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Murcko scaffold

Ring system with 7 rings and 37 atoms

54 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
37
Chemicals
54
With full pages
10
Scaffold SMILES

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

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=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

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 48 of 54 chemicals

Digoxigenin bisdigitoxoside chemical structure, C35H54O11, CAS 5297-05-2
Digoxigenin bisdigitoxoside
CAS 5297-05-2C35H54O11
Olitoriside chemical structure, C35H52O14, CAS 13289-20-8
Olitoriside
CAS 13289-20-8C35H52O14
Convalloside chemical structure, C35H52O15, CAS 13473-51-3
Convalloside
CAS 13473-51-3C35H52O15
Erichroside chemical structure, C34H50O13, CAS 630-65-9
Erichroside
CAS 630-65-9C34H50O13
Evobioside chemical structure, C35H54O13, CAS 79435-42-0
Evobioside
CAS 79435-42-0C35H54O13
Glucodigifucoside chemical structure, C35H54O13, CAS 2446-63-1
Glucodigifucoside
CAS 2446-63-1C35H54O13
Urechitoxin chemical structure, C38H58O14, CAS 56774-61-9
Urechitoxin
CAS 56774-61-9C38H58O14
Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside chemical structure, C35H54O12, CAS 88673-30-7
Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside
CAS 88673-30-7C35H54O12
3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide chemical structure, C34H50O14, CAS 99520-71-5
3-[(6-Deoxy-4-O-pentopyranosylhexopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide
CAS 99520-71-5C34H50O14
Glucostrebloside chemical structure, C37H56O15, CAS 4418-21-7
Glucostrebloside
CAS 4418-21-7C37H56O15
Strophanthidin + gulomethylose + glucose chemical structure, C35H52O15
Strophanthidin + gulomethylose + glucose
C35H52O15
Acobioside A chemical structure, C36H56O14, CAS 31153-57-8
Acobioside A
CAS 31153-57-8C36H56O14
Acospectoside A chemical structure, C38H58O15, CAS 31451-12-4
Acospectoside A
CAS 31451-12-4C38H58O15
Digitalin chemical structure, C36H56O14, CAS 752-61-4
Digitalin
CAS 752-61-4C36H56O14
(3beta,5beta,11alpha)-3-[(2,6-Dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide chemical structure, C35H54O14, CAS 210637-15-3
(3beta,5beta,11alpha)-3-[(2,6-Dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide
CAS 210637-15-3C35H54O14
Odorobioside G monoacetate chemical structure, C38H58O14, CAS 63869-92-1
Odorobioside G monoacetate
CAS 63869-92-1C38H58O14
Echubioside chemical structure, C36H56O12, CAS 63950-91-4
Echubioside
CAS 63950-91-4C36H56O12
(3beta,5beta,16beta)-3-((6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate chemical structure, C37H56O15, CAS 6022-99-7
(3beta,5beta,16beta)-3-((6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate
CAS 6022-99-7C37H56O15
Digoxin-phosphatidylethanolamine conjugate chemical structure, C82H140N3O25P, CAS 129966-52-5
Digoxin-phosphatidylethanolamine conjugate
CAS 129966-52-5C82H140N3O25P
(3I(2),5I(2),16I(2))-3-[(2,6-Dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide chemical structure, C35H54O13, CAS 663-16-1
(3I(2),5I(2),16I(2))-3-[(2,6-Dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
CAS 663-16-1C35H54O13
Corchorusoside C chemical structure, C35H54O13, CAS 210637-17-5
Corchorusoside C
CAS 210637-17-5C35H54O13
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)- chemical structure, C35H54O14, CAS 210637-18-6
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)-
CAS 210637-18-6C35H54O14
(3I(2),5I(2),11I+/-)-3-[(2,6-Dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide chemical structure, C35H54O13, CAS 210637-16-4
(3I(2),5I(2),11I+/-)-3-[(2,6-Dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide
CAS 210637-16-4C35H54O13
Digitoxigenin bisdigitoxoside chemical structure, C35H54O10, CAS 16479-50-8
Digitoxigenin bisdigitoxoside
CAS 16479-50-8C35H54O10