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Murcko scaffold

Ring system with 3 rings and 19 atoms

17 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
17
With full pages
4
Scaffold SMILES

O=C(c1ccccc1)C1CC2(OC=CC2=O)C(=O)N1

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=C(c1ccccc1)C1CC2(OC=CC2=O)C(=O)N1

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 17 of 17 chemicals

12.13-Dibromopseurotin chemical structure, C22H25Br2NO8, CAS 58546-67-1
12.13-Dibromopseurotin
CAS 58546-67-1C22H25Br2NO8
8-Benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione chemical structure, C22H25NO8
8-Benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8
8-Benzoyl-2-[(E)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione chemical structure, C22H25NO8
8-Benzoyl-2-[(E)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8
(8S,9R)-8-Benzoyl-2-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione chemical structure, C22H25NO8
(8S,9R)-8-Benzoyl-2-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8
Pseurotin A chemical structure, C22H25NO8, CAS 58523-30-1
Pseurotin A
CAS 58523-30-1C22H25NO8
(5S,8S,9R)-8-Benzoyl-2-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione chemical structure, C22H25NO8
(5S,8S,9R)-8-Benzoyl-2-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8
Pseurotin E chemical structure, C22H23NO9, CAS 77409-69-9
Pseurotin E
CAS 77409-69-9C22H23NO9
11-O-Methylpseurotin A chemical structure, C23H27NO8, CAS 956904-34-0
11-O-Methylpseurotin A
CAS 956904-34-0C23H27NO8
14-Norpseurotin A chemical structure, C21H23NO8, CAS 1031727-34-0
14-Norpseurotin A
CAS 1031727-34-0C21H23NO8
Triacetylpseurotin A chemical structure, C28H31NO11, CAS 77353-57-2
Triacetylpseurotin A
CAS 77353-57-2C28H31NO11
Pseurotin A2 chemical structure, C22H25NO8, CAS 1275589-07-5
Pseurotin A2
CAS 1275589-07-5C22H25NO8
[8-Benzoyl-2-(1,2-diacetyloxyhex-3-enyl)-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-9-yl] acetate chemical structure, C28H31NO11
[8-Benzoyl-2-(1,2-diacetyloxyhex-3-enyl)-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-9-yl] acetate
C28H31NO11
(5S,8S)-8-Benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione chemical structure, C22H25NO8
(5S,8S)-8-Benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8
(5S,8S,9R)-8-Benzoyl-2-[(1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione chemical structure, C22H25NO8
(5S,8S,9R)-8-Benzoyl-2-[(1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
C22H25NO8
Pseurotin D chemical structure, C22H25NO8, CAS 77409-68-8
Pseurotin D
CAS 77409-68-8C22H25NO8
[(5R,8R,9S)-8-Benzoyl-2-[(Z,1R,2R)-1,2-diacetyloxyhex-3-enyl]-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-9-yl] acetate chemical structure, C28H31NO11
[(5R,8R,9S)-8-Benzoyl-2-[(Z,1R,2R)-1,2-diacetyloxyhex-3-enyl]-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-9-yl] acetate
C28H31NO11
[8-Benzoyl-2-[(E)-1,2-diacetyloxyhex-3-enyl]-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-9-yl] acetate chemical structure, C28H31NO11
[8-Benzoyl-2-[(E)-1,2-diacetyloxyhex-3-enyl]-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-9-yl] acetate
C28H31NO11