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Murcko scaffold

Hexahydropentalen-2(1H)-one scaffold

45 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
9
Chemicals
45
With full pages
9
Scaffold SMILES

O=C1CC2CCCC2C1

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 scaffoldOpen the Hexahydropentalen-2(1H)-one page
Murcko scaffold O=C1CC2CCCC2C1

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 45 of 45 chemicals

Cioteronel chemical structure, C16H28O2, CAS 89672-11-7
Cioteronel
CAS 89672-11-7C16H28O2
Ethyl 2-oxooctahydropentalene-3a-carboxylate chemical structure, C11H16O3, CAS 180573-21-1
Ethyl 2-oxooctahydropentalene-3a-carboxylate
CAS 180573-21-1C11H16O3
rac-(3aR,5R,6aS)-5-methoxy-octahydropentalen-2-one chemical structure, C9H14O2, CAS 441016-97-3
rac-(3aR,5R,6aS)-5-methoxy-octahydropentalen-2-one
CAS 441016-97-3C9H14O2
(3aS,4S,6aS)-3a,6a-Dimethyl-4-prop-1-en-2-yl-3,4,5,6-tetrahydro-1H-pentalen-2-one chemical structure, C13H20O, CAS 581096-88-0
(3aS,4S,6aS)-3a,6a-Dimethyl-4-prop-1-en-2-yl-3,4,5,6-tetrahydro-1H-pentalen-2-one
CAS 581096-88-0C13H20O
1,1-Dichlorohexahydro-2(1H)-pentalenone chemical structure, C8H10Cl2O, CAS 367911-97-5
1,1-Dichlorohexahydro-2(1H)-pentalenone
CAS 367911-97-5C8H10Cl2O
Hexahydropentalen-2(1H)-one chemical structure, C8H12O, CAS 56180-61-1
Hexahydropentalen-2(1H)-one
CAS 56180-61-1C8H12O
(3aR,6aS)-Octahydropentalen-2-one chemical structure, C8H12O, CAS 19915-11-8
(3aR,6aS)-Octahydropentalen-2-one
CAS 19915-11-8C8H12O
5-Hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one chemical structure, C9H14O3, CAS 94595-91-2
5-Hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CAS 94595-91-2C9H14O3
5-Hydroxy-hexahydro-pentalen-2-one chemical structure, C8H12O2, CAS 1824337-17-8
5-Hydroxy-hexahydro-pentalen-2-one
CAS 1824337-17-8C8H12O2
(3aR,6aS)-5-[tert-Butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one chemical structure, C14H26O2Si, CAS 71909-66-5
(3aR,6aS)-5-[tert-Butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CAS 71909-66-5C14H26O2Si
Methyl 2-oxo-octahydropentalene-1-carboxylate chemical structure, C10H14O3, CAS 1559563-60-8
Methyl 2-oxo-octahydropentalene-1-carboxylate
CAS 1559563-60-8C10H14O3
[3aS-(3a,4,5,6a)]-(9CI)-4-[[[(1,1-DiMethylethyl)diMethylsilyl]oxy]Methyl]hexahydro-5-hydroxy-2(1H)-pentalenone chemical structure, C15H28O3Si, CAS 81266-61-7
[3aS-(3a,4,5,6a)]-(9CI)-4-[[[(1,1-DiMethylethyl)diMethylsilyl]oxy]Methyl]hexahydro-5-hydroxy-2(1H)-pentalenone
CAS 81266-61-7C15H28O3Si
rac-(3aR,6aR)-2-oxo-octahydropentalene-3a-carboxylic acid chemical structure, C9H12O3
rac-(3aR,6aR)-2-oxo-octahydropentalene-3a-carboxylic acid
C9H12O3
2,2-Diethyl 5-oxo-octahydropentalene-2,2-dicarboxylate chemical structure, C14H20O5, CAS 36237-91-9
2,2-Diethyl 5-oxo-octahydropentalene-2,2-dicarboxylate
CAS 36237-91-9C14H20O5
rac-(3aR,5R,6aS)-5-hydroxy-octahydropentalen-2-one chemical structure, C8H12O2, CAS 71909-64-3
rac-(3aR,5R,6aS)-5-hydroxy-octahydropentalen-2-one
CAS 71909-64-3C8H12O2
(1R,3aR,6aR)-5-Oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carbaldehyde chemical structure, C9H12O2, CAS 175601-83-9
(1R,3aR,6aR)-5-Oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carbaldehyde
CAS 175601-83-9C9H12O2
5-Methyl-octahydropentalen-2-one chemical structure, C9H14O, CAS 860569-26-2
5-Methyl-octahydropentalen-2-one
CAS 860569-26-2C9H14O
5-Methoxy-octahydropentalen-2-one chemical structure, C9H14O2, CAS 1822640-67-4
5-Methoxy-octahydropentalen-2-one
CAS 1822640-67-4C9H14O2
(3aR,5S,6aS)-5-Amino-octahydropentalen-2-one chemical structure, C8H13NO, CAS 1348932-27-3
(3aR,5S,6aS)-5-Amino-octahydropentalen-2-one
CAS 1348932-27-3C8H13NO
2-Oxooctahydropentalene-3A-carboxylic acid chemical structure, C9H12O3, CAS 1421065-37-3
2-Oxooctahydropentalene-3A-carboxylic acid
CAS 1421065-37-3C9H12O3
5-Oxo-octahydropentalene-2-carboxylic acid chemical structure, C9H12O3, CAS 1785229-91-5
5-Oxo-octahydropentalene-2-carboxylic acid
CAS 1785229-91-5C9H12O3
2-(5-Oxooctahydropentalen-2-yl)acetic acid chemical structure, C10H14O3, CAS 1334385-35-1
2-(5-Oxooctahydropentalen-2-yl)acetic acid
CAS 1334385-35-1C10H14O3
Ethyl 2-oxooctahydropentalene-1-carboxylate chemical structure, C11H16O3, CAS 91085-03-9
Ethyl 2-oxooctahydropentalene-1-carboxylate
CAS 91085-03-9C11H16O3
rel-(2r,3aR,6aS)-5-Oxooctahydropentalene-2-carboxylic acid chemical structure, C9H12O3, CAS 1447942-32-6
rel-(2r,3aR,6aS)-5-Oxooctahydropentalene-2-carboxylic acid
CAS 1447942-32-6C9H12O3