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Murcko scaffold

Ring system with 5 rings and 21 atoms

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
17
With full pages
4
Scaffold SMILES

C1=C2C3=C(CCC2C2CCCC2C1)CC1(CC3)OCCO1

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 C1=C2C3=C(CCC2C2CCCC2C1)CC1(CC3)OCCO1

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

1-[(8S,13S,14S,17S)-13,17-Dimethylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]propane-1,2-dione chemical structure, C24H32O4, CAS 153363-58-7
1-[(8S,13S,14S,17S)-13,17-Dimethylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]propane-1,2-dione
CAS 153363-58-7C24H32O4
(17alpha)-3,3-(1,2-Ethanediylbis(oxy))-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile chemical structure, C21H27NO3, CAS 33300-19-5
(17alpha)-3,3-(1,2-Ethanediylbis(oxy))-17-hydroxyestra-5(10),9(11)-diene-17-carbonitrile
CAS 33300-19-5C21H27NO3
Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-oxopropyl)-, cyclic 3-(1,2-ethanediyl acetal), (17alpha)- chemical structure, C23H32O4, CAS 153363-56-5
Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-oxopropyl)-, cyclic 3-(1,2-ethanediyl acetal), (17alpha)-
CAS 153363-56-5C23H32O4
Estra-5(10),9(11)-dien-3-one, 17-methyl-17-(1-oxopropyl)-, cyclic 3-(1,2-ethanediyl acetal), (17beta)- chemical structure, C24H34O3, CAS 42982-45-6
Estra-5(10),9(11)-dien-3-one, 17-methyl-17-(1-oxopropyl)-, cyclic 3-(1,2-ethanediyl acetal), (17beta)-
CAS 42982-45-6C24H34O3
Estra-5(10),9(11)-dien-3-one, 17-(acetyloxy)-17-(1-oxopropyl)-, cyclic 3-(1,2-ethanediyl acetal), (17alpha)- chemical structure, C25H34O5, CAS 153363-57-6
Estra-5(10),9(11)-dien-3-one, 17-(acetyloxy)-17-(1-oxopropyl)-, cyclic 3-(1,2-ethanediyl acetal), (17alpha)-
CAS 153363-57-6C25H34O5
(8'S,13'S,14'S,17'S)-13'-Methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol chemical structure, C20H28O3, CAS 53303-91-6
(8'S,13'S,14'S,17'S)-13'-Methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CAS 53303-91-6C20H28O3
Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (17beta)- chemical structure, C23H30O3, CAS 84371-69-7
Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (17beta)-
CAS 84371-69-7C23H30O3
19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-(acetyloxy)-, cyclic 3-(1,2-ethanediyl acetal) chemical structure, C24H32O5, CAS 240806-31-9
19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-(acetyloxy)-, cyclic 3-(1,2-ethanediyl acetal)
CAS 240806-31-9C24H32O5
Ulipristal impurity 28 chemical structure, C22H30O4, CAS 42982-49-0
Ulipristal impurity 28
CAS 42982-49-0C22H30O4
(8S,13S,14S,17R)-17-Allyl-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro(cyclopenta(a)phenanthrene-3,2'-(1,3)dioxolan)-17ol chemical structure, C23H32O3, CAS 141299-95-8
(8S,13S,14S,17R)-17-Allyl-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro(cyclopenta(a)phenanthrene-3,2'-(1,3)dioxolan)-17ol
CAS 141299-95-8C23H32O3
1-[(8S,13S,14S,17R)-13-Methyl-17-trimethylsilyloxyspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone chemical structure, C25H38O4Si, CAS 240806-23-9
1-[(8S,13S,14S,17R)-13-Methyl-17-trimethylsilyloxyspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
CAS 240806-23-9C25H38O4Si
19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-hydroxy-, cyclic 3-(1,2-ethanediyl acetal) chemical structure, C22H30O4
19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-hydroxy-, cyclic 3-(1,2-ethanediyl acetal)
C22H30O4
(8S,13S,14S,17S)-13,17-Dimethyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol chemical structure, C21H30O3, CAS 54690-62-9
(8S,13S,14S,17S)-13,17-Dimethyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol
CAS 54690-62-9C21H30O3
1-[(8S,13S,14S,17R)-17-Hydroxy-13-methyl-spiro[1,2,4,6,7,8,12,14, 15,16-decahydrocyclopenta[a]phenanthrene-3,2\'-1,3-dioxolane]-17-y l]ethanone chemical structure, C22H30O4
1-[(8S,13S,14S,17R)-17-Hydroxy-13-methyl-spiro[1,2,4,6,7,8,12,14, 15,16-decahydrocyclopenta[a]phenanthrene-3,2\'-1,3-dioxolane]-17-y l]ethanone
C22H30O4
(17alpha)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxy-19-norpregna-5(10),9(11)-diene-21-nitrile chemical structure, C22H29NO3, CAS 190662-30-7
(17alpha)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxy-19-norpregna-5(10),9(11)-diene-21-nitrile
CAS 190662-30-7C22H29NO3
17-Ethinyl-17-hydroxy-18-methylestra-5(10),9(11)-dien-3-one-3-ethylene ketal chemical structure, C23H30O3, CAS 23637-79-8
17-Ethinyl-17-hydroxy-18-methylestra-5(10),9(11)-dien-3-one-3-ethylene ketal
CAS 23637-79-8C23H30O3
Estra-5(10),9(11)-dien-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl acetal chemical structure, C20H28O3
Estra-5(10),9(11)-dien-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl acetal
C20H28O3