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Murcko scaffold

Ring system with 5 rings and 28 atoms

14 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
14
With full pages
3
Scaffold SMILES

O=C(C=Cc1ccccc1)OC1CCC2C(=CCC3C4CCCC4CCC23)C1

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 O=C(C=Cc1ccccc1)OC1CCC2C(=CCC3C4CCCC4CCC23)C1

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 14 of 14 chemicals

Cholesteryl cinnamate chemical structure, C36H52O2
Cholesteryl cinnamate
C36H52O2
14-(1,5-Dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl (2E)-3-phenylprop-2-enoate chemical structure, C36H52O2, CAS 50305-81-2
14-(1,5-Dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl (2E)-3-phenylprop-2-enoate
CAS 50305-81-2C36H52O2
2,15-Dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (2E)-3-[4-(dimethylamino)phenyl]prop-2-enoate chemical structure, C38H57NO2, CAS 1092776-23-2
2,15-Dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (2E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CAS 1092776-23-2C38H57NO2
Cholest-5-en-3-beta-yl cinnamate chemical structure, C36H52O2, CAS 1990-11-0
Cholest-5-en-3-beta-yl cinnamate
CAS 1990-11-0C36H52O2
Cholesteryl-2-coumarate chemical structure, C36H52O3, CAS 99910-85-7
Cholesteryl-2-coumarate
CAS 99910-85-7C36H52O3
beta-Sitosteryl ferulate chemical structure, C39H58O4, CAS 286011-30-1
beta-Sitosteryl ferulate
CAS 286011-30-1C39H58O4
[(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate chemical structure, C36H52O2
[(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate
C36H52O2
Stigmasteryl ferulate chemical structure, C39H56O4, CAS 20972-08-1
Stigmasteryl ferulate
CAS 20972-08-1C39H56O4
Campesteryl ferulate chemical structure, C38H56O4, CAS 20972-07-0
Campesteryl ferulate
CAS 20972-07-0C38H56O4
[(10R,13R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylprop-2-enoate chemical structure, C36H52O2
[(10R,13R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylprop-2-enoate
C36H52O2
Cholesteryl trans-cinnamate chemical structure, C36H52O2
Cholesteryl trans-cinnamate
C36H52O2
(3beta)-Cholest-5-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate chemical structure, C37H54O4, CAS 164453-91-2
(3beta)-Cholest-5-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
CAS 164453-91-2C37H54O4
(24R)-Ergost-5-en-3beta-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate chemical structure, C37H54O4, CAS 75873-74-4
(24R)-Ergost-5-en-3beta-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS 75873-74-4C37H54O4
(24R)-Ergost-5-en-3beta-yl 3-(4-hydroxyphenyl)prop-2-enoate chemical structure, C37H54O3, CAS 156297-95-9
(24R)-Ergost-5-en-3beta-yl 3-(4-hydroxyphenyl)prop-2-enoate
CAS 156297-95-9C37H54O3