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Murcko scaffold

Ring system with 7 rings and 47 atoms

88 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
47
Chemicals
88
With full pages
15
Scaffold SMILES

O=C(CC(NC(=O)c1ccccc1)c1ccccc1)OC1C=C2CC(=O)C3CCC4OCC4C3C(OC(=O)c3ccccc3)C(C2)C1

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=C(CC(NC(=O)c1ccccc1)c1ccccc1)OC1C=C2CC(=O)C3CCC4OCC4C3C(OC(=O)c3ccccc3)C(C2)C1

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 48 of 88 chemicals

4,10-Bis(acetyloxy)-13-((3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate chemical structure, C47H51NO14, CAS 608129-32-4
4,10-Bis(acetyloxy)-13-((3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
CAS 608129-32-4C47H51NO14
Paclitaxel chemical structure, C47H51NO14, CAS 33069-62-4
Paclitaxel
CAS 33069-62-4C47H51NO14
7-Acetyltaxol chemical structure, C49H53NO15, CAS 92950-39-5
7-Acetyltaxol
CAS 92950-39-5C49H53NO15
2'-Acetyltaxol chemical structure, C49H53NO15, CAS 92950-40-8
2'-Acetyltaxol
CAS 92950-40-8C49H53NO15
10-Deacetyltaxol chemical structure, C45H49NO13, CAS 78432-77-6
10-Deacetyltaxol
CAS 78432-77-6C45H49NO13
4-Deacetyltaxol chemical structure, C45H49NO13, CAS 160511-46-6
4-Deacetyltaxol
CAS 160511-46-6C45H49NO13
6,3'-p-Dihydroxypaclitaxel chemical structure, C47H51NO16, CAS 157230-10-9
6,3'-p-Dihydroxypaclitaxel
CAS 157230-10-9C47H51NO16
Paclitaxel dihydrate chemical structure, C47H55NO16, CAS 197778-55-5
Paclitaxel dihydrate
CAS 197778-55-5C47H55NO16
7-Epi-taxol chemical structure, C47H51NO14, CAS 105454-04-4
7-Epi-taxol
CAS 105454-04-4C47H51NO14
Protaxel chemical structure, C51H57NO18, CAS 186040-50-6
Protaxel
CAS 186040-50-6C51H57NO18
3'-p-Hydroxypaclitaxel chemical structure, C47H51NO15, CAS 132160-32-8
3'-p-Hydroxypaclitaxel
CAS 132160-32-8C47H51NO15
3'-(4-Azidobenzamido)taxol chemical structure, C47H50N4O14, CAS 153695-19-3
3'-(4-Azidobenzamido)taxol
CAS 153695-19-3C47H50N4O14
10-Deacetyl-7-epi-taxol chemical structure, C45H49NO13, CAS 111149-94-1
10-Deacetyl-7-epi-taxol
CAS 111149-94-1C45H49NO13
Fluoropaclitaxel F-18 chemical structure, C47H50FNO14, CAS 594848-00-7
Fluoropaclitaxel F-18
CAS 594848-00-7C47H50FNO14
3'-Epi-taxol chemical structure, C47H51NO14, CAS 3062469-41-1
3'-Epi-taxol
CAS 3062469-41-1C47H51NO14
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (1,2,3,4,5,6-14C6)cyclohexatrienecarboxylate chemical structure, C47H51NO14, CAS 179795-24-5
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (1,2,3,4,5,6-14C6)cyclohexatrienecarboxylate
CAS 179795-24-5C47H51NO14
7-O-((Methylthio)methyl)paclitaxel chemical structure, C49H55NO14S, CAS 160237-25-2
7-O-((Methylthio)methyl)paclitaxel
CAS 160237-25-2C49H55NO14S
Taxoprexin chemical structure, C69H81NO15, CAS 199796-52-6
Taxoprexin
CAS 199796-52-6C69H81NO15
4-Desacetylpaclitaxel 4-methyl carbonate chemical structure, C47H51NO15, CAS 172481-83-3
4-Desacetylpaclitaxel 4-methyl carbonate
CAS 172481-83-3C47H51NO15
10-Deacetoxypaclitaxel chemical structure, C45H49NO12, CAS 148121-24-8
10-Deacetoxypaclitaxel
CAS 148121-24-8C45H49NO12
7-Hexanoyltaxol chemical structure, C53H61NO15, CAS 185681-64-5
7-Hexanoyltaxol
CAS 185681-64-5C53H61NO15
Benzenepropanoic acid, I(2)-(benzoylamino)-I+/--hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, hydrate (1:3), (I+/-R,I(2)S)- chemical structure, C47H57NO17, CAS 181140-35-2
Benzenepropanoic acid, I(2)-(benzoylamino)-I+/--hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, hydrate (1:3), (I+/-R,I(2)S)-
CAS 181140-35-2C47H57NO17
7-Deoxypaclitaxel chemical structure, C47H51NO13, CAS 149705-85-1
7-Deoxypaclitaxel
CAS 149705-85-1C47H51NO13
6-Hydroxytaxol chemical structure, C47H51NO15, CAS 153212-75-0
6-Hydroxytaxol
CAS 153212-75-0C47H51NO15