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Murcko scaffold

Ring system with 2 rings and 14 atoms

8 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
14
Chemicals
8
With full pages
1
Scaffold SMILES

C=C1CCCCC1OC1CCCCO1

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 C=C1CCCCC1OC1CCCCO1

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 8 of 8 chemicals

2-[2,3,4-Trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile chemical structure, C14H21NO9
2-[2,3,4-Trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile
C14H21NO9
Dide-O-methylsimmondsin chemical structure, C14H21NO9
Dide-O-methylsimmondsin
C14H21NO9
Simmondsin chemical structure, C16H25NO9, CAS 51771-52-9
Simmondsin
CAS 51771-52-9C16H25NO9
Citroside A chemical structure, C19H30O8, CAS 120330-44-1
Citroside A
CAS 120330-44-1C19H30O8
(1S,2S,3Z,4R,6S)-3-(Cyanomethylene)-4-(I(2)-D-glucopyranosyloxy)-2,6-dihydroxycyclohexyl 3-methyl-2-butenoate chemical structure, C19H27NO10, CAS 156368-85-3
(1S,2S,3Z,4R,6S)-3-(Cyanomethylene)-4-(I(2)-D-glucopyranosyloxy)-2,6-dihydroxycyclohexyl 3-methyl-2-butenoate
CAS 156368-85-3C19H27NO10
5-Demethylsimmondsin chemical structure, C15H23NO9, CAS 135105-75-8
5-Demethylsimmondsin
CAS 135105-75-8C15H23NO9
Menisdaurin D chemical structure, C14H21NO7, CAS 1979981-80-0
Menisdaurin D
CAS 1979981-80-0C14H21NO7
Didemethylsimmondsin chemical structure, C14H21NO9, CAS 135074-86-1
Didemethylsimmondsin
CAS 135074-86-1C14H21NO9