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Murcko scaffold

Ring system with 3 rings and 26 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
26
Chemicals
8
With full pages
0
Scaffold SMILES

O=C(C=Cc1ccccc1)OCC=C1CC=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 O=C(C=Cc1ccccc1)OCC=C1CC=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 8 of 8 chemicals

Npc246168 chemical structure, C26H30O13, CAS 82451-18-1
Npc246168
CAS 82451-18-1C26H30O13
Jaslanceoside B chemical structure, C26H30O14
Jaslanceoside B
C26H30O14
Methyl (2S,3E,4S)-2-(beta-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-(((2Z)-3-phenyl-2-propenoyl)oxy)ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate chemical structure, C27H32O13, CAS 229467-41-8
Methyl (2S,3E,4S)-2-(beta-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-(((2Z)-3-phenyl-2-propenoyl)oxy)ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate
CAS 229467-41-8C27H32O13
4-(2-Methoxy-2-oxoethyl)-5-[2-(3-phenylprop-2-enoyloxy)ethylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid chemical structure, C26H30O13
4-(2-Methoxy-2-oxoethyl)-5-[2-(3-phenylprop-2-enoyloxy)ethylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
C26H30O13
Jaslanceoside B chemical structure, C26H30O14, CAS 188300-82-5
Jaslanceoside B
CAS 188300-82-5C26H30O14
Jasminoside chemical structure, C26H30O13
Jasminoside
C26H30O13
Jaslanceoside B chemical structure, C26H30O14
Jaslanceoside B
C26H30O14
(5Z)-4-(2-Methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid chemical structure, C26H30O13
(5Z)-4-(2-Methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
C26H30O13