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Murcko scaffold

Ring system with 9 rings and 46 atoms

10 chemicals on CompoundList share this ring system.

Rings
9
Scaffold atoms
46
Chemicals
10
With full pages
1
Scaffold SMILES

C1=C2CC(OC3OCCC(OC4CCCCO4)C3OC3CCCCO3)CCC2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1

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(OC3OCCC(OC4CCCCO4)C3OC3CCCCO3)CCC2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1

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 10 of 10 chemicals

Gracillin chemical structure, C45H72O17, CAS 19083-00-2
Gracillin
CAS 19083-00-2C45H72O17
Melongoside H chemical structure, C45H72O17, CAS 89203-43-0
Melongoside H
CAS 89203-43-0C45H72O17
Liriope muscari baily saponins C chemical structure, C44H70O16, CAS 87480-46-4
Liriope muscari baily saponins C
CAS 87480-46-4C44H70O16
Diosbulbiside B chemical structure, C45H72O18, CAS 1193603-17-6
Diosbulbiside B
CAS 1193603-17-6C45H72O18
17-Hydroxygracillin chemical structure, C45H72O18, CAS 90308-85-3
17-Hydroxygracillin
CAS 90308-85-3C45H72O18
Cixiophiopogon A chemical structure, C44H70O18, CAS 288143-27-1
Cixiophiopogon A
CAS 288143-27-1C44H70O18
Fistuloside B chemical structure, C45H72O18, CAS 142287-77-2
Fistuloside B
CAS 142287-77-2C45H72O18
Ophiopojaponin A chemical structure, C46H72O18, CAS 313054-32-9
Ophiopojaponin A
CAS 313054-32-9C46H72O18
Taccaoside E chemical structure, C47H74O17, CAS 1858199-00-4
Taccaoside E
CAS 1858199-00-4C47H74O17
[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl] acetate chemical structure, C46H72O18
[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl] acetate
C46H72O18