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Murcko scaffold

Ring system with 5 rings and 30 atoms

25 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
25
With full pages
2
Scaffold SMILES

O=c1cc(-c2ccccc2)oc2c(C3OCCCC3OC3CCCCO3)cccc12

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=c1cc(-c2ccccc2)oc2c(C3OCCCC3OC3CCCCO3)cccc12

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 25 of 25 chemicals

Sophoraflavone A chemical structure, C27H30O13, CAS 105594-08-9
Sophoraflavone A
CAS 105594-08-9C27H30O13
Isoswertisin 2''-alpha-L-rhamnoside chemical structure, C28H32O14, CAS 64821-00-7
Isoswertisin 2''-alpha-L-rhamnoside
CAS 64821-00-7C28H32O14
Vitexin 2''-O-beta-D-glucoside chemical structure, C27H30O15, CAS 61360-94-9
Vitexin 2''-O-beta-D-glucoside
CAS 61360-94-9C27H30O15
Vitexin 2''-O-rhamnoside chemical structure, C27H30O14, CAS 64820-99-1
Vitexin 2''-O-rhamnoside
CAS 64820-99-1C27H30O14
Isospinosin chemical structure, C28H32O15, CAS 89701-83-7
Isospinosin
CAS 89701-83-7C28H32O15
2''-O-beta-L-Galactopyranosylorientin chemical structure, C27H30O16, CAS 861691-37-4
2''-O-beta-L-Galactopyranosylorientin
CAS 861691-37-4C27H30O16
Adonivernith chemical structure, C26H28O15, CAS 11003-05-7
Adonivernith
CAS 11003-05-7C26H28O15
Orientin 2''-O-rhamnoside chemical structure, C27H30O15, CAS 81398-30-3
Orientin 2''-O-rhamnoside
CAS 81398-30-3C27H30O15
Vitexin 2''-O-(4'''-O-acetyl)rhamnoside chemical structure, C29H32O15, CAS 80537-98-0
Vitexin 2''-O-(4'''-O-acetyl)rhamnoside
CAS 80537-98-0C29H32O15
Orientin 2''-O-beta-arabinopyranoside chemical structure, C26H28O15, CAS 157530-32-0
Orientin 2''-O-beta-arabinopyranoside
CAS 157530-32-0C26H28O15
Flavocannabiside chemical structure, C27H30O16, CAS 64661-76-3
Flavocannabiside
CAS 64661-76-3C27H30O16
2''-O-beta-L-Galactopyranosylorientin chemical structure, C27H30O16
2''-O-beta-L-Galactopyranosylorientin
C27H30O16
Scoparin 2''-O-rhamnoside chemical structure, C28H32O15, CAS 87454-40-8
Scoparin 2''-O-rhamnoside
CAS 87454-40-8C28H32O15
Acacetin-8-C-neohesperidoside chemical structure, C28H32O14, CAS 64271-10-9
Acacetin-8-C-neohesperidoside
CAS 64271-10-9C28H32O14
2"-O-beta-L-galactopyranosylorientin chemical structure, C27H30O16
2"-O-beta-L-galactopyranosylorientin
C27H30O16
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)-4H-1-benzopyran-4-one chemical structure, C27H30O15, CAS 124934-30-1
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)-4H-1-benzopyran-4-one
CAS 124934-30-1C27H30O15
7,4'-Di-O-methylvitexin 2''-O-rhamnoside chemical structure, C29H34O14, CAS 1236226-98-4
7,4'-Di-O-methylvitexin 2''-O-rhamnoside
CAS 1236226-98-4C29H34O14
2"-O-beta-L-galactopyranosylorientin chemical structure, C27H30O16
2"-O-beta-L-galactopyranosylorientin
C27H30O16
8-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one chemical structure, C28H32O15, CAS 98891-92-0
8-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS 98891-92-0C28H32O15
8-[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one chemical structure, C27H30O16, CAS 182062-20-0
8-[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
CAS 182062-20-0C27H30O16
8-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one chemical structure, C28H32O16, CAS 124902-15-4
8-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS 124902-15-4C28H32O16
2-O-beta-L-Galactopyranosylorientin chemical structure, C27H30O16
2-O-beta-L-Galactopyranosylorientin
C27H30O16
8-[(2S,3S,4R,5S,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one chemical structure, C27H30O16
8-[(2S,3S,4R,5S,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
C27H30O16
8-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one chemical structure, C27H30O16
8-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
C27H30O16