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Murcko scaffold

Ring system with 8 rings and 43 atoms

10 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
43
Chemicals
10
With full pages
5
Scaffold SMILES

C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCCCC4OC4CC(OC5CCCCO5)CCO4)CCC3C2C1

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=C2C3CCCCC3CCC2C2CCC3CC(OC4OCCCC4OC4CC(OC5CCCCO5)CCO4)CCC3C2C1

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

Sapindoside B chemical structure, C46H74O16, CAS 30994-75-3
Sapindoside B
CAS 30994-75-3C46H74O16
Clematoside S chemical structure, C46H74O16, CAS 72629-76-6
Clematoside S
CAS 72629-76-6C46H74O16
Kalopanaxsaponin H chemical structure, C47H76O17, CAS 128730-82-5
Kalopanaxsaponin H
CAS 128730-82-5C47H76O17
Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside chemical structure, C47H76O16, CAS 103956-33-8
Oleanolic acid 3-O-beta-D-glucosyl-(1->3)-alpha-L-rhamnosyl(1->2)-alpha-L-arabinoside
CAS 103956-33-8C47H76O16
Presapogenin CP4 chemical structure, C46H74O15
Presapogenin CP4
C46H74O15
Presapogenin-CP4 chemical structure, C46H74O15
Presapogenin-CP4
C46H74O15
Rarasaponin IV chemical structure, C52H80O19, CAS 1157918-38-1
Rarasaponin IV
CAS 1157918-38-1C52H80O19
Prosapogenin CP4 chemical structure, C46H74O15, CAS 75799-18-7
Prosapogenin CP4
CAS 75799-18-7C46H74O15
(4aR,6aS,6aR,6bS,8aS,10R,12aS,14bR)-10-[(2R,3S,4R,5R)-3-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid chemical structure, C46H74O15
(4aR,6aS,6aR,6bS,8aS,10R,12aS,14bR)-10-[(2R,3S,4R,5R)-3-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
C46H74O15
(4aS,6aS,6aS,6bR,8aR,10R,12aR,14bS)-10-[(2S,3R,4R,5R)-3-[(2R,3S,4S,5S,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid chemical structure, C46H74O15
(4aS,6aS,6aS,6bR,8aR,10R,12aR,14bS)-10-[(2S,3R,4R,5R)-3-[(2R,3S,4S,5S,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
C46H74O15