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Murcko scaffold

Ring system with 3 rings and 16 atoms

12 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 16
Chemicals: 12
With full pages: 4

Scaffold SMILES

C=C1C(=O)OC2C1CCC1CCCC(=C)C12

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=C1C(=O)OC2C1CCC1CCCC(=C)C12

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 12 of 12 chemicals

6-Hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one chemical structure, C15H20O3, CAS 29424-04-2

6-Hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one

CAS 29424-04-2C₁₅H₂₀O₃

Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)- chemical structure, C17H22O5, CAS 69845-02-9

Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-

CAS 69845-02-9C₁₇H₂₂O₅

Naphtho(1,2-b)furan-2(3H)-one, decahydro-4,6-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4S,5aR,6R,9aS,9bR)- chemical structure, C15H20O4, CAS 75433-10-2

Naphtho(1,2-b)furan-2(3H)-one, decahydro-4,6-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4S,5aR,6R,9aS,9bR)-

CAS 75433-10-2C₁₅H₂₀O₄

Ludovicin B chemical structure, C15H20O4, CAS 27740-14-3

CAS 27740-14-3C₁₅H₂₀O₄

Arbusculin C chemical structure, C15H20O3, CAS 33530-71-1

CAS 33530-71-1C₁₅H₂₀O₃

Critonilide chemical structure, C15H20O2, CAS 62487-25-6

CAS 62487-25-6C₁₅H₂₀O₂

(6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 2-methylbut-2-enoate chemical structure, C20H26O5

(6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) 2-methylbut-2-enoate

C₂₀H₂₆O₅

beta-Cyclocostunolide chemical structure, C15H20O2, CAS 2221-82-1

beta-Cyclocostunolide

CAS 2221-82-1C₁₅H₂₀O₂

Reynosin chemical structure, C15H20O3, CAS 28254-53-7

CAS 28254-53-7C₁₅H₂₀O₃

(6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) (E)-2-methylbut-2-enoate chemical structure, C20H26O5, CAS 80368-31-6

(6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) (E)-2-methylbut-2-enoate

CAS 80368-31-6C₂₀H₂₆O₅

8beta-Tigloyloxyreynosin chemical structure, C20H26O5

8beta-Tigloyloxyreynosin

C₂₀H₂₆O₅

(3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho(1,2-b)furan-2(3H)-one chemical structure, C15H20O4, CAS 1401-54-3

(3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho(1,2-b)furan-2(3H)-one

CAS 1401-54-3C₁₅H₂₀O₄