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Murcko scaffold

Ring system with 3 rings and 18 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
7
With full pages
1
Scaffold SMILES

O=C1C=CCC(C=Cc2ccc3c(c2)OCO3)O1

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=C1C=CCC(C=Cc2ccc3c(c2)OCO3)O1

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 7 of 7 chemicals

2-[2-(1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one chemical structure, C15H14O5, CAS 20697-20-5
2-[2-(1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one
CAS 20697-20-5C15H14O5
(+)-Methysticin chemical structure, C15H14O5, CAS 495-85-2
(+)-Methysticin
CAS 495-85-2C15H14O5
Kava kava chemical structure, C15H14O5, CAS 9000-38-8
Kava kava
CAS 9000-38-8C15H14O5
(2S)-2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one chemical structure, C15H14O5
(2S)-2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one
C15H14O5
(2S,3R)-2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one chemical structure, C15H14O6, CAS 52525-97-0
(2S,3R)-2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
CAS 52525-97-0C15H14O6
(2S,3R)-2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-3,4-dimethoxy-2,3-dihydropyran-6-one chemical structure, C16H16O6, CAS 52525-99-2
(2S,3R)-2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-3,4-dimethoxy-2,3-dihydropyran-6-one
CAS 52525-99-2C16H16O6
(5S,6s)-6-[(e)-2-(1,3-Benzodioxol-5-yl)ethenyl]-5,6-dihydro-4,5-dimethoxy-2H-pyran-2-one chemical structure, C16H16O6, CAS 52526-00-8
(5S,6s)-6-[(e)-2-(1,3-Benzodioxol-5-yl)ethenyl]-5,6-dihydro-4,5-dimethoxy-2H-pyran-2-one
CAS 52526-00-8C16H16O6