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Murcko scaffold

Ring system with 8 rings and 45 atoms

19 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
45
Chemicals
19
With full pages
3
Scaffold SMILES

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCC(COC7CCCCO7)O6)CO5)CC4CCC23)CO1

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=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCC(COC7CCCCO7)O6)CO5)CC4CCC23)CO1

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 19 of 19 chemicals

Acetylthevetin B chemical structure, C44H68O19, CAS 82145-55-9
Acetylthevetin B
CAS 82145-55-9C44H68O19
Thevetin chemical structure, C42H66O18, CAS 11018-93-2
Thevetin
CAS 11018-93-2C42H66O18
Acovenoside C chemical structure, C42H66O19, CAS 28474-86-4
Acovenoside C
CAS 28474-86-4C42H66O19
Thevetin B chemical structure, C42H66O18, CAS 27127-79-3
Thevetin B
CAS 27127-79-3C42H66O18
Thevetin A chemical structure, C42H64O19, CAS 37933-66-7
Thevetin A
CAS 37933-66-7C42H64O19
Neogitostin, acetate chemical structure, C60H84O28, CAS 61186-33-2
Neogitostin, acetate
CAS 61186-33-2C60H84O28
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-10-(hydroxymethyl)-3-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one chemical structure, C42H66O19, CAS 37597-55-0
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-10-(hydroxymethyl)-3-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS 37597-55-0C42H66O19
Neogitostin chemical structure, C42H66O19, CAS 102280-59-1
Neogitostin
CAS 102280-59-1C42H66O19
(3I(2),5I(2))-3-[(O-I(2)-D-Glucopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a4)-2,6-dideoxy-I(2)-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide chemical structure, C41H64O17, CAS 220710-06-5
(3I(2),5I(2))-3-[(O-I(2)-D-Glucopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a4)-2,6-dideoxy-I(2)-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
CAS 220710-06-5C41H64O17
(3I(2),5I(2))-3-[(O-I(2)-D-Glucopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a4)-O-2,6-dideoxy-I(2)-D-xylo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide chemical structure, C41H64O19, CAS 210637-19-7
(3I(2),5I(2))-3-[(O-I(2)-D-Glucopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a4)-O-2,6-dideoxy-I(2)-D-xylo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
CAS 210637-19-7C41H64O19
Olitoriusin chemical structure, C41H62O19, CAS 125708-07-8
Olitoriusin
CAS 125708-07-8C41H62O19
k-Strophanthoside chemical structure, C42H64O19, CAS 33279-57-1
k-Strophanthoside
CAS 33279-57-1C42H64O19
16beta-(Acetyloxy)-3beta-[[4-O-[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]-6-deoxy-3-O-methyl-beta-D-glucop chemical structure, C44H68O20, CAS 128533-42-6
16beta-(Acetyloxy)-3beta-[[4-O-[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]-6-deoxy-3-O-methyl-beta-D-glucop
CAS 128533-42-6C44H68O20
Echujin chemical structure, C42H66O17, CAS 9007-56-1
Echujin
CAS 9007-56-1C42H66O17
Gentiobiosyloleandrin chemical structure, C44H68O19, CAS 53270-25-0
Gentiobiosyloleandrin
CAS 53270-25-0C44H68O19
Acetylthevetin A, (all O-acetyl)- chemical structure, C58H80O27, CAS 63971-10-8
Acetylthevetin A, (all O-acetyl)-
CAS 63971-10-8C58H80O27
alpha-Thevetin B chemical structure, C42H66O18, CAS 144300-21-0
alpha-Thevetin B
CAS 144300-21-0C42H66O18
Acetylthevetin A chemical structure, C44H66O20, CAS 1356494-03-5
Acetylthevetin A
CAS 1356494-03-5C44H66O20
Cannogenol 3-O-|A-gentiobiosyl-(1 inverted exclamation marku4)-|A-L-thevetoside chemical structure, C42H66O19, CAS 1841524-78-4
Cannogenol 3-O-|A-gentiobiosyl-(1 inverted exclamation marku4)-|A-L-thevetoside
CAS 1841524-78-4C42H66O19