ring system with 5 rings and 29 atoms

33 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
33
With full pages
10
Scaffold SMILES

O=c1cc(-c2ccccc2)oc2c(C3CCCCO3)cc(C3CCCCO3)cc12

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(-c2ccccc2)oc2c(C3CCCCO3)cc(C3CCCCO3)cc12

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 33 of 33 chemicals

Apigenin 6,8-digalactoside chemical structure, C27H30O15, CAS 82043-11-6
Apigenin 6,8-digalactoside
CAS 82043-11-6C27H30O15
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one chemical structure, C26H28O15
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
C26H28O15
6,8-Di-C-beta-D-arabinopyranosyl apigenin chemical structure, C25H26O13, CAS 107911-03-5
6,8-Di-C-beta-D-arabinopyranosyl apigenin
CAS 107911-03-5C25H26O13
Vicenin 3 chemical structure, C26H28O14, CAS 59914-91-9
Vicenin 3
CAS 59914-91-9C26H28O14
Carlinoside chemical structure, C26H28O15, CAS 59952-97-5
Carlinoside
CAS 59952-97-5C26H28O15
Lucenin-2 chemical structure, C27H30O16, CAS 29428-58-8
Lucenin-2
CAS 29428-58-8C27H30O16
Neocarlinoside chemical structure, C26H28O15, CAS 83151-89-7
Neocarlinoside
CAS 83151-89-7C26H28O15
Neoschaftoside chemical structure, C26H28O14, CAS 61328-41-4
Neoschaftoside
CAS 61328-41-4C26H28O14
Schaftoside chemical structure, C26H28O14, CAS 51938-32-0
Schaftoside
CAS 51938-32-0C26H28O14
Vicenin-2 chemical structure, C27H30O15, CAS 23666-13-9
Vicenin-2
CAS 23666-13-9C27H30O15
Violanthin chemical structure, C27H30O14, CAS 40581-17-7
Violanthin
CAS 40581-17-7C27H30O14
Isoschaftoside chemical structure, C26H28O14, CAS 52012-29-0
Isoschaftoside
CAS 52012-29-0C26H28O14
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one chemical structure, C26H28O14, CAS 207461-10-7
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
CAS 207461-10-7C26H28O14
Corymboside chemical structure, C26H28O14
Corymboside
C26H28O14
6-I+/--L-Arabinopyranosyl-8-I(2)-L-arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one chemical structure, C25H26O13
6-I+/--L-Arabinopyranosyl-8-I(2)-L-arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
C25H26O13
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one chemical structure, C26H28O14, CAS 73543-87-0
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
CAS 73543-87-0C26H28O14
Vicenin 1 chemical structure, C26H28O14, CAS 35927-38-9
Vicenin 1
CAS 35927-38-9C26H28O14
Stellarin 2 chemical structure, C28H32O16, CAS 63975-58-6
Stellarin 2
CAS 63975-58-6C28H32O16
Apigenin 6,8-di-C-|A-L-arabinopyranoside chemical structure, C25H26O13, CAS 73140-47-3
Apigenin 6,8-di-C-|A-L-arabinopyranoside
CAS 73140-47-3C25H26O13
Apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-xylopyranoside chemical structure, C25H26O13, CAS 677021-30-6
Apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-xylopyranoside
CAS 677021-30-6C25H26O13
Apigenin-6-C-|A-D-xylopyranosyl-8-C-|A-L-arabinopyranoside chemical structure, C25H26O13, CAS 85700-46-5
Apigenin-6-C-|A-D-xylopyranosyl-8-C-|A-L-arabinopyranoside
CAS 85700-46-5C25H26O13
Isocarlinoside chemical structure, C26H28O15, CAS 83151-90-0
Isocarlinoside
CAS 83151-90-0C26H28O15
Chrysin 6-C-glucoside 8-C-arabinoside chemical structure, C26H28O13, CAS 185145-34-0
Chrysin 6-C-glucoside 8-C-arabinoside
CAS 185145-34-0C26H28O13
Chrysin 6-C-arabinoside 8-C-glucoside chemical structure, C26H28O13, CAS 185145-33-9
Chrysin 6-C-arabinoside 8-C-glucoside
CAS 185145-33-9C26H28O13