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Murcko scaffold

Ring system with 5 rings and 21 atoms

25 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
25
With full pages
6
Scaffold SMILES

O=C1CCc2c1c(=O)oc1c3c(ccc21)OC1OC=CC31

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)OC1OC=CC31

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 25 of 25 chemicals

4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione chemical structure, C17H12O6, CAS 408530-29-0
4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
CAS 408530-29-0C17H12O6
(3S,6aR,9aS)-2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione chemical structure, C17H12O7, CAS 52819-96-2
(3S,6aR,9aS)-2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
CAS 52819-96-2C17H12O7
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dibromo-2,3,6a,9a-tetrahydro-4-methoxy-, (6aS-cis)- chemical structure, C17H10Br2O6, CAS 107022-05-9
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dibromo-2,3,6a,9a-tetrahydro-4-methoxy-, (6aS-cis)-
CAS 107022-05-9C17H10Br2O6
9a-(Acetyloxy)-2,3,6a,9a-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione chemical structure, C19H14O8, CAS 36601-30-6
9a-(Acetyloxy)-2,3,6a,9a-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
CAS 36601-30-6C19H14O8
4-{[(3S,6aR,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-3-yl]oxy}-4-oxobutanoic acid chemical structure, C21H16O10, CAS 78261-83-3
4-{[(3S,6aR,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-3-yl]oxy}-4-oxobutanoic acid
CAS 78261-83-3C21H16O10
Aflatoxin B1-8,9-dichloride chemical structure, C17H10Cl2O6, CAS 119718-03-5
Aflatoxin B1-8,9-dichloride
CAS 119718-03-5C17H10Cl2O6
Aflatoxin B1 chemical structure, C17H12O6, CAS 1162-65-8
Aflatoxin B1
CAS 1162-65-8C17H12O6
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-2,3-dihydroxy-4-methoxy- chemical structure, C17H12O8, CAS 78506-30-6
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-2,3-dihydroxy-4-methoxy-
CAS 78506-30-6C17H12O8
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,9a-tetrahydro-4-methoxy- chemical structure, C17H10Cl2O6, CAS 84953-74-2
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,9a-tetrahydro-4-methoxy-
CAS 84953-74-2C17H10Cl2O6
2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione chemical structure, C17H12O7, CAS 55058-52-1
2,3,6a,9a-Tetrahydro-3-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
CAS 55058-52-1C17H12O7
Aflatoxin P1 chemical structure, C16H10O6, CAS 32215-02-4
Aflatoxin P1
CAS 32215-02-4C16H10O6
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4,9a-dihydroxy-, (6aR-cis)- chemical structure, C16H10O7, CAS 113568-92-6
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4,9a-dihydroxy-, (6aR-cis)-
CAS 113568-92-6C16H10O7
(6aR-cis)-1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde chemical structure, C18H12O7, CAS 51541-43-6
(6aR-cis)-1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde
CAS 51541-43-6C18H12O7
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione-9-t, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)- chemical structure, C17H12O6, CAS 75084-27-4
Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione-9-t, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-
CAS 75084-27-4C17H12O6
Cyclopenta(c)furo(3',2':4,5)uro(2,3-h)(1)benzopyran-1,11-dione-9-d, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)- chemical structure, C17H12O6, CAS 75084-28-5
Cyclopenta(c)furo(3',2':4,5)uro(2,3-h)(1)benzopyran-1,11-dione-9-d, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-
CAS 75084-28-5C17H12O6
(6aS,9aS)-4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione chemical structure, C17H12O6, CAS 1212339-27-9
(6aS,9aS)-4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
CAS 1212339-27-9C17H12O6
Aflatoxin M1 chemical structure, C17H12O7, CAS 6795-23-9
Aflatoxin M1
CAS 6795-23-9C17H12O7
Aflatoxin B1-d3 chemical structure, C17H12O6, CAS 1217702-31-2
Aflatoxin B1-d3
CAS 1217702-31-2C17H12O6
(3S,7R)-11-(113C)methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione chemical structure, C17H12O6, CAS 1217449-45-0
(3S,7R)-11-(113C)methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
CAS 1217449-45-0C17H12O6
(3R,7R)-3-Hydroxy-11-(trideuteriomethoxy)-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione chemical structure, C17H12O7, CAS 1330042-13-1
(3R,7R)-3-Hydroxy-11-(trideuteriomethoxy)-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
CAS 1330042-13-1C17H12O7
15-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione chemical structure, C17H12O7
15-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
C17H12O7
Epi-aflatoxin q1 chemical structure, C17H12O7, CAS 56648-94-3
Epi-aflatoxin q1
CAS 56648-94-3C17H12O7
(3S,7R,14R)-14-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione chemical structure, C17H12O7, CAS 1799830-00-4
(3S,7R,14R)-14-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
CAS 1799830-00-4C17H12O7
Aflatoxin M4 chemical structure, C17H12O7, CAS 104700-21-2
Aflatoxin M4
CAS 104700-21-2C17H12O7