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Murcko scaffold

Ring system with 3 rings and 21 atoms

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
18
With full pages
6
Scaffold SMILES

C(=Cc1ccc(OC2CCCCO2)cc1)c1ccccc1

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(=Cc1ccc(OC2CCCCO2)cc1)c1ccccc1

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 18 of 18 chemicals

(2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid chemical structure, C20H20O9, CAS 387372-20-5
(2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS 387372-20-5C20H20O9
Resveratroloside chemical structure, C20H22O8, CAS 38963-95-0
Resveratroloside
CAS 38963-95-0C20H22O8
Piceatannol 4'-O-glucoside chemical structure, C20H22O9, CAS 116181-54-5
Piceatannol 4'-O-glucoside
CAS 116181-54-5C20H22O9
Diethylstilbestrol monoglucuronide chemical structure, C24H28O8, CAS 2408-40-4
Diethylstilbestrol monoglucuronide
CAS 2408-40-4C24H28O8
Gnetifolin E chemical structure, C21H24O9, CAS 140671-07-4
Gnetifolin E
CAS 140671-07-4C21H24O9
Pinostilbenoside chemical structure, C21H24O8, CAS 58762-96-2
Pinostilbenoside
CAS 58762-96-2C21H24O8
(2S,3R,4S,5S,6R)-2-(4-((E)-3,5-Dimethoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol chemical structure, C22H26O8, CAS 38967-99-6
(2S,3R,4S,5S,6R)-2-(4-((E)-3,5-Dimethoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CAS 38967-99-6C22H26O8
2-[4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenoxy]tetrahydro-2H-pyran chemical structure, C21H24O4, CAS 1257314-98-9
2-[4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenoxy]tetrahydro-2H-pyran
CAS 1257314-98-9C21H24O4
Acetyldiethylstilbestrol 2,3,4-tri-O-acetyl-B-D-glucuronide methyl ester chemical structure, C33H38O12, CAS 40269-22-5
Acetyldiethylstilbestrol 2,3,4-tri-O-acetyl-B-D-glucuronide methyl ester
CAS 40269-22-5C33H38O12
cis-Resveratrol 4'-O-glucuronide chemical structure, C20H20O9, CAS 387372-26-1
cis-Resveratrol 4'-O-glucuronide
CAS 387372-26-1C20H20O9
4-{(E)-2-[3,5-Bis(acetyloxy)phenyl]ethenyl}phenyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate chemical structure, C31H32O14, CAS 490028-19-8
4-{(E)-2-[3,5-Bis(acetyloxy)phenyl]ethenyl}phenyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate
CAS 490028-19-8C31H32O14
2-[4-[2-(3,5-Dimethoxyphenyl)ethenyl]phenoxy]tetrahydro-2H-pyran chemical structure, C21H24O4, CAS 1206636-91-0
2-[4-[2-(3,5-Dimethoxyphenyl)ethenyl]phenoxy]tetrahydro-2H-pyran
CAS 1206636-91-0C21H24O4
Diethylstilbestrol monoglucuronide, (Z)- chemical structure, C24H28O8, CAS 69684-32-8
Diethylstilbestrol monoglucuronide, (Z)-
CAS 69684-32-8C24H28O8
(3R,6R)-3,4,5-Trihydroxy-6-[4-[(E)-2-(3-hydroxy-5-sulfooxyphenyl)ethenyl]phenoxy]oxane-2-carboxylic acid chemical structure, C20H20O12S, CAS 1028964-64-8
(3R,6R)-3,4,5-Trihydroxy-6-[4-[(E)-2-(3-hydroxy-5-sulfooxyphenyl)ethenyl]phenoxy]oxane-2-carboxylic acid
CAS 1028964-64-8C20H20O12S
Resveratrol-4-O-D-glucuronide D4 chemical structure, C20H20O9, CAS 1420291-58-2
Resveratrol-4-O-D-glucuronide D4
CAS 1420291-58-2C20H20O9
Oxyresveratrol 4'-O-beta-D-glucopyranoside chemical structure, C20H22O9, CAS 863329-68-4
Oxyresveratrol 4'-O-beta-D-glucopyranoside
CAS 863329-68-4C20H22O9
(2S,3R,4S,5S,6R)-2-(4-(3,5-Dimethoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol chemical structure, C22H26O8, CAS 50450-35-6
(2S,3R,4S,5S,6R)-2-(4-(3,5-Dimethoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CAS 50450-35-6C22H26O8
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-(3,5-Dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C20H22O9, CAS 863329-67-3
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-(3,5-Dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS 863329-67-3C20H22O9