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Murcko scaffold

Ring system with 5 rings and 21 atoms

9 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 21
Chemicals: 9
With full pages: 1

Scaffold SMILES

C1=C2CCCCC2C2CCC3C(CCC34OCCO4)C2C1

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=C2CCCCC2C2CCC3C(CCC34OCCO4)C2C1

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 9 of 9 chemicals

5-Androsten-3beta-ol-17-one ethyleneketal chemical structure, C21H32O3, CAS 7745-40-6

5-Androsten-3beta-ol-17-one ethyleneketal

CAS 7745-40-6C₂₁H₃₂O₃

(3S,10R,13S,14S,16R)-16-Bromo-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol chemical structure, C21H31BrO3, CAS 17921-61-8

(3S,10R,13S,14S,16R)-16-Bromo-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol

CAS 17921-61-8C₂₁H₃₁BrO₃

(3S,10R,13S)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane]-3-yl acetate chemical structure, C23H34O4, CAS 17921-59-4

(3S,10R,13S)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane]-3-yl acetate

CAS 17921-59-4C₂₃H₃₄O₄

3|A-Acetoxy-17,17-ethylenedioxyandrost-5-ene chemical structure, C23H34O4, CAS 14456-20-3

3|A-Acetoxy-17,17-ethylenedioxyandrost-5-ene

CAS 14456-20-3C₂₃H₃₄O₄

17,17-Ethylenedioxy-androst-5-ene-3alpha-ol chemical structure, C21H32O3, CAS 14456-21-4

17,17-Ethylenedioxy-androst-5-ene-3alpha-ol

CAS 14456-21-4C₂₁H₃₂O₃

[(8R,9R,10R,13S,14R)-7-Hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-yl] acetate chemical structure, C23H34O5, CAS 67576-45-8

[(8R,9R,10R,13S,14R)-7-Hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-yl] acetate

CAS 67576-45-8C₂₃H₃₄O₅

[(8R,9R,10R,13S,14R)-7-Hydroxy-10,13-dimethyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2-1,3-dioxolane]-3-yl] acetate chemical structure, C23H34O5

[(8R,9R,10R,13S,14R)-7-Hydroxy-10,13-dimethyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2-1,3-dioxolane]-3-yl] acetate

C₂₃H₃₄O₅

Estr-a5-aen-a17-aone, 10-aethynyl-a3I(2)-ahydroxy-a, cyclic ethylene acetal chemical structure, C22H30O3, CAS 4658-77-9

Estr-a5-aen-a17-aone, 10-aethynyl-a3I(2)-ahydroxy-a, cyclic ethylene acetal

CAS 4658-77-9C₂₂H₃₀O₃

[(8R,9R,10R,13S,14R)-7-Hydroxy-10,13-dimethyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2-1,3-dioxolane]-3-yl] acetate chemical structure, C23H34O5

[(8R,9R,10R,13S,14R)-7-Hydroxy-10,13-dimethyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2-1,3-dioxolane]-3-yl] acetate

C₂₃H₃₄O₅