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Murcko scaffold

Ring system with 4 rings and 24 atoms

19 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
19
With full pages
5
Scaffold SMILES

O=c1cc(-c2cccc(OC3CCCCO3)c2)oc2ccccc12

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(-c2cccc(OC3CCCCO3)c2)oc2ccccc12

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 19 of 19 chemicals

Myricetin 3'-glucoside chemical structure, C21H20O13, CAS 520-14-9
Myricetin 3'-glucoside
CAS 520-14-9C21H20O13
Myricomplanoside chemical structure, C22H22O13, CAS 123442-26-2
Myricomplanoside
CAS 123442-26-2C22H22O13
Luteolin 3'-O-glucuronide chemical structure, C21H18O12, CAS 53527-42-7
Luteolin 3'-O-glucuronide
CAS 53527-42-7C21H18O12
3,5,7-Trihydroxy-2-(4-hydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one chemical structure, C21H20O12, CAS 1189335-34-9
3,5,7-Trihydroxy-2-(4-hydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one
CAS 1189335-34-9C21H20O12
Quercetin-3'-glucuronide chemical structure, C21H18O13, CAS 328006-77-5
Quercetin-3'-glucuronide
CAS 328006-77-5C21H18O13
5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside chemical structure, C23H24O12, CAS 113963-38-5
5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside
CAS 113963-38-5C23H24O12
Luteolin 3'-glucoside chemical structure, C21H20O11, CAS 5154-41-6
Luteolin 3'-glucoside
CAS 5154-41-6C21H20O11
Quercetin 3-methyl ether 3'-xyloside chemical structure, C21H20O11, CAS 93373-16-1
Quercetin 3-methyl ether 3'-xyloside
CAS 93373-16-1C21H20O11
Quercetin 3'-glucoside chemical structure, C21H20O12, CAS 19254-30-9
Quercetin 3'-glucoside
CAS 19254-30-9C21H20O12
Quercetin 3-methyl ether 3'-glucoside chemical structure, C22H22O12, CAS 115473-28-4
Quercetin 3-methyl ether 3'-glucoside
CAS 115473-28-4C22H22O12
Myricetin 3'-rhamnoside chemical structure, C21H20O12, CAS 38537-01-8
Myricetin 3'-rhamnoside
CAS 38537-01-8C21H20O12
Gossypetin 3'-O-glucoside chemical structure, C21H20O13, CAS 777080-67-8
Gossypetin 3'-O-glucoside
CAS 777080-67-8C21H20O13
Luteolin-3'-D-glucuronide [M+H]+ chemical structure, C21H18O12
Luteolin-3'-D-glucuronide [M+H]+
C21H18O12
Diosmetin-3-O-glucuronide chemical structure, C22H20O12, CAS 152503-50-9
Diosmetin-3-O-glucuronide
CAS 152503-50-9C22H20O12
Floramanoside B chemical structure, C21H20O14, CAS 1487423-50-6
Floramanoside B
CAS 1487423-50-6C21H20O14
Luteolin 3'-galacturonide chemical structure, C21H18O12, CAS 56317-12-5
Luteolin 3'-galacturonide
CAS 56317-12-5C21H18O12
2-(3-(beta-D-Glucopyranosyloxy)-4-hydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one chemical structure, C22H22O12, CAS 112208-84-1
2-(3-(beta-D-Glucopyranosyloxy)-4-hydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS 112208-84-1C22H22O12
Myricetin 3,7,3'-trimethyl ether 5'-O-glucoside chemical structure, C24H26O13, CAS 2170444-56-9
Myricetin 3,7,3'-trimethyl ether 5'-O-glucoside
CAS 2170444-56-9C24H26O13
Dracocephaloside, 7-(hydrogen sulfate), monopotassium salt chemical structure, C21H19KO14S, CAS 33530-70-0
Dracocephaloside, 7-(hydrogen sulfate), monopotassium salt
CAS 33530-70-0C21H19KO14S