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Murcko scaffold

Ring system with 6 rings and 25 atoms

13 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
25
Chemicals
13
With full pages
5
Scaffold SMILES

C1CCC2(CC3C(CC4C3CCC3C5CCCCC5CCC34)O2)NC1

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 C1CCC2(CC3C(CC4C3CCC3C5CCCCC5CCC34)O2)NC1

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

Tomatidine chemical structure, C27H45NO2, CAS 77-59-8
Tomatidine
CAS 77-59-8C27H45NO2
Soladulcidine chemical structure, C27H45NO2, CAS 511-98-8
Soladulcidine
CAS 511-98-8C27H45NO2
Spirosolan-3-ol chemical structure, C27H45NO2, CAS 79464-64-5
Spirosolan-3-ol
CAS 79464-64-5C27H45NO2
5,6-Dihydrosolasodine 3-acetate chemical structure, C29H47NO3, CAS 66934-60-9
5,6-Dihydrosolasodine 3-acetate
CAS 66934-60-9C29H47NO3
Soladunalidine chemical structure, C27H46N2O, CAS 66934-59-6
Soladunalidine
CAS 66934-59-6C27H46N2O
Spirosolane chemical structure, C27H45NO, CAS 34471-97-1
Spirosolane
CAS 34471-97-1C27H45NO
[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-1'-Acetyl-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl] propanoate chemical structure, C32H51NO4, CAS 1029693-31-9
[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-1'-Acetyl-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl] propanoate
CAS 1029693-31-9C32H51NO4
[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-1'-Acetyl-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl] acetate chemical structure, C31H49NO4, CAS 1181-86-8
[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-1'-Acetyl-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl] acetate
CAS 1181-86-8C31H49NO4
Tomatidine.HCl chemical structure, C27H46ClNO2, CAS 1258063-64-7
Tomatidine.HCl
CAS 1258063-64-7C27H46ClNO2
Tomatidine hydrochloride chemical structure, C27H46ClNO2, CAS 6192-62-7
Tomatidine hydrochloride
CAS 6192-62-7C27H46ClNO2
Esculeogenin A chemical structure, C27H45NO4, CAS 854381-37-6
Esculeogenin A
CAS 854381-37-6C27H45NO4
Spirosolane-3,23-diol, 23-acetate, (3beta,5alpha,22alpha,23S,25R)- chemical structure, C29H47NO4
Spirosolane-3,23-diol, 23-acetate, (3beta,5alpha,22alpha,23S,25R)-
C29H47NO4
(23S,25R)-3beta-Hydroxy-5alpha,22alpha-spirosolan-23-yl acetate chemical structure, C29H47NO4, CAS 152128-85-3
(23S,25R)-3beta-Hydroxy-5alpha,22alpha-spirosolan-23-yl acetate
CAS 152128-85-3C29H47NO4