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Murcko scaffold

Ring system with 5 rings and 32 atoms

16 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
16
With full pages
2
Scaffold SMILES

O=c1c(-c2ccccc2)coc2cc(OC3CCCC(COC4CCCCO4)O3)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=c1c(-c2ccccc2)coc2cc(OC3CCCC(COC4CCCCO4)O3)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 16 of 16 chemicals

Biochanin A 7-O-B-D-gentiobioside chemical structure, C28H32O15, CAS 63770-90-1
Biochanin A 7-O-B-D-gentiobioside
CAS 63770-90-1C28H32O15
Kakkalide chemical structure, C28H32O15, CAS 58274-56-9
Kakkalide
CAS 58274-56-9C28H32O15
Germanaism C chemical structure, C30H36O18, CAS 696663-52-2
Germanaism C
CAS 696663-52-2C30H36O18
Npc158558 chemical structure, C27H30O13, CAS 102390-91-0
Npc158558
CAS 102390-91-0C27H30O13
Biochanin A 7-O-xylosyl-(1->6)-glucoside chemical structure, C27H30O14, CAS 63770-91-2
Biochanin A 7-O-xylosyl-(1->6)-glucoside
CAS 63770-91-2C27H30O14
5-Hydroxy-3-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one chemical structure, C28H32O14, CAS 53840-60-1
5-Hydroxy-3-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
CAS 53840-60-1C28H32O14
Calycosin 7-O-xylosylglucoside chemical structure, C27H30O14, CAS 224957-12-4
Calycosin 7-O-xylosylglucoside
CAS 224957-12-4C27H30O14
Sphaerobioside chemical structure, C27H30O14, CAS 14988-20-6
Sphaerobioside
CAS 14988-20-6C27H30O14
Formononetin 7-O-rutinoside chemical structure, C28H32O13, CAS 51351-35-0
Formononetin 7-O-rutinoside
CAS 51351-35-0C28H32O13
Npc208554 chemical structure, C27H30O15, CAS 231288-19-0
Npc208554
CAS 231288-19-0C27H30O15
6''-O-Xylosyl-glycitin chemical structure, C27H30O14, CAS 231288-18-9
6''-O-Xylosyl-glycitin
CAS 231288-18-9C27H30O14
Tectorigenin 7-O-gentiobioside chemical structure, C28H32O16, CAS 67604-94-8
Tectorigenin 7-O-gentiobioside
CAS 67604-94-8C28H32O16
Iristectorin A-6''-O-glucoside chemical structure, C29H34O17, CAS 86849-71-0
Iristectorin A-6''-O-glucoside
CAS 86849-71-0C29H34O17
Kushenol O chemical structure, C27H30O13
Kushenol O
C27H30O13
5-Hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one chemical structure, C26H28O14, CAS 224957-09-9
5-Hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CAS 224957-09-9C26H28O14
Orb2813764 chemical structure, C27H30O16, CAS 2408020-53-9
Orb2813764
CAS 2408020-53-9C27H30O16