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Murcko scaffold

Ring system with 5 rings and 45 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
45
Chemicals
8
With full pages
0
Scaffold SMILES

C=C1C(CC(=O)OCC=C2C(CC(=O)OCCc3ccccc3)C=COC2OC2CCCCO2)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)OCC=C2C(CC(=O)OCCc3ccccc3)C=COC2OC2CCCCO2)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 8 of 8 chemicals

Jasamplexoside A chemical structure, C42H54O24
Jasamplexoside A
C42H54O24
Jasamplexoside C chemical structure, C42H54O25, CAS 147742-02-7
Jasamplexoside C
CAS 147742-02-7C42H54O25
Methyl (5Z)-4-[2-[(2E)-2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate chemical structure, C42H54O25
Methyl (5Z)-4-[2-[(2E)-2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
C42H54O25
Jasamplexoside A chemical structure, C42H54O24, CAS 147764-93-0
Jasamplexoside A
CAS 147764-93-0C42H54O24
Orb1681171 chemical structure, C42H54O24
Orb1681171
C42H54O24
Orb1681173 chemical structure, C42H54O25
Orb1681173
C42H54O25
Methyl (4S,5E,6S)-5-(2-hydroxyethylidene)-4-[2-[2-[(2S,4S)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate chemical structure, C42H54O24
Methyl (4S,5E,6S)-5-(2-hydroxyethylidene)-4-[2-[2-[(2S,4S)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
C42H54O24
Methyl (4S,5Z,6S)-4-[2-[2-[(2S,4S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate chemical structure, C42H54O25
Methyl (4S,5Z,6S)-4-[2-[2-[(2S,4S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
C42H54O25