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Murcko scaffold

Ring system with 2 rings and 14 atoms

15 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
14
Chemicals
15
With full pages
3
Scaffold SMILES

C=C1C=CCCC1OC1CCCCO1

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=C1C=CCCC1OC1CCCCO1

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 15 of 15 chemicals

2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO7
2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
C14H19NO7
Menisdaurine chemical structure, C14H19NO7
Menisdaurine
C14H19NO7
2-[4,5-Dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO8
2-[4,5-Dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
C14H19NO8
Menisdaurin chemical structure, C14H19NO7
Menisdaurin
C14H19NO7
(2E)-2-[4,5-Dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO8
(2E)-2-[4,5-Dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
C14H19NO8
(2E)-2-[4-Hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO7
(2E)-2-[4-Hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
C14H19NO7
(2Z)-2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO7, CAS 67765-58-6
(2Z)-2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
CAS 67765-58-6C14H19NO7
Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)- chemical structure, C14H19NO8, CAS 72523-59-2
Acetonitrile, ((4S,5S,6S)-6-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene)-, (2Z)-
CAS 72523-59-2C14H19NO8
Bauhinin chemical structure, C15H21NO8, CAS 100757-58-2
Bauhinin
CAS 100757-58-2C15H21NO8
Lithospermoside chemical structure, C14H19NO8, CAS 63492-69-3
Lithospermoside
CAS 63492-69-3C14H19NO8
Purshianin chemical structure, C14H19NO7, CAS 162990-70-7
Purshianin
CAS 162990-70-7C14H19NO7
5-Epilithospermoside chemical structure, C14H19NO8, CAS 84799-31-5
5-Epilithospermoside
CAS 84799-31-5C14H19NO8
2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO7
2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
C14H19NO7
(2E)-2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO7
(2E)-2-[(4S,6R)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
C14H19NO7
2-[(4S,6S)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile chemical structure, C14H19NO7
2-[(4S,6S)-4-Hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
C14H19NO7