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Murcko scaffold

Ring system with 5 rings and 21 atoms

15 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
15
With full pages
2
Scaffold SMILES

C1=C2CC3(CCC2C2CCC4CCCC4C2C1)OCCO3

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=C2CC3(CCC2C2CCC4CCCC4C2C1)OCCO3

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 15 of 15 chemicals

(17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile chemical structure, C22H31NO3
(17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile
C22H31NO3
3,3-Ethylenedioxycholest-5-ene chemical structure, C29H48O2, CAS 3496-88-6
3,3-Ethylenedioxycholest-5-ene
CAS 3496-88-6C29H48O2
[2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]-2-oxoethyl] acetate chemical structure, C25H36O5, CAS 13382-00-8
[2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]-2-oxoethyl] acetate
CAS 13382-00-8C25H36O5
(17beta)-3,3-[Ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile chemical structure, C22H31NO3, CAS 83196-58-1
(17beta)-3,3-[Ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile
CAS 83196-58-1C22H31NO3
1-(17-Hydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl)ethanone chemical structure, C23H34O4, CAS 68550-64-1
1-(17-Hydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl)ethanone
CAS 68550-64-1C23H34O4
10',13'-Dimethyl-17'-trimethylsilyloxyspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile chemical structure, C25H39NO3Si, CAS 1260372-73-3
10',13'-Dimethyl-17'-trimethylsilyloxyspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
CAS 1260372-73-3C25H39NO3Si
Dienogest impurity 17 chemical structure, C22H31NO3, CAS 33261-95-9
Dienogest impurity 17
CAS 33261-95-9C22H31NO3
Dydrogesterone impurity 29 chemical structure, C23H34O3, CAS 1051-35-0
Dydrogesterone impurity 29
CAS 1051-35-0C23H34O3
Pregn-5-en-20-yn-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl acetal, (17alpha)- chemical structure, C23H32O3, CAS 50407-76-6
Pregn-5-en-20-yn-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl acetal, (17alpha)-
CAS 50407-76-6C23H32O3
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane] 19-Norpregn-5-en-20-yn-3-one deriv. chemical structure, C22H30O3, CAS 22170-58-7
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane] 19-Norpregn-5-en-20-yn-3-one deriv.
CAS 22170-58-7C22H30O3
(17Beta)-3,3-[ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile chemical structure, C22H31NO3
(17Beta)-3,3-[ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile
C22H31NO3
Pregn-5-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, cyclic 3-(1,2-ethanediyl acetal) chemical structure, C26H38O5, CAS 809-01-8
Pregn-5-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, cyclic 3-(1,2-ethanediyl acetal)
CAS 809-01-8C26H38O5
Pregna-5,20-dien-3-one, 20-(hydroxymethyl)-, cyclic 1,2-ethanediyl acetal chemical structure, C24H36O3, CAS 143030-16-4
Pregna-5,20-dien-3-one, 20-(hydroxymethyl)-, cyclic 1,2-ethanediyl acetal
CAS 143030-16-4C24H36O3
(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol chemical structure, C23H32O3, CAS 100737-95-9
(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
CAS 100737-95-9C23H32O3
Lithium 3-[(8S,9S,10S,13S,14S,17S)-17-hydroxy-9,10,13-trimethylspiro[1,2,4,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]prop-2-ynoate chemical structure, C25H33LiO5, CAS 136673-12-6
Lithium 3-[(8S,9S,10S,13S,14S,17S)-17-hydroxy-9,10,13-trimethylspiro[1,2,4,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]prop-2-ynoate
CAS 136673-12-6C25H33LiO5