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Murcko scaffold

Ring system with 5 rings and 18 atoms

31 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 18
Chemicals: 31
With full pages: 4

Scaffold SMILES

C1CC2CCC3C(CC4OC45CCCCC35)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 C1CC2CCC3C(CC4OC45CCCCC35)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 31 of 31 chemicals

5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one chemical structure, C21H32O3, CAS 2193-00-2

5alpha,6alpha-Epoxy-3beta-hydroxypregnan-20-one

CAS 2193-00-2C₂₁H₃₂O₃

5beta,6beta-Epoxycholesterol chemical structure, C27H46O2, CAS 4025-59-6

5beta,6beta-Epoxycholesterol

CAS 4025-59-6C₂₇H₄₆O₂

5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one chemical structure, C21H32O3, CAS 6585-70-2

5beta,6beta-Epoxy-3beta-hydroxypregnan-20-one

CAS 6585-70-2C₂₁H₃₂O₃

5alpha,6alpha-Epoxycholesterol chemical structure, C27H46O2, CAS 1250-95-9

5alpha,6alpha-Epoxycholesterol

CAS 1250-95-9C₂₇H₄₆O₂

5alpha-Pregnan-20-one,6alpha-epoxy-3beta-hydroxy-, acetate chemical structure, C23H34O4, CAS 14148-09-5

5alpha-Pregnan-20-one,6alpha-epoxy-3beta-hydroxy-, acetate

CAS 14148-09-5C₂₃H₃₄O₄

[(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-Acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate chemical structure, C23H34O5, CAS 34553-66-7

[(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-Acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate

CAS 34553-66-7C₂₃H₃₄O₅

5alpha,6alpha-Epoxycholestane chemical structure, C27H46O, CAS 20230-22-2

5alpha,6alpha-Epoxycholestane

CAS 20230-22-2C₂₇H₄₆O

5,6Beta-epoxy-5alpha-cholestan-3beta-ol chemical structure, C27H46O2, CAS 114246-94-5

5,6Beta-epoxy-5alpha-cholestan-3beta-ol

CAS 114246-94-5C₂₇H₄₆O₂

5alpha,6alpha-Epoxycholestanol-d7 chemical structure, C27H46O2, CAS 127685-38-5

5alpha,6alpha-Epoxycholestanol-d7

CAS 127685-38-5C₂₇H₄₆O₂

5Ss,6ss-epoxycholestanol-d7 chemical structure, C27H46O2, CAS 127684-06-4

5Ss,6ss-epoxycholestanol-d7

CAS 127684-06-4C₂₇H₄₆O₂

5alpha,6alpha-Epoxy-3beta,17-dihydroxy-16alpha-methylpregnan-20-one 3-acetate chemical structure, C24H36O5, CAS 2857-83-2

5alpha,6alpha-Epoxy-3beta,17-dihydroxy-16alpha-methylpregnan-20-one 3-acetate

CAS 2857-83-2C₂₄H₃₆O₅

5,6alpha-epoxy-5alpha-Cholestan-3alpha-ol chemical structure, C27H46O2, CAS 2953-38-0

5,6alpha-epoxy-5alpha-Cholestan-3alpha-ol

CAS 2953-38-0C₂₇H₄₆O₂

5,6-Epoxycholesterol chemical structure, C27H46O2, CAS 55700-78-2

5,6-Epoxycholesterol

CAS 55700-78-2C₂₇H₄₆O₂

(1S,2R,5S,7R,9S,11S,12S,15R,16R)-15-[(E,2R,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol chemical structure, C29H48O2, CAS 4042-99-3

(1S,2R,5S,7R,9S,11S,12S,15R,16R)-15-[(E,2R,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol

CAS 4042-99-3C₂₉H₄₈O₂

Armatinol A chemical structure, C30H48O4, CAS 745828-22-2

CAS 745828-22-2C₃₀H₄₈O₄

5alpha,6alpha-Epoxystigmastan-3beta-ol chemical structure, C29H50O2, CAS 53034-66-5

5alpha,6alpha-Epoxystigmastan-3beta-ol

CAS 53034-66-5C₂₉H₅₀O₂

5beta,6beta-5,6-Epoxystigmastan-3beta-yl acetate chemical structure, C31H52O3, CAS 125225-08-3

5beta,6beta-5,6-Epoxystigmastan-3beta-yl acetate

CAS 125225-08-3C₃₁H₅₂O₃

Gibberoepoxysterol chemical structure, C28H46O3, CAS 911366-26-2

Gibberoepoxysterol

CAS 911366-26-2C₂₈H₄₆O₃

5alpha,6alpha-Epoxy-3beta,17-dihydroxy-16alpha-methylpregnan-20-one chemical structure, C22H34O4, CAS 56630-87-6

5alpha,6alpha-Epoxy-3beta,17-dihydroxy-16alpha-methylpregnan-20-one

CAS 56630-87-6C₂₂H₃₄O₄

25,26,26,26,27,27,27-Heptafluoro-5|A,6|A-epoxycholestanol chemical structure, C27H39F7O2, CAS 240129-21-9

25,26,26,26,27,27,27-Heptafluoro-5|A,6|A-epoxycholestanol

CAS 240129-21-9C₂₇H₃₉F₇O₂

25,26,26,26,27,27,27-Heptafluoro-5beta,6beta-5,6-epoxycholestan-3beta-ol chemical structure, C27H39F7O2, CAS 240129-24-2

25,26,26,26,27,27,27-Heptafluoro-5beta,6beta-5,6-epoxycholestan-3beta-ol

CAS 240129-24-2C₂₇H₃₉F₇O₂

5,6-Epoxy-25,26,26,26,27,27,27-heptafluorocholestan-3-ol chemical structure, C27H39F7O2

5,6-Epoxy-25,26,26,26,27,27,27-heptafluorocholestan-3-ol

C₂₇H₃₉F₇O₂

3beta-Hydroxy-20-oxo-5alpha,6alpha-5,6-epoxypregnan-21-yl acetate chemical structure, C23H34O5, CAS 29752-10-1

3beta-Hydroxy-20-oxo-5alpha,6alpha-5,6-epoxypregnan-21-yl acetate

CAS 29752-10-1C₂₃H₃₄O₅

(1S,2R,7R,9S,11S,12S,15R,16R)-2,16-Dimethyl-15-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol chemical structure, C27H39F7O2

(1S,2R,7R,9S,11S,12S,15R,16R)-2,16-Dimethyl-15-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol

C₂₇H₃₉F₇O₂