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Murcko scaffold

Ring system with 2 rings and 26 atoms

22 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
26
Chemicals
22
With full pages
2
Scaffold SMILES

O=C1C=CC=CCCCCC=CC=CCC(CCCC2CCCCO2)O1

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=C1C=CC=CCCCCC=CC=CCC(CCCC2CCCCO2)O1

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 22 of 22 chemicals

Bafilomycin A chemical structure, C35H58O9, CAS 116764-51-3
Bafilomycin A
CAS 116764-51-3C35H58O9
Bafilomycin A1 chemical structure, C35H58O9, CAS 88899-55-2
Bafilomycin A1
CAS 88899-55-2C35H58O9
Bafilomycin C1 chemical structure, C39H60O12, CAS 88979-61-7
Bafilomycin C1
CAS 88979-61-7C39H60O12
Bafilomycin A2 chemical structure, C36H60O9, CAS 88899-54-1
Bafilomycin A2
CAS 88899-54-1C36H60O9
Bafilomycin C2 chemical structure, C40H62O12, CAS 82623-58-3
Bafilomycin C2
CAS 82623-58-3C40H62O12
Bafilomycin C1 amide chemical structure, C39H61NO11, CAS 695189-31-2
Bafilomycin C1 amide
CAS 695189-31-2C39H61NO11
Hygrolidin amide chemical structure, C38H59NO10, CAS 90965-59-6
Hygrolidin amide
CAS 90965-59-6C38H59NO10
(E)-4-[2-Hydroxy-2-[3-hydroxy-4-[(4Z,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5,6-dimethyloxan-4-yl]oxy-4-oxobut-2-enoic acid chemical structure, C37H56O12, CAS 142386-67-2
(E)-4-[2-Hydroxy-2-[3-hydroxy-4-[(4Z,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5,6-dimethyloxan-4-yl]oxy-4-oxobut-2-enoic acid
CAS 142386-67-2C37H56O12
(E)-4-[2-[3-Hydroxy-4-[(4Z,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5,6-dimethyloxan-4-yl]oxy-4-oxobut-2-enoic acid chemical structure, C38H58O12, CAS 142386-69-4
(E)-4-[2-[3-Hydroxy-4-[(4Z,6E,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5,6-dimethyloxan-4-yl]oxy-4-oxobut-2-enoic acid
CAS 142386-69-4C38H58O12
TS 155-2 chemical structure, C39H60O11, CAS 303009-07-6
TS 155-2
CAS 303009-07-6C39H60O11
TS 155-2 chemical structure, C39H60O11
TS 155-2
C39H60O11
4-[2-Hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobutanoic acid chemical structure, C39H62O12, CAS 849808-12-4
4-[2-Hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobutanoic acid
CAS 849808-12-4C39H62O12
TS 155-2 chemical structure, C39H60O11, CAS 1314486-37-7
TS 155-2
CAS 1314486-37-7C39H60O11
Defumarylhygrolidin chemical structure, C34H56O7, CAS 90965-58-5
Defumarylhygrolidin
CAS 90965-58-5C34H56O7
Antibiotic 1166C chemical structure, C38H58O11
Antibiotic 1166C
C38H58O11
Orb1692183 chemical structure, C38H58O11, CAS 83329-73-1
Orb1692183
CAS 83329-73-1C38H58O11
(E)-4-[(2R,4R,5S,6R)-6-Ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,6Z,9S,10S,11R,12Z,14Z)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl]oxy-4-oxobut-2-enoic acid chemical structure, C38H58O11
(E)-4-[(2R,4R,5S,6R)-6-Ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,6Z,9S,10S,11R,12Z,14Z)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl]oxy-4-oxobut-2-enoic acid
C38H58O11
TS 155-2 chemical structure, C39H60O11
TS 155-2
C39H60O11
(2E)-4-{[(2R,4R,5S,6R)-6-Ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl]oxy}-4-oxobut-2-enoic acid chemical structure, C38H58O11
(2E)-4-{[(2R,4R,5S,6R)-6-Ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl]oxy}-4-oxobut-2-enoic acid
C38H58O11
(E)-4-[(2R,4R,5S,6R)-6-Ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl]oxy-4-oxobut-2-enoic acid chemical structure, C38H58O11
(E)-4-[(2R,4R,5S,6R)-6-Ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl]oxy-4-oxobut-2-enoic acid
C38H58O11
4-[(2R)-6-Ethyl-2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyloxan-4-yl]oxy-4-oxobut-2-enoic acid chemical structure, C38H58O11
4-[(2R)-6-Ethyl-2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyloxan-4-yl]oxy-4-oxobut-2-enoic acid
C38H58O11
2-Butenedioic acid (2E)-, mono[(2R,4R,5S,6R)-6-ethyltetrahydro-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methylbutyl]-5-methyl-2H-pyran-4-yl] ester chemical structure, C38H58O11
2-Butenedioic acid (2E)-, mono[(2R,4R,5S,6R)-6-ethyltetrahydro-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methylbutyl]-5-methyl-2H-pyran-4-yl] ester
C38H58O11