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Murcko scaffold

Ring system with 5 rings and 21 atoms

272 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
272
With full pages
50
Scaffold SMILES

C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

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 C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

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 48 of 272 chemicals

Lup-20(29)-en-28-oic acid, 3beta-hydroxy- chemical structure, C30H48O3
Lup-20(29)-en-28-oic acid, 3beta-hydroxy-
C30H48O3
Hopane chemical structure, C30H52, CAS 471-62-5
Hopane
CAS 471-62-5C30H52
5a,5b,8,8,11a,13b-Hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene chemical structure, C30H52, CAS 13849-96-2
5a,5b,8,8,11a,13b-Hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CAS 13849-96-2C30H52
A'-Neo-30-norgammacerane chemical structure, C29H50, CAS 3258-87-5
A'-Neo-30-norgammacerane
CAS 3258-87-5C29H50
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-Butan-2-yl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene chemical structure, C31H54, CAS 53584-62-6
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-Butan-2-yl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CAS 53584-62-6C31H54
20,29,30-Trinorlupane, (17alpha)- chemical structure, C27H46, CAS 55199-72-9
20,29,30-Trinorlupane, (17alpha)-
CAS 55199-72-9C27H46
3-sec-Butyl-5a,5b,8,8,11a,13b-hexamethyl-eicosahydro-cyclopenta[a]chrysene chemical structure, C31H54, CAS 60305-22-8
3-sec-Butyl-5a,5b,8,8,11a,13b-hexamethyl-eicosahydro-cyclopenta[a]chrysene
CAS 60305-22-8C31H54
A'-Neo-28,30-dinorgammacerane, (17alpha)- chemical structure, C28H48, CAS 65636-26-2
A'-Neo-28,30-dinorgammacerane, (17alpha)-
CAS 65636-26-2C28H48
A'-Neo-30-norgammacerane, 22-propyl-, (17alpha,22S)- chemical structure, C32H56, CAS 67069-15-2
A'-Neo-30-norgammacerane, 22-propyl-, (17alpha,22S)-
CAS 67069-15-2C32H56
A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)- chemical structure, C33H58, CAS 67069-16-3
A'-Neo-30-norgammacerane, 22-butyl-, (17alpha,22R)-
CAS 67069-16-3C33H58
Betulinic acid chemical structure, C30H48O3, CAS 472-15-1
Betulinic acid
CAS 472-15-1C30H48O3
Platanic acid chemical structure, C29H46O4, CAS 6060-06-6
Platanic acid
CAS 6060-06-6C29H46O4
Dihydrobetulinic acid chemical structure, C30H50O3, CAS 25488-53-3
Dihydrobetulinic acid
CAS 25488-53-3C30H50O3
Betulin chemical structure, C30H50O2, CAS 473-98-3
Betulin
CAS 473-98-3C30H50O2
Rpr 103611 chemical structure, C46H78N2O6, CAS 150840-75-8
Rpr 103611
CAS 150840-75-8C46H78N2O6
Methyl betulinate chemical structure, C31H50O3, CAS 2259-06-5
Methyl betulinate
CAS 2259-06-5C31H50O3
Diploptene chemical structure, C30H50, CAS 1615-91-4
Diploptene
CAS 1615-91-4C30H50
Lupeol acetate chemical structure, C32H52O2, CAS 1617-68-1
Lupeol acetate
CAS 1617-68-1C32H52O2
Betulinaldehyde chemical structure, C30H48O2, CAS 13159-28-9
Betulinaldehyde
CAS 13159-28-9C30H48O2
Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate chemical structure, C30H48O4, CAS 4356-32-5
Methyl 3beta-hydroxy-20-oxo-30-norlupan-28-oate
CAS 4356-32-5C30H48O4
(3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-Hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene chemical structure, C30H52, CAS 33281-23-1
(3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-Hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CAS 33281-23-1C30H52
35-Aminobacteriohopane-30,31,32,33,34-pentol chemical structure, C35H63NO5, CAS 99541-79-4
35-Aminobacteriohopane-30,31,32,33,34-pentol
CAS 99541-79-4C35H63NO5
1-Amino-1,7,8-trideoxy-7-((3beta)-3-methyl-A'-neo-22,29,30-trinorgammaceran-21-yl)-D-erythro-D-allo-octitol chemical structure, C36H65NO5, CAS 99541-80-7
1-Amino-1,7,8-trideoxy-7-((3beta)-3-methyl-A'-neo-22,29,30-trinorgammaceran-21-yl)-D-erythro-D-allo-octitol
CAS 99541-80-7C36H65NO5
Cynanester A chemical structure, C36H60O2, CAS 143502-52-7
Cynanester A
CAS 143502-52-7C36H60O2