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Murcko scaffold

Ring system with 8 rings and 44 atoms

56 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
44
Chemicals
56
With full pages
19
Scaffold SMILES

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)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(OC6CCC(OC7CCCCO7)CO6)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 56 chemicals

Lanicor chemical structure, C41H64O14, CAS 1380169-08-3
Lanicor
CAS 1380169-08-3C41H64O14
16-Isovalerylgitoxin chemical structure, C46H72O15, CAS 26184-94-1
16-Isovalerylgitoxin
CAS 26184-94-1C46H72O15
[3-[4-Acetyloxy-5-(4,5-diacetyloxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-[[16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-4-yl] acetate chemical structure, C51H74O19, CAS 27071-80-3
[3-[4-Acetyloxy-5-(4,5-diacetyloxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-[[16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-4-yl] acetate
CAS 27071-80-3C51H74O19
Gitoformatum chemical structure, C46H64O19, CAS 7685-23-6
Gitoformatum
CAS 7685-23-6C46H64O19
Gitoxin chemical structure, C41H64O14, CAS 4562-36-1
Gitoxin
CAS 4562-36-1C41H64O14
16-(Acetyloxy)-3-((2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide chemical structure, C43H66O15
16-(Acetyloxy)-3-((2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
C43H66O15
3-{[2,6-Dideoxy-3,4-di-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide chemical structure, C43H68O14, CAS 51740-66-0
3-{[2,6-Dideoxy-3,4-di-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
CAS 51740-66-0C43H68O14
12-(Acetyloxy)-3-{[2,6-dideoxy-4-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide chemical structure, C44H68O15, CAS 51740-69-3
12-(Acetyloxy)-3-{[2,6-dideoxy-4-o-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
CAS 51740-69-3C44H68O15
beta-Methyldigitoxin chemical structure, C42H66O13, CAS 55692-91-6
beta-Methyldigitoxin
CAS 55692-91-6C42H66O13
Digitoxin, acetate, beta- chemical structure, C43H66O14, CAS 1264-51-3
Digitoxin, acetate, beta-
CAS 1264-51-3C43H66O14
Card-cosaldon chemical structure, C60H89N5O18, CAS 61216-25-9
Card-cosaldon
CAS 61216-25-9C60H89N5O18
4'''-(2-Ethyldiazomalonyl)digitoxin chemical structure, C46H68N2O16, CAS 74746-51-3
4'''-(2-Ethyldiazomalonyl)digitoxin
CAS 74746-51-3C46H68N2O16
3'''-Diazomalonyldigitoxin chemical structure, C46H68N2O16, CAS 74753-41-6
3'''-Diazomalonyldigitoxin
CAS 74753-41-6C46H68N2O16
3-{[3-O-Acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide chemical structure, C43H66O15, CAS 11021-15-1
3-{[3-O-Acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide
CAS 11021-15-1C43H66O15
Digitoxin, diacetate chemical structure, C45H68O15, CAS 1289-56-1
Digitoxin, diacetate
CAS 1289-56-1C45H68O15
Digitoxin, tetraacetate chemical structure, C49H72O17, CAS 13238-31-8
Digitoxin, tetraacetate
CAS 13238-31-8C49H72O17
Digoxin, pentaformate chemical structure, C46H64O19, CAS 13241-43-5
Digoxin, pentaformate
CAS 13241-43-5C46H64O19
Digitoxin, tetraformate chemical structure, C45H64O17, CAS 14435-27-9
Digitoxin, tetraformate
CAS 14435-27-9C45H64O17
Gitoxin, tetraacetate chemical structure, C49H72O18, CAS 29253-86-9
Gitoxin, tetraacetate
CAS 29253-86-9C49H72O18
Digoxin, teraacetate chemical structure, C49H72O18, CAS 29701-13-1
Digoxin, teraacetate
CAS 29701-13-1C49H72O18
Digoxin, diacetate chemical structure, C45H68O16, CAS 31668-45-8
Digoxin, diacetate
CAS 31668-45-8C45H68O16
Triacetylgitoxin chemical structure, C47H70O17, CAS 20231-89-4
Triacetylgitoxin
CAS 20231-89-4C47H70O17
Gitoxin, 3',3''-diacetate chemical structure, C45H68O16, CAS 20403-61-6
Gitoxin, 3',3''-diacetate
CAS 20403-61-6C45H68O16
Digitoxin chemical structure, C41H64O13, CAS 71-63-6
Digitoxin
CAS 71-63-6C41H64O13