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Murcko scaffold

Ring system with 8 rings and 50 atoms

6 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
50
Chemicals
6
With full pages
1
Scaffold SMILES

C1=C2CC(OC3CCCC(COC4CCCCO4)O3)CCC2C2CCC3C(CCCCOC4OCCCC4OC4CCCCO4)CCC3C2C1

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 C1=C2CC(OC3CCCC(COC4CCCCO4)O3)CCC2C2CCC3C(CCCCOC4OCCCC4OC4CCCCO4)CCC3C2C1

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 6 of 6 chemicals

Mogroside IV chemical structure, C54H92O24, CAS 89590-95-4
Mogroside IV
CAS 89590-95-4C54H92O24
Mogroside IV E chemical structure, C54H92O24, CAS 88915-64-4
Mogroside IV E
CAS 88915-64-4C54H92O24
Mogroside IV-E chemical structure, C54H92O24
Mogroside IV-E
C54H92O24
Mogroside iv usp/ep/bp chemical structure, C54H92O24
Mogroside iv usp/ep/bp
C54H92O24
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C54H92O24
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C54H92O24
Mogroside IVe chemical structure, C54H92O24
Mogroside IVe
C54H92O24