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Murcko scaffold

Ring system with 6 rings and 28 atoms

18 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
28
Chemicals
18
With full pages
2
Scaffold SMILES

C=C1C=C2C=C3C=C4C(=O)CC(=C5CCC(=CC6=NC(=CC1=N2)C=C6)N5)C4=N3

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=C2C=C3C=C4C(=O)CC(=C5CCC(=CC6=NC(=CC1=N2)C=C6)N5)C4=N3

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 18 of 18 chemicals

PHAEOPHYTIN, alpha beta chemical structure, C55H72N4O6
PHAEOPHYTIN, alpha beta
C55H72N4O6
RefChem:1066295 chemical structure, C35H34N4O6
RefChem:1066295
C35H34N4O6
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)- chemical structure, C34H32N4O6, CAS 72939-70-9
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-
CAS 72939-70-9C34H32N4O6
Pheophytin b chemical structure, C55H72N4O6, CAS 3147-18-0
Pheophytin b
CAS 3147-18-0C55H72N4O6
(3S-(3alpha,4beta,21beta))-14-Ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionic acid chemical structure, C35H34N4O6, CAS 20239-99-0
(3S-(3alpha,4beta,21beta))-14-Ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionic acid
CAS 20239-99-0C35H34N4O6
Phaeophytin b chemical structure, C55H72N4O6
Phaeophytin b
C55H72N4O6
Pheophorbide b chemical structure, C35H34N4O6
Pheophorbide b
C35H34N4O6
Pheophytin b chemical structure, C55H72N4O6
Pheophytin b
C55H72N4O6
Dimethyl (3S-(3alpha,4beta,21beta))-21-carboxylato-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate chemical structure, C36H36N4O6, CAS 5522-71-4
Dimethyl (3S-(3alpha,4beta,21beta))-21-carboxylato-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate
CAS 5522-71-4C36H36N4O6
(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid chemical structure, C34H32N4O6
(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid
C34H32N4O6
Disodium (3S,4S,21R)-3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxophorbine-21-carboxylate chemical structure, C34H30N4Na2O6
Disodium (3S,4S,21R)-3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxophorbine-21-carboxylate
C34H30N4Na2O6
Dipotassium (3S,4S,21R)-3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxophorbine-21-carboxylate chemical structure, C34H30K2N4O6
Dipotassium (3S,4S,21R)-3-(2-carboxylatoethyl)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxophorbine-21-carboxylate
C34H30K2N4O6
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)- chemical structure, C34H32N4O6
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-
C34H32N4O6
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, disodium salt, (3S,4S,21R)- chemical structure, C34H30N4Na2O6, CAS 72984-34-0
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, disodium salt, (3S,4S,21R)-
CAS 72984-34-0C34H30N4Na2O6
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, dipotassium salt, (3S,4S,21R)- chemical structure, C34H30K2N4O6, CAS 72984-35-1
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, dipotassium salt, (3S,4S,21R)-
CAS 72984-35-1C34H30K2N4O6
Methyl pheophorbide b chemical structure, C36H36N4O6
Methyl pheophorbide b
C36H36N4O6
3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S)- chemical structure, C33H32N4O4, CAS 82040-65-1
3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S)-
CAS 82040-65-1C33H32N4O4
(2E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-en-1-yl 3-[(3S,4S)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxophorbin-3-yl]propanoate chemical structure, C53H70N4O4, CAS 77331-75-0
(2E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-en-1-yl 3-[(3S,4S)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxophorbin-3-yl]propanoate
CAS 77331-75-0C53H70N4O4