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Murcko scaffold

Ring system with 5 rings and 28 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
10
With full pages
4
Scaffold SMILES

O=C1CCC2C=CC3C4OC2(C=CCCO1)C3CCC4OC(=O)c1ccc[nH]1

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=C1CCC2C=CC3C4OC2(C=CCCO1)C3CCC4OC(=O)c1ccc[nH]1

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 10 of 10 chemicals

[6-Hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate chemical structure, C28H37NO8
[6-Hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
C28H37NO8
[(1S,3S,4R,5R,6R,7S,8R,11S,13S,16S,17R,18E)-6-Hydroxy-16-[(1R)-1-hydroxyethyl]-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate chemical structure, C28H37NO8
[(1S,3S,4R,5R,6R,7S,8R,11S,13S,16S,17R,18E)-6-Hydroxy-16-[(1R)-1-hydroxyethyl]-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
C28H37NO8
Nargenicin A chemical structure, C28H37NO8
Nargenicin A
C28H37NO8
Nargenicin chemical structure, C28H37NO8, CAS 70695-02-2
Nargenicin
CAS 70695-02-2C28H37NO8
Nargenicin A1 chemical structure, C28H37NO8
Nargenicin A1
C28H37NO8
18-Deoxynargenicin A1 chemical structure, C28H37NO7, CAS 81482-43-1
18-Deoxynargenicin A1
CAS 81482-43-1C28H37NO7
Nargenicin chemical structure, C28H37NO8
Nargenicin
C28H37NO8
[(1S)-6-Hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate chemical structure, C28H37NO8
[(1S)-6-Hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
C28H37NO8
Nargenicin chemical structure, C28H37NO8
Nargenicin
C28H37NO8
Nargenicin chemical structure, C28H37NO8
Nargenicin
C28H37NO8