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Murcko scaffold

Ring system with 6 rings and 25 atoms

21 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
25
Chemicals
21
With full pages
2
Scaffold SMILES

C1=CC2C3Cc4cccc5c4C2(CCN3)C(O5)C1OC1CCCCO1

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=CC2C3Cc4cccc5c4C2(CCN3)C(O5)C1OC1CCCCO1

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 21 of 21 chemicals

beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-yl chemical structure, C23H27NO9, CAS 50444-03-6
beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-yl
CAS 50444-03-6C23H27NO9
Morphine 6-glucuronide chemical structure, C23H27NO9, CAS 20290-10-2
Morphine 6-glucuronide
CAS 20290-10-2C23H27NO9
Codeine-6-glucuronide chemical structure, C24H29NO9, CAS 20736-11-2
Codeine-6-glucuronide
CAS 20736-11-2C24H29NO9
Normorphine-6-glucuronide chemical structure, C22H25NO9, CAS 65060-95-9
Normorphine-6-glucuronide
CAS 65060-95-9C22H25NO9
Codeine b-D-glucuronide triacetate methyl ester-d3 chemical structure, C31H37NO12, CAS 224966-47-6
Codeine b-D-glucuronide triacetate methyl ester-d3
CAS 224966-47-6C31H37NO12
I(2)-D-Glucopyranosiduronic acid, (5I+/-,6I+/-)-3-(acetyloxy)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-6-yl, methyl ester, 2,3,4-tris(2-methylpropanoate) chemical structure, C38H49NO13, CAS 150607-97-9
I(2)-D-Glucopyranosiduronic acid, (5I+/-,6I+/-)-3-(acetyloxy)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-6-yl, methyl ester, 2,3,4-tris(2-methylpropanoate)
CAS 150607-97-9C38H49NO13
Ethyl morphine 6-b-D-glucuronide chemical structure, C25H31NO9
Ethyl morphine 6-b-D-glucuronide
C25H31NO9
Morphine glucopyranuronide chemical structure, C23H27NO9, CAS 33086-26-9
Morphine glucopyranuronide
CAS 33086-26-9C23H27NO9
Sodium (5alpha,6alpha,9alpha)-3-methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (3xi)-beta-D-ribo-hexopyranosiduronate chemical structure, C24H28NNaO9, CAS 219533-59-2
Sodium (5alpha,6alpha,9alpha)-3-methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (3xi)-beta-D-ribo-hexopyranosiduronate
CAS 219533-59-2C24H28NNaO9
Codeine b-D-glucuronide triacetate methyl ester chemical structure, C31H37NO12, CAS 20736-10-1
Codeine b-D-glucuronide triacetate methyl ester
CAS 20736-10-1C31H37NO12
Ethyl morphine 6-I(2)-D-glucuronide chemical structure, C25H31NO9, CAS 168074-32-6
Ethyl morphine 6-I(2)-D-glucuronide
CAS 168074-32-6C25H31NO9
Morphine-d3 6-?-D-glucuronide chemical structure, C23H27NO9
Morphine-d3 6-?-D-glucuronide
C23H27NO9
Norcodeine O-beta-D-glucuronid chemical structure, C23H27NO9
Norcodeine O-beta-D-glucuronid
C23H27NO9
Ethylmorphine 6-b-D-glucuronide chemical structure, C25H31NO9
Ethylmorphine 6-b-D-glucuronide
C25H31NO9
Morphine-6-Beta-D-glucuronide-D3 chemical structure, C23H27NO9, CAS 219533-69-4
Morphine-6-Beta-D-glucuronide-D3
CAS 219533-69-4C23H27NO9
Codeine-d3 6-?-D-glucuronide sodium salt chemical structure, C24H28NNaO9
Codeine-d3 6-?-D-glucuronide sodium salt
C24H28NNaO9
(3S,6R)-6-[[(4R,4aR,7R,7aS,12bS)-9-Hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid chemical structure, C23H27NO9
(3S,6R)-6-[[(4R,4aR,7R,7aS,12bS)-9-Hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
C23H27NO9
Ethyl morphine 6-?-D-glucuronide chemical structure, C25H31NO9
Ethyl morphine 6-?-D-glucuronide
C25H31NO9
Codeine-d3 6-b-D-glucuronide sodium salt chemical structure, C24H28NNaO9, CAS 1426174-04-0
Codeine-d3 6-b-D-glucuronide sodium salt
CAS 1426174-04-0C24H28NNaO9
Ethyl Morphine 6-(Tri-O-acetylglucuronide Methyl Ester) chemical structure, C32H39NO12, CAS 168074-31-5
Ethyl Morphine 6-(Tri-O-acetylglucuronide Methyl Ester)
CAS 168074-31-5C32H39NO12
Morphine 6-D-glucuronide-D3 chemical structure, C23H27NO9
Morphine 6-D-glucuronide-D3
C23H27NO9