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Murcko scaffold

Neoflavan scaffold

31 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
31
With full pages
4
Scaffold SMILES

c1ccc(C2CCOc3ccccc32)cc1

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 scaffoldOpen the Neoflavan page
Murcko scaffold c1ccc(C2CCOc3ccccc32)cc1

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 31 of 31 chemicals

Brl 16644 chemical structure, C22H27ClF3NO2, CAS 59257-18-0
Brl 16644
CAS 59257-18-0C22H27ClF3NO2
BRL-16644 free base chemical structure, C22H26F3NO2, CAS 65512-99-4
BRL-16644 free base
CAS 65512-99-4C22H26F3NO2
Brl 16657 chemical structure, C22H27ClF3NO2, CAS 59257-24-8
Brl 16657
CAS 59257-24-8C22H27ClF3NO2
2-((3,4-Dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine chemical structure, C22H26F3NO2, CAS 147241-80-3
2-((3,4-Dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine
CAS 147241-80-3C22H26F3NO2
4-(4'-Hydroxyphenyl)-2,2,4-trimethylchroman chemical structure, C18H20O2, CAS 472-41-3
4-(4'-Hydroxyphenyl)-2,2,4-trimethylchroman
CAS 472-41-3C18H20O2
Phenol, 2-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)- chemical structure, C18H20O2, CAS 116996-10-2
Phenol, 2-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
CAS 116996-10-2C18H20O2
R-Dianin's compound chemical structure, C18H20O2, CAS 64681-48-7
R-Dianin's compound
CAS 64681-48-7C18H20O2
5K7Ulq8vdh chemical structure, C18H20O2, CAS 56954-96-2
5K7Ulq8vdh
CAS 56954-96-2C18H20O2
Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester chemical structure, C24H26O7, CAS 331269-94-4
Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester
CAS 331269-94-4C24H26O7
2-Propanol, 1-(dimethylamino)-3-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride chemical structure, C22H30ClNO3, CAS 62071-44-7
2-Propanol, 1-(dimethylamino)-3-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride
CAS 62071-44-7C22H30ClNO3
2-Propanol, 1-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-3-((1-methylethyl)amino)-, hydrochloride chemical structure, C23H32ClNO3, CAS 62071-45-8
2-Propanol, 1-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-3-((1-methylethyl)amino)-, hydrochloride
CAS 62071-45-8C23H32ClNO3
2-Propanol, 1-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-3-(methylamino)-,hydrochloride chemical structure, C21H28ClNO3, CAS 62071-46-9
2-Propanol, 1-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-3-(methylamino)-,hydrochloride
CAS 62071-46-9C21H28ClNO3
1-((3,4-Dihydro-2,2-dimethyl-4-phenyl-2H-1-benzopyran-7-yl)oxy)-3-(methylamino)-2-propanol chemical structure, C21H27NO3, CAS 147241-82-5
1-((3,4-Dihydro-2,2-dimethyl-4-phenyl-2H-1-benzopyran-7-yl)oxy)-3-(methylamino)-2-propanol
CAS 147241-82-5C21H27NO3
2-Propanol, 1-(dimethylamino)-3-((2,2-dimethyl-4-(3-(trifluoromethyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride chemical structure, C23H29ClF3NO3, CAS 62071-55-0
2-Propanol, 1-(dimethylamino)-3-((2,2-dimethyl-4-(3-(trifluoromethyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride
CAS 62071-55-0C23H29ClF3NO3
2-Propanol, 1-(dimethylamino)-3-((2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride chemical structure, C23H29ClF3NO3, CAS 62071-69-6
2-Propanol, 1-(dimethylamino)-3-((2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride
CAS 62071-69-6C23H29ClF3NO3
2-Propanol, 1-(diethylamino)-3-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride chemical structure, C24H34ClNO3, CAS 69816-25-7
2-Propanol, 1-(diethylamino)-3-((2,2-dimethyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)-, hydrochloride
CAS 69816-25-7C24H34ClNO3
2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine chemical structure, C21H24F3NO2, CAS 147241-85-8
2-((3,4-Dihydro-2-methyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl ethanamine
CAS 147241-85-8C21H24F3NO2
4-Phenylchroman-4-ol chemical structure, C15H14O2, CAS 94052-00-3
4-Phenylchroman-4-ol
CAS 94052-00-3C15H14O2
Neoflavan chemical structure, C15H14O, CAS 21763-04-2
Neoflavan
CAS 21763-04-2C15H14O
2-((3,4-Dihydro-2,2-dimethyl-4-phenyl-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine chemical structure, C21H27NO2, CAS 147241-81-4
2-((3,4-Dihydro-2,2-dimethyl-4-phenyl-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine
CAS 147241-81-4C21H27NO2
(4R)-Methyl 2-hydroxy-4-phenylchroman-6-carboxylate chemical structure, C17H16O4, CAS 380636-46-4
(4R)-Methyl 2-hydroxy-4-phenylchroman-6-carboxylate
CAS 380636-46-4C17H16O4
6-Methyl-4-phenyl-2-chromanol chemical structure, C16H16O2, CAS 209747-04-6
6-Methyl-4-phenyl-2-chromanol
CAS 209747-04-6C16H16O2
2H-1-Benzopyran, 3,4-dihydro-4-(4-methoxyphenyl)- chemical structure, C16H16O2, CAS 113386-18-8
2H-1-Benzopyran, 3,4-dihydro-4-(4-methoxyphenyl)-
CAS 113386-18-8C16H16O2
4-(7-Hydroxy-2,2,4-trimethyl-chroman-4-yl)benzene-1,3-diol chemical structure, C18H20O4, CAS 35129-48-7
4-(7-Hydroxy-2,2,4-trimethyl-chroman-4-yl)benzene-1,3-diol
CAS 35129-48-7C18H20O4