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Murcko scaffold

Ring system with 9 rings and 52 atoms

12 chemicals on CompoundList share this ring system.

Rings
9
Scaffold atoms
52
Chemicals
12
With full pages
5
Scaffold SMILES

C1=C2CC(OC3OCCC(OC4CCCCO4)C3OC3CCCCO3)CCC2C2CCC3C4CC(CCCCOC5CCCCO5)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)CCC2C2CCC3C4CC(CCCCOC5CCCCO5)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 12 of 12 chemicals

Methylprotogracillin chemical structure, C52H86O23
Methylprotogracillin
C52H86O23
Protogracillin chemical structure, C51H84O23, CAS 54848-30-5
Protogracillin
CAS 54848-30-5C51H84O23
Kikubasaponin chemical structure, C52H86O23
Kikubasaponin
C52H86O23
Methyl protogracillin chemical structure, C52H86O23, CAS 54522-53-1
Methyl protogracillin
CAS 54522-53-1C52H86O23
Orb2695079 chemical structure, C52H86O22, CAS 98569-68-7
Orb2695079
CAS 98569-68-7C52H86O22
Protoneogracillin chemical structure, C51H84O23, CAS 191334-50-6
Protoneogracillin
CAS 191334-50-6C51H84O23
Indioside D chemical structure, C51H84O23, CAS 185332-91-6
Indioside D
CAS 185332-91-6C51H84O23
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol chemical structure, C52H86O23
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
C52H86O23
Trigofoenoside D-1 chemical structure, C52H86O23, CAS 99664-41-2
Trigofoenoside D-1
CAS 99664-41-2C52H86O23
(3I(2),25S)-26-(I(2)-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I(2)-D-glucopyranoside chemical structure, C51H84O23, CAS 99664-39-8
(3I(2),25S)-26-(I(2)-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I(2)-D-glucopyranoside
CAS 99664-39-8C51H84O23
(2S,3R,4R,5R,6S)-2-[(2R,4S,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013 chemical structure, C52H86O23
(2S,3R,4R,5R,6S)-2-[(2R,4S,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013
C52H86O23
(2S,3R,4R,5R,6S)-2-{[(2R,4S,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0(2),.0,. chemical structure, C52H86O23
(2S,3R,4R,5R,6S)-2-{[(2R,4S,5R,6R)-5-Hydroxy-6-(hydroxymethyl)-2-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0(2),.0,.
C52H86O23