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Murcko scaffold

Ring system with 4 rings and 34 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
34
Chemicals
12
With full pages
1
Scaffold SMILES

O=C1C=CC2OC2C(COC2CCCCO2)COC(=O)C=CCC(OC2CCCCO2)CCC1

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=CC2OC2C(COC2CCCCO2)COC(=O)C=CCC(OC2CCCCO2)CCC1

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 12 of 12 chemicals

Neutramycin chemical structure, C34H54O14, CAS 1404-08-6
Neutramycin
CAS 1404-08-6C34H54O14
Antibiotic A 11725 I chemical structure, C37H61NO12
Antibiotic A 11725 I
C37H61NO12
Mirosamicin chemical structure, C37H61NO13, CAS 73684-69-2
Mirosamicin
CAS 73684-69-2C37H61NO13
Mycinamicin I chemical structure, C37H61NO12, CAS 73665-15-3
Mycinamicin I
CAS 73665-15-3C37H61NO12
Antibiotic A 11725 I chemical structure, C37H61NO12
Antibiotic A 11725 I
C37H61NO12
Chalcomycin chemical structure, C35H56O14, CAS 20283-48-1
Chalcomycin
CAS 20283-48-1C35H56O14
(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione chemical structure, C37H61NO12
(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
C37H61NO12
Chalcomycin B chemical structure, C41H64O16, CAS 485810-82-0
Chalcomycin B
CAS 485810-82-0C41H64O16
(1S,2R,6E,8S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione chemical structure, C37H61NO12
(1S,2R,6E,8S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
C37H61NO12
Antibiotic A 11725 I chemical structure, C37H61NO12
Antibiotic A 11725 I
C37H61NO12
(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione chemical structure, C37H61NO12
(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
C37H61NO12
Orb1699879 chemical structure, C37H61NO12
Orb1699879
C37H61NO12