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Murcko scaffold

Ring system with 4 rings and 27 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
5
With full pages
2
Scaffold SMILES

C1CCC(OC2COC(OC3CCCOC3)CC2OC2CCCCO2)OC1

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 C1CCC(OC2COC(OC3CCCOC3)CC2OC2CCCCO2)OC1

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 5 of 5 chemicals

N-[(E)-1-[5-[4,5-Bis[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]tetracosanamide chemical structure, C70H129N3O23, CAS 107221-01-2
N-[(E)-1-[5-[4,5-Bis[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
CAS 107221-01-2C70H129N3O23
GM2 lipid chemical structure, C67H121N3O26, CAS 127663-77-8
GM2 lipid
CAS 127663-77-8C67H121N3O26
Lyso-GM2 chemical structure, C49H87N3O25, CAS 94458-61-4
Lyso-GM2
CAS 94458-61-4C49H87N3O25
GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) chemical structure, C73H131N3O26, CAS 3077081-42-3
GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))
CAS 3077081-42-3C73H131N3O26
GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) chemical structure, C67H121N3O27, CAS 3056013-74-9
GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0)
CAS 3056013-74-9C67H121N3O27