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Murcko scaffold

Ring system with 4 rings and 16 atoms

26 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
16
Chemicals
26
With full pages
5
Scaffold SMILES

C1CC2CCC34CCC(CCC3CC2C1)C4

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 C1CC2CCC34CCC(CCC3CC2C1)C4

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 26 of 26 chemicals

Dihydrograyanotoxin II chemical structure, C20H34O5, CAS 38776-76-0
Dihydrograyanotoxin II
CAS 38776-76-0C20H34O5
Asebotoxin I chemical structure, C23H38O7, CAS 23984-17-0
Asebotoxin I
CAS 23984-17-0C23H38O7
Asebotoxin V, bisdeacyl- chemical structure, C20H34O7, CAS 56663-60-6
Asebotoxin V, bisdeacyl-
CAS 56663-60-6C20H34O7
Dihydrolyoniol B chemical structure, C20H34O6, CAS 29708-82-5
Dihydrolyoniol B
CAS 29708-82-5C20H34O6
Grayanotoxane-3,5,6,10,14,16-hexol chemical structure, C20H34O6, CAS 30460-38-9
Grayanotoxane-3,5,6,10,14,16-hexol
CAS 30460-38-9C20H34O6
10-Deoxygrayanotoxin III chemical structure, C20H34O5, CAS 38776-77-1
10-Deoxygrayanotoxin III
CAS 38776-77-1C20H34O5
Rhodojaponin IV chemical structure, C24H38O8, CAS 30460-34-5
Rhodojaponin IV
CAS 30460-34-5C24H38O8
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)- chemical structure, C20H34O5, CAS 59236-83-8
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
CAS 59236-83-8C20H34O5
Grayanotoxane-5,6,10,14,16-pentol chemical structure, C20H34O5, CAS 59236-84-9
Grayanotoxane-5,6,10,14,16-pentol
CAS 59236-84-9C20H34O5
Grayanotoxin-III, 14-deoxy- chemical structure, C20H34O5, CAS 54781-61-2
Grayanotoxin-III, 14-deoxy-
CAS 54781-61-2C20H34O5
3,5,10,14,16-Pentahydroxygrayanotoxan-6-yl acetate chemical structure, C22H36O7, CAS 54781-72-5
3,5,10,14,16-Pentahydroxygrayanotoxan-6-yl acetate
CAS 54781-72-5C22H36O7
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-butyrate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)- chemical structure, C24H40O7, CAS 84849-09-2
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-butyrate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
CAS 84849-09-2C24H40O7
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-valerate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)- chemical structure, C25H42O7, CAS 84849-10-5
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-valerate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
CAS 84849-10-5C25H42O7
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-hexanoate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)- chemical structure, C26H44O7, CAS 84849-11-6
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-hexanoate, (2S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
CAS 84849-11-6C26H44O7
RefChem:1074285 chemical structure, C23H37ClO7, CAS 84849-13-8
RefChem:1074285
CAS 84849-13-8C23H37ClO7
3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 2,2-dimethylpropanoate chemical structure, C25H42O7, CAS 84849-16-1
3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 2,2-dimethylpropanoate
CAS 84849-16-1C25H42O7
3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 2-hydroxypropanoate chemical structure, C23H38O8, CAS 84893-93-6
3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl 2-hydroxypropanoate
CAS 84893-93-6C23H38O8
Grayanotoxin I chemical structure, C22H36O7, CAS 4720-09-6
Grayanotoxin I
CAS 4720-09-6C22H36O7
Grayanotoxin iii chemical structure, C20H34O6, CAS 4678-45-9
Grayanotoxin iii
CAS 4678-45-9C20H34O6
Rhodojaponin VI chemical structure, C20H34O7, CAS 37720-87-9
Rhodojaponin VI
CAS 37720-87-9C20H34O7
Kalmitoxin III chemical structure, C22H36O8, CAS 72514-64-8
Kalmitoxin III
CAS 72514-64-8C22H36O8
Asebotoxin IV chemical structure, C23H38O8, CAS 33476-73-2
Asebotoxin IV
CAS 33476-73-2C23H38O8
Asebotoxin V chemical structure, C25H40O9, CAS 33476-74-3
Asebotoxin V
CAS 33476-74-3C25H40O9
Pieristoxin F chemical structure, C25H40O9, CAS 56662-60-3
Pieristoxin F
CAS 56662-60-3C25H40O9