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Murcko scaffold

3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-5-one scaffold

18 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
18
With full pages
0
Scaffold SMILES

O=C1CCCC2=C1CCCO2

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 3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-5-one page
Murcko scaffold O=C1CCCC2=C1CCCO2

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 18 of 18 chemicals

2,3,4,6,7,8-Hexahydro-2-methyl-5H-1-benzopyran-5-one chemical structure, C10H14O2, CAS 34084-82-7
2,3,4,6,7,8-Hexahydro-2-methyl-5H-1-benzopyran-5-one
CAS 34084-82-7C10H14O2
(2S,8S)-8-Hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one chemical structure, C16H26O4, CAS 133471-72-4
(2S,8S)-8-Hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
CAS 133471-72-4C16H26O4
Koninginin E chemical structure, C16H26O4, CAS 154631-25-1
Koninginin E
CAS 154631-25-1C16H26O4
2alpha-[(S)-1-Hydroxyheptyl]-4beta,8alpha-dihydroxy-3,4,7,8-tetrahydro-2H-1-benzopyran-5(6H)-one chemical structure, C16H26O5, CAS 119903-56-9
2alpha-[(S)-1-Hydroxyheptyl]-4beta,8alpha-dihydroxy-3,4,7,8-tetrahydro-2H-1-benzopyran-5(6H)-one
CAS 119903-56-9C16H26O5
7,7-Dimethyl-2,3,4,6,7,8-hexahydro-5H-1-benzopyran-5-one chemical structure, C11H16O2, CAS 87875-55-6
7,7-Dimethyl-2,3,4,6,7,8-hexahydro-5H-1-benzopyran-5-one
CAS 87875-55-6C11H16O2
2-Ethoxy-7,7-dimethyl-2,3,4,6,7,8-hexahydro-5H-1-benzopyran-5-one chemical structure, C13H20O3, CAS 87698-48-4
2-Ethoxy-7,7-dimethyl-2,3,4,6,7,8-hexahydro-5H-1-benzopyran-5-one
CAS 87698-48-4C13H20O3
Trichodermatide B chemical structure, C16H24O4, CAS 1004302-93-5
Trichodermatide B
CAS 1004302-93-5C16H24O4
Trichodermatide C chemical structure, C16H24O3, CAS 1004302-95-7
Trichodermatide C
CAS 1004302-95-7C16H24O3
Trichodermatide D chemical structure, C16H24O4, CAS 1004302-97-9
Trichodermatide D
CAS 1004302-97-9C16H24O4
Koninginin B chemical structure, C16H26O4, CAS 134677-37-5
Koninginin B
CAS 134677-37-5C16H26O4
Methyl (2S,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate chemical structure, C17H26O4, CAS 1075686-60-0
Methyl (2S,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate
CAS 1075686-60-0C17H26O4
Methyl (2R,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate chemical structure, C17H26O4, CAS 1075686-59-7
Methyl (2R,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate
CAS 1075686-59-7C17H26O4
Methyl (2R,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate chemical structure, C17H26O4, CAS 1075686-36-0
Methyl (2R,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate
CAS 1075686-36-0C17H26O4
Methyl (2S,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate chemical structure, C17H26O4, CAS 1075686-55-3
Methyl (2S,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate
CAS 1075686-55-3C17H26O4
Methyl (2S,3S)-2-ethyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate chemical structure, C15H22O4, CAS 1075686-30-4
Methyl (2S,3S)-2-ethyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-3-carboxylate
CAS 1075686-30-4C15H22O4
(2R,3S)-Methyl 2-ethyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate chemical structure, C15H22O4, CAS 1075686-26-8
(2R,3S)-Methyl 2-ethyl-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate
CAS 1075686-26-8C15H22O4
3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-5-one chemical structure, C9H12O2, CAS 2126857-59-6
3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-5-one
CAS 2126857-59-6C9H12O2
Konginginin B chemical structure, C16H26O4
Konginginin B
C16H26O4