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Murcko scaffold

Ring system with 4 rings and 19 atoms

16 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 19
Chemicals: 16
With full pages: 5

Scaffold SMILES

O=C1C=C2C(=O)CC3C4CCCC4CCC3C2CC1

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=C2C(=O)CC3C4CCCC4CCC3C2CC1

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 16 of 16 chemicals

Cholest-4-ene-3,6-dione chemical structure, C27H42O2, CAS 984-84-9

Cholest-4-ene-3,6-dione

CAS 984-84-9C₂₇H₄₂O₂

Pregn-4-en-3,6,20-trione chemical structure, C21H28O3, CAS 2243-08-5

Pregn-4-en-3,6,20-trione

CAS 2243-08-5C₂₁H₂₈O₃

Stigmast-4-ene-3,6-dione chemical structure, C29H46O2, CAS 23670-94-2

Stigmast-4-ene-3,6-dione

CAS 23670-94-2C₂₉H₄₆O₂

(22e)-Stigmasta-4,22-diene-3,6-dione chemical structure, C29H44O2, CAS 50868-51-4

(22e)-Stigmasta-4,22-diene-3,6-dione

CAS 50868-51-4C₂₉H₄₄O₂

6-Oxo norethindrone acetate chemical structure, C22H26O4, CAS 438244-27-0

6-Oxo norethindrone acetate

CAS 438244-27-0C₂₂H₂₆O₄

(10R,13R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione chemical structure, C29H46O2

(10R,13R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

C₂₉H₄₆O₂

Stigmast-4-ene-3,6-dione, (24x)- chemical structure, C29H46O2, CAS 57458-57-8

Stigmast-4-ene-3,6-dione, (24x)-

CAS 57458-57-8C₂₉H₄₆O₂

(17alpha)-17-Hydroxy-19-norpregn-4-en-20-yne-3,6-dione chemical structure, C20H24O3, CAS 67696-78-0

(17alpha)-17-Hydroxy-19-norpregn-4-en-20-yne-3,6-dione

CAS 67696-78-0C₂₀H₂₄O₃

Medroxyprogesterone impurity 12 chemical structure, C23H30O5, CAS 61345-71-9

Medroxyprogesterone impurity 12

CAS 61345-71-9C₂₃H₃₀O₅

(17beta)-17-Hydroxyandrost-4-ene-3,6-dione chemical structure, C19H26O3, CAS 570-94-5

(17beta)-17-Hydroxyandrost-4-ene-3,6-dione

CAS 570-94-5C₁₉H₂₆O₃

Campest-4-en-3,6-dione chemical structure, C28H44O2, CAS 85081-02-3

Campest-4-en-3,6-dione

CAS 85081-02-3C₂₈H₄₄O₂

6-Oxo D-(-)-norgestrel chemical structure, C21H26O3, CAS 1175109-63-3

6-Oxo D-(-)-norgestrel

CAS 1175109-63-3C₂₁H₂₆O₃

6-Keto-hydrocortisone chemical structure, C21H28O6, CAS 28003-93-2

6-Keto-hydrocortisone

CAS 28003-93-2C₂₁H₂₈O₆

(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-3,6-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl hexanoate chemical structure, C27H38O5, CAS 2803733-77-7

(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-3,6-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl hexanoate

CAS 2803733-77-7C₂₇H₃₈O₅

[2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3,6-dioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate chemical structure, C23H30O6, CAS 501019-84-7

[2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3,6-dioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

CAS 501019-84-7C₂₃H₃₀O₆

(2R)-2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,6-dioxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal chemical structure, C22H30O3, CAS 64662-12-0

(2R)-2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,6-dioxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal

CAS 64662-12-0C₂₂H₃₀O₃