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Murcko scaffold

Ring system with 6 rings and 20 atoms

13 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
20
Chemicals
13
With full pages
1
Scaffold SMILES

C=C1CC23CC1CCC2C12CCCC4CNC1C3CC42

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=C1CC23CC1CCC2C12CCCC4CNC1C3CC42

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 13 of 13 chemicals

12-Epinapelline chemical structure, C22H33NO3, CAS 110064-71-6
12-Epinapelline
CAS 110064-71-6C22H33NO3
Napelline chemical structure, C22H33NO3, CAS 5008-52-6
Napelline
CAS 5008-52-6C22H33NO3
12-Acetyllucidusculine chemical structure, C26H37NO5, CAS 110064-69-2
12-Acetyllucidusculine
CAS 110064-69-2C26H37NO5
Napelline hydrochloride chemical structure, C22H34ClNO3, CAS 6197-47-3
Napelline hydrochloride
CAS 6197-47-3C22H34ClNO3
(1R,2R,4R,5R,7R,8R,10R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol chemical structure, C22H33NO3
(1R,2R,4R,5R,7R,8R,10R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
C22H33NO3
(1R,2R,4R,5S,7R,8R,10R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol chemical structure, C22H33NO3
(1R,2R,4R,5S,7R,8R,10R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
C22H33NO3
Lucidusculine chemical structure, C24H35NO4, CAS 5008-49-1
Lucidusculine
CAS 5008-49-1C24H35NO4
Orb1302300 chemical structure, C22H33NO3, CAS 1231206-75-9
Orb1302300
CAS 1231206-75-9C22H33NO3
(1R,2R,4R,5R,7R,8R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol chemical structure, C22H33NO3
(1R,2R,4R,5R,7R,8R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
C22H33NO3
(1S,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol chemical structure, C22H33NO3
(1S,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
C22H33NO3
(1R,2R,4R,7R,8R,9R,13R,16S,17S)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol chemical structure, C22H33NO3
(1R,2R,4R,7R,8R,9R,13R,16S,17S)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
C22H33NO3
(1S,2S,4S,5S,7S,8S,10S,13S,16R,17S)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol chemical structure, C22H33NO3
(1S,2S,4S,5S,7S,8S,10S,13S,16R,17S)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
C22H33NO3
(1S,2R,4R,5R,7R,8R,16S)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol chemical structure, C22H33NO3
(1S,2R,4R,5R,7R,8R,16S)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
C22H33NO3