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Murcko scaffold

Ring system with 6 rings and 25 atoms

7 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
25
Chemicals
7
With full pages
1
Scaffold SMILES

C1=CC2C3Cc4ccc(OC5CCCCO5)c5c4C2(CCN3)C(C1)O5

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 C1=CC2C3Cc4ccc(OC5CCCCO5)c5c4C2(CCN3)C(C1)O5

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 7 of 7 chemicals

Normorphine-3-glucuronide chemical structure, C22H25NO9, CAS 67583-64-6
Normorphine-3-glucuronide
CAS 67583-64-6C22H25NO9
(-)-Morphine 3-glucuronide chemical structure, C23H27NO9, CAS 20290-09-9
(-)-Morphine 3-glucuronide
CAS 20290-09-9C23H27NO9
(5alpha,6alpha)-6-(Acetyloxy)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl beta-D-glucopyranosiduronic acid chemical structure, C25H29NO10, CAS 62299-26-7
(5alpha,6alpha)-6-(Acetyloxy)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl beta-D-glucopyranosiduronic acid
CAS 62299-26-7C25H29NO10
Morphine 3-(Tri-O-acetyl-b-D-glucuronide) Methyl Ester chemical structure, C30H35NO12, CAS 151250-15-6
Morphine 3-(Tri-O-acetyl-b-D-glucuronide) Methyl Ester
CAS 151250-15-6C30H35NO12
Morphine 3-acetate 6-b-D-glucuronide 2,3,4-triacetate methyl ester chemical structure, C32H37NO13, CAS 20736-12-3
Morphine 3-acetate 6-b-D-glucuronide 2,3,4-triacetate methyl ester
CAS 20736-12-3C32H37NO13
Morphine-3-Beta-D-glucuronide-D3 chemical structure, C23H27NO9, CAS 136765-44-1
Morphine-3-Beta-D-glucuronide-D3
CAS 136765-44-1C23H27NO9
(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-Hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, hydrate chemical structure, C23H29NO10
(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-Hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, hydrate
C23H29NO10