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Murcko scaffold

Ring system with 5 rings and 21 atoms

36 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
36
With full pages
8
Scaffold SMILES

O=C1CCc2c1c(=O)oc1c3c(ccc21)OC1OCCC31

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 O=C1CCc2c1c(=O)oc1c3c(ccc21)OC1OCCC31

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 36 of 36 chemicals

Aflatoxin B2 alpha chemical structure, C17H14O6, CAS 22040-96-6
Aflatoxin B2 alpha
CAS 22040-96-6C17H14O6
Aflatoxin B2A chemical structure, C17H14O7, CAS 17878-54-5
Aflatoxin B2A
CAS 17878-54-5C17H14O7
Aflatoxin B1 2,3-dichloride chemical structure, C17H12Cl2O6, CAS 58209-98-6
Aflatoxin B1 2,3-dichloride
CAS 58209-98-6C17H12Cl2O6
Aflatoxin Q2a chemical structure, C17H14O8, CAS 89989-32-2
Aflatoxin Q2a
CAS 89989-32-2C17H14O8
8-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-9-yl chloroacetate chemical structure, C19H15ClO9, CAS 75084-21-8
8-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-9-yl chloroacetate
CAS 75084-21-8C19H15ClO9
(4-Hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl) acetate chemical structure, C19H16O9, CAS 75084-23-0
(4-Hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl) acetate
CAS 75084-23-0C19H16O9
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8-hydroxy-4-methoxy-, dichloroacetate chemical structure, C19H14Cl2O8, CAS 75084-25-2
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8-hydroxy-4-methoxy-, dichloroacetate
CAS 75084-25-2C19H14Cl2O8
2,3,6a,8,9,9a-Hexahydro-8,9a-dihydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione chemical structure, C17H14O8, CAS 36601-31-7
2,3,6a,8,9,9a-Hexahydro-8,9a-dihydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
CAS 36601-31-7C17H14O8
8-Dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 chemical structure, C19H14Cl2O9, CAS 75084-24-1
8-Dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
CAS 75084-24-1C19H14Cl2O9
8-Trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 chemical structure, C19H13Cl3O9, CAS 75084-20-7
8-Trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
CAS 75084-20-7C19H13Cl3O9
8-Acetoxyalatoxin B2 chemical structure, C19H16O8, CAS 22596-82-3
8-Acetoxyalatoxin B2
CAS 22596-82-3C19H16O8
(6aS,8S,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl trichloroacetate chemical structure, C19H13Cl3O8, CAS 75084-30-9
(6aS,8S,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl trichloroacetate
CAS 75084-30-9C19H13Cl3O8
(6aS,8S,9R,9aS)-8,9-Dibromo-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione chemical structure, C17H12Br2O6, CAS 64267-69-2
(6aS,8S,9R,9aS)-8,9-Dibromo-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione
CAS 64267-69-2C17H12Br2O6
(6aR,8S,9R,9aR)-9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-carboximidamide chemical structure, C18H16N2O7, CAS 75084-19-4
(6aR,8S,9R,9aR)-9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-carboximidamide
CAS 75084-19-4C18H16N2O7
[(3S,5S,7S)-11-Methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2-chloroacetate chemical structure, C19H15ClO8, CAS 75084-26-3
[(3S,5S,7S)-11-Methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2-chloroacetate
CAS 75084-26-3C19H15ClO8
(6aS,8S,9R,9aR)-9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl trifluoroacetate chemical structure, C19H13F3O9, CAS 75084-31-0
(6aS,8S,9R,9aR)-9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl trifluoroacetate
CAS 75084-31-0C19H13F3O9
Aflatoxin B2 chemical structure, C17H14O6, CAS 7220-81-7
Aflatoxin B2
CAS 7220-81-7C17H14O6
Aflatoxin B1 diol chemical structure, C17H14O8, CAS 50668-79-6
Aflatoxin B1 diol
CAS 50668-79-6C17H14O8
Afb1-gsh conjugate chemical structure, C27H29N3O13S, CAS 68385-50-2
Afb1-gsh conjugate
CAS 68385-50-2C27H29N3O13S
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,8,9,9a-hexahydro-4-methoxy- chemical structure, C17H12Cl2O6, CAS 63976-04-5
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,8,9,9a-hexahydro-4-methoxy-
CAS 63976-04-5C17H12Cl2O6
Aflatoxin M2 chemical structure, C17H14O7, CAS 6885-57-0
Aflatoxin M2
CAS 6885-57-0C17H14O7
(3S,7R)-3-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione chemical structure, C17H14O7, CAS 23176-63-8
(3S,7R)-3-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
CAS 23176-63-8C17H14O7
(±)-Demethoxyaflatoxin B2 chemical structure, C16H12O5, CAS 135365-46-7
(±)-Demethoxyaflatoxin B2
CAS 135365-46-7C16H12O5
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-sulfonic acid,1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxo-, sodium salt chemical structure, C17H13NaO9S, CAS 85985-71-3
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-sulfonic acid,1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxo-, sodium salt
CAS 85985-71-3C17H13NaO9S