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Murcko scaffold

Ring system with 4 rings and 43 atoms

19 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
43
Chemicals
19
With full pages
2
Scaffold SMILES

O=C1OCCC=CC=CC(OC2CCCCO2)CC=CCCC=CC=C1COC1CCC(OC(=O)c2ccccc2)CO1

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=C1OCCC=CC=CC(OC2CCCCO2)CC=CCCC=CC=C1COC1CCC(OC(=O)c2ccccc2)CO1

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 19 of 19 chemicals

Clostomicin A chemical structure, C52H74Cl2O18, CAS 106008-69-9
Clostomicin A
CAS 106008-69-9C52H74Cl2O18
Tiacumicin C chemical structure, C52H74Cl2O18, CAS 106008-70-2
Tiacumicin C
CAS 106008-70-2C52H74Cl2O18
Fidaxomicin chemical structure, C52H74Cl2O18, CAS 873857-62-6
Fidaxomicin
CAS 873857-62-6C52H74Cl2O18
Fidaxomicin metabolite OP-1118 chemical structure, C48H68Cl2O17, CAS 2413667-52-2
Fidaxomicin metabolite OP-1118
CAS 2413667-52-2C48H68Cl2O17
Lipiarmycin A-4 chemical structure, C51H72Cl2O18, CAS 112396-61-9
Lipiarmycin A-4
CAS 112396-61-9C51H72Cl2O18
Di-Methylated fidaxomicin chemical structure, C54H78Cl2O18, CAS 185248-68-4
Di-Methylated fidaxomicin
CAS 185248-68-4C54H78Cl2O18
OP-1118 chemical structure, C48H68Cl2O17, CAS 1030825-28-5
OP-1118
CAS 1030825-28-5C48H68Cl2O17
Lipiarmycin B4 chemical structure, C51H72Cl2O18, CAS 115178-44-4
Lipiarmycin B4
CAS 115178-44-4C51H72Cl2O18
Fidaxomicin impurity 5 chemical structure, C52H74Cl2O18
Fidaxomicin impurity 5
C52H74Cl2O18
Fidaxomicin-d7 chemical structure, C52H74Cl2O18, CAS 2143934-06-7
Fidaxomicin-d7
CAS 2143934-06-7C52H74Cl2O18
Fidaxomicin-d7 chemical structure, C52H74Cl2O18
Fidaxomicin-d7
C52H74Cl2O18
Clostomycin B2 chemical structure, C52H74Cl2O18
Clostomycin B2
C52H74Cl2O18
[(2S,3R,4R,5R,6S)-6-[[(8S,11S,12R,18S)-11-Ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-12-[(2R,3S,4S,5S)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate chemical structure, C48H68Cl2O17
[(2S,3R,4R,5R,6S)-6-[[(8S,11S,12R,18S)-11-Ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-12-[(2R,3S,4S,5S)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
C48H68Cl2O17
Di-Methylated fidaxomicin chemical structure, C54H78Cl2O18
Di-Methylated fidaxomicin
C54H78Cl2O18
Mono-methylated fidaxomicin chemical structure, C53H76Cl2O18, CAS 2987177-46-6
Mono-methylated fidaxomicin
CAS 2987177-46-6C53H76Cl2O18
Fidaxomicin-d7 chemical structure, C52H74Cl2O18
Fidaxomicin-d7
C52H74Cl2O18
Fidaxomicin-d7 chemical structure, C52H74Cl2O18
Fidaxomicin-d7
C52H74Cl2O18
(2R,3R,4S,5S,6R)-6-(((3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-(((2R,3S,4R,5S)-3,4-Dihydroxy-5-(isobutyryloxy)-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-11-ethyl-8-hydroxy-18-((R)-1-hydroxyethyl)-9,13,15-trimethyl-2-oxooxacyclooctadeca-3,5,9,13,15-pentaen-3-yl chemical structure, C54H78Cl2O18
(2R,3R,4S,5S,6R)-6-(((3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-(((2R,3S,4R,5S)-3,4-Dihydroxy-5-(isobutyryloxy)-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-11-ethyl-8-hydroxy-18-((R)-1-hydroxyethyl)-9,13,15-trimethyl-2-oxooxacyclooctadeca-3,5,9,13,15-pentaen-3-yl
C54H78Cl2O18
Fidaxomicin impurity N1 chemical structure, C52H74Cl2O18
Fidaxomicin impurity N1
C52H74Cl2O18