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Murcko scaffold

Ring system with 3 rings and 16 atoms

20 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
20
With full pages
2
Scaffold SMILES

C=C1CCC2C(=C)C(=O)OC2C2CCCC12

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=C1CCC2C(=C)C(=O)OC2C2CCCC12

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 20 of 20 chemicals

Chlorohyssopifolin A chemical structure, C19H24Cl2O7
Chlorohyssopifolin A
C19H24Cl2O7
Michefucscalide chemical structure, C17H22O5, CAS 82461-08-3
Michefucscalide
CAS 82461-08-3C17H22O5
Chlorohyssopifolin E chemical structure, C19H25ClO8, CAS 54278-80-7
Chlorohyssopifolin E
CAS 54278-80-7C19H25ClO8
Chlorohyssopifolin B chemical structure, C15H19ClO5, CAS 38290-03-8
Chlorohyssopifolin B
CAS 38290-03-8C15H19ClO5
Chlorohyssopifolin D chemical structure, C21H29ClO8, CAS 54278-79-4
Chlorohyssopifolin D
CAS 54278-79-4C21H29ClO8
Vestenolide chemical structure, C15H20O4, CAS 97108-36-6
Vestenolide
CAS 97108-36-6C15H20O4
Linichlorin A chemical structure, C19H23ClO6, CAS 62462-98-0
Linichlorin A
CAS 62462-98-0C19H23ClO6
Chlorojanerin chemical structure, C19H23ClO7, CAS 64205-85-2
Chlorojanerin
CAS 64205-85-2C19H23ClO7
Chlororepdiolide chemical structure, C19H23ClO7, CAS 106566-98-7
Chlororepdiolide
CAS 106566-98-7C19H23ClO7
15-Deschloro-15-hydroxychlorojanerin chemical structure, C19H24O8, CAS 115334-00-4
15-Deschloro-15-hydroxychlorojanerin
CAS 115334-00-4C19H24O8
[9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate chemical structure, C19H24Cl2O7, CAS 37006-36-3
[9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate
CAS 37006-36-3C19H24Cl2O7
[8-Acetyloxy-9-hydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate chemical structure, C21H27ClO9, CAS 66761-10-2
[8-Acetyloxy-9-hydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate
CAS 66761-10-2C21H27ClO9
[(3aR,4S,6aR,8R,9S,9aS,9bS)-9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate chemical structure, C19H24Cl2O7
[(3aR,4S,6aR,8R,9S,9aS,9bS)-9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate
C19H24Cl2O7
Cebellin D chemical structure, C20H25ClO7, CAS 106759-33-5
Cebellin D
CAS 106759-33-5C20H25ClO7
[(3aS,5S,6aR,8S,9R,9aR,9bR)-8-Acetyloxy-5-hydroxy-3,6-dimethylidene-2-oxo-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl acetate chemical structure, C19H24O7, CAS 791856-22-9
[(3aS,5S,6aR,8S,9R,9aR,9bR)-8-Acetyloxy-5-hydroxy-3,6-dimethylidene-2-oxo-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl acetate
CAS 791856-22-9C19H24O7
[(3aS,5S,6aR,8S,9R,9aR,9bR)-8-Acetyloxy-5-hydroxy-3,6-dimethylidene-2-oxo-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 3-methylbutanoate chemical structure, C22H30O7, CAS 791856-23-0
[(3aS,5S,6aR,8S,9R,9aR,9bR)-8-Acetyloxy-5-hydroxy-3,6-dimethylidene-2-oxo-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl 3-methylbutanoate
CAS 791856-23-0C22H30O7
Centaurepensin chemical structure, C19H24Cl2O7
Centaurepensin
C19H24Cl2O7
Gnaphaloide chemical structure, C19H24O7, CAS 101409-57-8
Gnaphaloide
CAS 101409-57-8C19H24O7
Centaurepensin chemical structure, C19H24Cl2O7, CAS 60134-08-9
Centaurepensin
CAS 60134-08-9C19H24Cl2O7
Cebellin J chemical structure, C19H25ClO8, CAS 126720-75-0
Cebellin J
CAS 126720-75-0C19H25ClO8