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Murcko scaffold

Ring system with 3 rings and 19 atoms

29 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
29
With full pages
8
Scaffold SMILES

C=C1CCC2CCCCC2C1CC=C1CCOC1=O

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 C=C1CCC2CCCCC2C1CC=C1CCOC1=O

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 29 of 29 chemicals

4-Hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one chemical structure, C20H30O5, CAS 1011492-21-9
4-Hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
CAS 1011492-21-9C20H30O5
Andrographolide chemical structure, C20H30O5, CAS 5508-58-7
Andrographolide
CAS 5508-58-7C20H30O5
Andropanolide chemical structure, C20H30O5, CAS 869807-57-8
Andropanolide
CAS 869807-57-8C20H30O5
Hedychilactone A chemical structure, C20H30O3, CAS 361483-29-6
Hedychilactone A
CAS 361483-29-6C20H30O3
Isoandrographolide chemical structure, C20H30O5, CAS 4176-96-9
Isoandrographolide
CAS 4176-96-9C20H30O5
14-Epiandrographolide chemical structure, C20H30O5, CAS 142037-79-4
14-Epiandrographolide
CAS 142037-79-4C20H30O5
(3E)-4-Hydroxy-3-{2-[(4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}dihydrofuran-2(3H)-one chemical structure, C20H30O5, CAS 1321912-88-2
(3E)-4-Hydroxy-3-{2-[(4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}dihydrofuran-2(3H)-one
CAS 1321912-88-2C20H30O5
Triacetylandrographolide chemical structure, C26H36O8, CAS 79233-05-9
Triacetylandrographolide
CAS 79233-05-9C26H36O8
Isocoronarin D chemical structure, C20H30O3, CAS 138965-88-5
Isocoronarin D
CAS 138965-88-5C20H30O3
Coronarin D chemical structure, C20H30O3, CAS 119188-37-3
Coronarin D
CAS 119188-37-3C20H30O3
Isocoronarin D chemical structure, C20H30O3
Isocoronarin D
C20H30O3
3-[2-(5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]-4-hydroxyoxolan-2-one chemical structure, C20H30O3
3-[2-(5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]-4-hydroxyoxolan-2-one
C20H30O3
3-[2-(5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]-5-methoxyoxolan-2-one chemical structure, C21H32O3
3-[2-(5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]-5-methoxyoxolan-2-one
C21H32O3
2(E),6(Z),9(Z),12(Z),15(Z),18(Z),21(Z)-Tetracosaheptaenoic acid chemical structure, C20H30O4, CAS 1312442-34-4
2(E),6(Z),9(Z),12(Z),15(Z),18(Z),21(Z)-Tetracosaheptaenoic acid
CAS 1312442-34-4C20H30O4
Coronarin D ethyl ether chemical structure, C22H34O3, CAS 138965-89-6
Coronarin D ethyl ether
CAS 138965-89-6C22H34O3
Coronarin D methyl ether chemical structure, C21H32O3, CAS 157528-81-9
Coronarin D methyl ether
CAS 157528-81-9C21H32O3
Calcaratarin D chemical structure, C20H30O3, CAS 284022-09-9
Calcaratarin D
CAS 284022-09-9C20H30O3
3-[2-(5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]-5-ethoxyoxolan-2-one chemical structure, C22H34O3
3-[2-(5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]-5-ethoxyoxolan-2-one
C22H34O3
Coronarin D Me ether chemical structure, C21H32O3
Coronarin D Me ether
C21H32O3
2(3H)-Furanone, 3-[2-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethylidene]dihydro-4-hydroxy-, [1S-[1alpha(3E,4S*),4abeta,8aalpha]]- chemical structure, C20H30O3
2(3H)-Furanone, 3-[2-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethylidene]dihydro-4-hydroxy-, [1S-[1alpha(3E,4S*),4abeta,8aalpha]]-
C20H30O3
3-[2-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethylidene]-5-ethoxydihydro-2(3H)-furanone chemical structure, C22H34O3
3-[2-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethylidene]-5-ethoxydihydro-2(3H)-furanone
C22H34O3
3-[2-[(8aS)-5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-methoxyoxolan-2-one chemical structure, C21H32O3
3-[2-[(8aS)-5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-methoxyoxolan-2-one
C21H32O3
Ethoxycoronarin D chemical structure, C22H34O3
Ethoxycoronarin D
C22H34O3
(4R)-3-[2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one chemical structure, C20H30O3
(4R)-3-[2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
C20H30O3