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Murcko scaffold

Ring system with 9 rings and 24 atoms

17 chemicals on CompoundList share this ring system.

Rings
9
Scaffold atoms
24
Chemicals
17
With full pages
0
Scaffold SMILES

C=C1CC23CCC1CC2C12CCCC4C5OCCN5C1OC3CC42

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=C1CC23CCC1CC2C12CCCC4C5OCCN5C1OC3CC42

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

Spiramine A chemical structure, C24H33NO4, CAS 114531-28-1
Spiramine A
CAS 114531-28-1C24H33NO4
Spiramine B chemical structure, C24H33NO4
Spiramine B
C24H33NO4
(12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl) acetate chemical structure, C24H33NO4
(12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl) acetate
C24H33NO4
12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-ol chemical structure, C22H31NO3, CAS 21040-66-4
12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-ol
CAS 21040-66-4C22H31NO3
[(1R,2R,3S,5S,7R,8R,12R,13S,18R,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate chemical structure, C24H33NO4
[(1R,2R,3S,5S,7R,8R,12R,13S,18R,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
C24H33NO4
Spiradine F chemical structure, C24H33NO4, CAS 21040-64-2
Spiradine F
CAS 21040-64-2C24H33NO4
[(1R,2R,3S,5S,7R,8R,12R,13S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate chemical structure, C24H33NO4
[(1R,2R,3S,5S,7R,8R,12R,13S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
C24H33NO4
[(1S,2R,5S,7R,8R,12S,13S,18R,20S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate chemical structure, C24H33NO4
[(1S,2R,5S,7R,8R,12S,13S,18R,20S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
C24H33NO4
[(1R,2R,3S,5S,7R,8R,13S,18S,21S)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate chemical structure, C24H33NO4
[(1R,2R,3S,5S,7R,8R,13S,18S,21S)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
C24H33NO4
Spiramine C acetate (ester) chemical structure, C24H33NO4
Spiramine C acetate (ester)
C24H33NO4
O-Acetylspiradine G chemical structure, C24H33NO4
O-Acetylspiradine G
C24H33NO4
[(1R,2R,3S,5S,7R,8R,12R,13S,18S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate chemical structure, C24H33NO4
[(1R,2R,3S,5S,7R,8R,12R,13S,18S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
C24H33NO4
Spiramine A chemical structure, C24H33NO4
Spiramine A
C24H33NO4
[(1S,2R,5S,7R,8R,13S,18R,20S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate chemical structure, C24H33NO4
[(1S,2R,5S,7R,8R,13S,18R,20S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
C24H33NO4
[(2R,3S,5S,7R,8R,12R,13S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate chemical structure, C24H33NO4
[(2R,3S,5S,7R,8R,12R,13S,21R)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
C24H33NO4
[(1S,2R,5S,7R,8R,12R,13S,20S)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate chemical structure, C24H33NO4
[(1S,2R,5S,7R,8R,12R,13S,20S)-12-Methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
C24H33NO4
6beta-Acetoxy-15,23-dideoxy-19,23-epoxyajaconine chemical structure, C24H33NO4
6beta-Acetoxy-15,23-dideoxy-19,23-epoxyajaconine
C24H33NO4