CompoundList
Sign in
Murcko scaffold

Ring system with 8 rings and 45 atoms

5 chemicals on CompoundList share this ring system.

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

O=C(OC1OCCCC1OC1CCC(OC2CCCCO2)CO1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2

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(OC1OCCCC1OC1CCC(OC2CCCCO2)CO1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2

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

Orb1680221 chemical structure, C47H74O19, CAS 882664-72-4
Orb1680221
CAS 882664-72-4C47H74O19
8a-[3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid chemical structure, C47H74O19
8a-[3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
C47H74O19
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid chemical structure, C47H74O19
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
C47H74O19
28-(O-I(2)-D-Xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl) (2I(2),3I(2),4I+/-)-2,3-dihydroxyolean-12-ene-23,28-dioate chemical structure, C46H72O18, CAS 129570-95-2
28-(O-I(2)-D-Xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl) (2I(2),3I(2),4I+/-)-2,3-dihydroxyolean-12-ene-23,28-dioate
CAS 129570-95-2C46H72O18
Orb2803531 chemical structure, C59H95NO20, CAS 2095876-40-5
Orb2803531
CAS 2095876-40-5C59H95NO20