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Murcko scaffold

Ring system with 3 rings and 24 atoms

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
4
With full pages
0
Scaffold SMILES

C=C1C(CC(=O)OCC2CCCC2)C=COC1OC1CCCCO1

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 C=C1C(CC(=O)OCC2CCCC2)C=COC1OC1CCCCO1

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 4 of 4 chemicals

9-Hydroxyjasmesoside chemical structure, C27H42O14, CAS 121979-17-7
9-Hydroxyjasmesoside
CAS 121979-17-7C27H42O14
Nudifloside D chemical structure, C27H42O13, CAS 454212-54-5
Nudifloside D
CAS 454212-54-5C27H42O13
Orb3237556 chemical structure, C27H42O13, CAS 454205-02-8
Orb3237556
CAS 454205-02-8C27H42O13
Methyl (2S,4S,E)-3-ethylidene-4-(2-(((1S,2R,3S,5S)-3-hydroxy-5-((S)-1-hydroxypropan-2-yl)-2-methylcyclopentyl)methoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate chemical structure, C27H42O13
Methyl (2S,4S,E)-3-ethylidene-4-(2-(((1S,2R,3S,5S)-3-hydroxy-5-((S)-1-hydroxypropan-2-yl)-2-methylcyclopentyl)methoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate
C27H42O13