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Murcko scaffold

Ring system with 4 rings and 18 atoms

36 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
36
With full pages
8
Scaffold SMILES

O=C1C=CC2C(=C1)C=CC1C3CCCC3CCC21

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=C1C=CC2C(=C1)C=CC1C3CCCC3CCC21

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 36 of 36 chemicals

(9R,10S,13S,17S)-17-Acetyl-6-chloro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one chemical structure, C21H25ClO2
(9R,10S,13S,17S)-17-Acetyl-6-chloro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
C21H25ClO2
1,4,6-Cholestatrien-3-one chemical structure, C27H40O, CAS 3464-60-6
1,4,6-Cholestatrien-3-one
CAS 3464-60-6C27H40O
1,4,6-Androstatrien-3-one-17 beta-ol chemical structure, C19H24O2, CAS 4075-12-1
1,4,6-Androstatrien-3-one-17 beta-ol
CAS 4075-12-1C19H24O2
RU 28362 chemical structure, C23H28O3, CAS 74915-64-3
RU 28362
CAS 74915-64-3C23H28O3
RU 26988 chemical structure, C22H26O3, CAS 74915-58-5
RU 26988
CAS 74915-58-5C22H26O3
RU 52461 chemical structure, C23H27FO3, CAS 141357-52-0
RU 52461
CAS 141357-52-0C23H27FO3
[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate chemical structure, C21H26O3, CAS 42224-78-2
[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS 42224-78-2C21H26O3
6-Dehydro prednisolone chemical structure, C21H26O5, CAS 2427-64-7
6-Dehydro prednisolone
CAS 2427-64-7C21H26O5
(8S,9R,10S,11S,13S,14S,17R)-17-Acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-8,11,12,14,15,16-hexahydrocyclopenta[a]phenanthren-3-one chemical structure, C22H27FO4, CAS 2251-88-9
(8S,9R,10S,11S,13S,14S,17R)-17-Acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-8,11,12,14,15,16-hexahydrocyclopenta[a]phenanthren-3-one
CAS 2251-88-9C22H27FO4
Cloprednol chemical structure, C21H25ClO5, CAS 5251-34-3
Cloprednol
CAS 5251-34-3C21H25ClO5
Ro 6-5403 chemical structure, C23H26O2, CAS 51018-08-7
Ro 6-5403
CAS 51018-08-7C23H26O2
Delmadinone acetate chemical structure, C23H27ClO4, CAS 13698-49-2
Delmadinone acetate
CAS 13698-49-2C23H27ClO4
Delmadinone chemical structure, C21H25ClO3, CAS 15262-77-8
Delmadinone
CAS 15262-77-8C21H25ClO3
Chola-1,4,6-triene-24-carboxylic acid, 3-oxo-, methyl ester chemical structure, C26H36O3, CAS 78783-01-4
Chola-1,4,6-triene-24-carboxylic acid, 3-oxo-, methyl ester
CAS 78783-01-4C26H36O3
6,7-Didehydro methylprednisolone chemical structure, C22H28O5, CAS 95810-22-3
6,7-Didehydro methylprednisolone
CAS 95810-22-3C22H28O5
Ergosta-1,4,6,22-tetraen-3-one, (22E)- chemical structure, C28H40O, CAS 6538-04-1
Ergosta-1,4,6,22-tetraen-3-one, (22E)-
CAS 6538-04-1C28H40O
1-Dehydromegesterol acetate chemical structure, C24H30O4, CAS 982-89-8
1-Dehydromegesterol acetate
CAS 982-89-8C24H30O4
6,7-Dehydro prednisolone 21-acetate chemical structure, C23H28O6, CAS 2427-45-4
6,7-Dehydro prednisolone 21-acetate
CAS 2427-45-4C23H28O6
17-Methyl-17-hydroxyandrosta-1,4,6-trien-3-one chemical structure, C20H26O2, CAS 28816-02-6
17-Methyl-17-hydroxyandrosta-1,4,6-trien-3-one
CAS 28816-02-6C20H26O2
(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one chemical structure, C22H28O5, CAS 13954-10-4
(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
CAS 13954-10-4C22H28O5
Pregna-1,4,6-triene-3,20-dione chemical structure, C21H26O2, CAS 4192-93-2
Pregna-1,4,6-triene-3,20-dione
CAS 4192-93-2C21H26O2
Norselic acid A chemical structure, C29H40O4, CAS 1190954-38-1
Norselic acid A
CAS 1190954-38-1C29H40O4
Norselic acid E chemical structure, C31H42O5, CAS 1190954-42-7
Norselic acid E
CAS 1190954-42-7C31H42O5
17-Hydroxy-1,4,6-pregnatriene-3,20-dione chemical structure, C21H26O3, CAS 66212-25-7
17-Hydroxy-1,4,6-pregnatriene-3,20-dione
CAS 66212-25-7C21H26O3