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Murcko scaffold

Ring system with 2 rings and 9 atoms

19 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
9
Chemicals
19
With full pages
4
Scaffold SMILES

C1=CC2OCOC2CC1

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=CC2OCOC2CC1

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 19 of 19 chemicals

1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-((methylsulfonyl)oxy)-, ethyl ester, (3aR,7R,7aR)- chemical structure, C15H24O7S, CAS 204254-90-0
1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-((methylsulfonyl)oxy)-, ethyl ester, (3aR,7R,7aR)-
CAS 204254-90-0C15H24O7S
Ethyl 3,4-O-Isopropylidene-5-O-methanesulfonylshikimate chemical structure, C13H20O7S, CAS 204254-84-2
Ethyl 3,4-O-Isopropylidene-5-O-methanesulfonylshikimate
CAS 204254-84-2C13H20O7S
Methyl (3aR,7R,7aS)-3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate chemical structure, C11H16O5, CAS 88165-26-8
Methyl (3aR,7R,7aS)-3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
CAS 88165-26-8C11H16O5
3,4-(Isopropylidenedioxy) shikimic acid methyl ester acetate chemical structure, C13H18O6, CAS 143308-74-1
3,4-(Isopropylidenedioxy) shikimic acid methyl ester acetate
CAS 143308-74-1C13H18O6
490350_Aldrich chemical structure, C9H13BrO4, CAS 130669-72-6
490350_Aldrich
CAS 130669-72-6C9H13BrO4
(3aS,4R,5R,7aR)-2,2-Dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol chemical structure, C9H14O4, CAS 130669-76-0
(3aS,4R,5R,7aR)-2,2-Dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol
CAS 130669-76-0C9H14O4
2,2-Dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-5-ol chemical structure, C9H14O3, CAS 65173-67-3
2,2-Dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-5-ol
CAS 65173-67-3C9H14O3
Ethyl 3,4-O-isopropylideneshikimate chemical structure, C12H18O5, CAS 136994-78-0
Ethyl 3,4-O-isopropylideneshikimate
CAS 136994-78-0C12H18O5
(3aS,4R,5S,7aR)-4-Azido-5-fluoro-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole chemical structure, C9H12FN3O2, CAS 221682-67-3
(3aS,4R,5S,7aR)-4-Azido-5-fluoro-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole
CAS 221682-67-3C9H12FN3O2
(3aS,4R,5S,7aS)-5-Azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-ol chemical structure, C9H12BrN3O3, CAS 171916-75-9
(3aS,4R,5S,7aS)-5-Azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-ol
CAS 171916-75-9C9H12BrN3O3
Ethyl 2,2-dimethyl-7-methylsulfonyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate chemical structure, C13H20O7S
Ethyl 2,2-dimethyl-7-methylsulfonyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
C13H20O7S
3,4-o-Isopropylidene-shikimic acid chemical structure, C10H14O5, CAS 183075-03-8
3,4-o-Isopropylidene-shikimic acid
CAS 183075-03-8C10H14O5
3,4-O-(Diethylmethylidene) shikimic acid ethyl ester chemical structure, C14H22O5, CAS 943515-58-0
3,4-O-(Diethylmethylidene) shikimic acid ethyl ester
CAS 943515-58-0C14H22O5
(3aR,7R,7aR)-3a,6,7,7a-Tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-methyl ester 1,3-benzodioxole-5-carboxylic acid chemical structure, C12H18O7S, CAS 208720-46-1
(3aR,7R,7aR)-3a,6,7,7a-Tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-methyl ester 1,3-benzodioxole-5-carboxylic acid
CAS 208720-46-1C12H18O7S
3,4-O-Isopropylidene shikimic acid chemical structure, C10H14O5, CAS 90927-40-5
3,4-O-Isopropylidene shikimic acid
CAS 90927-40-5C10H14O5
Dioxolamycin chemical structure, C11H15NO6, CAS 91432-46-1
Dioxolamycin
CAS 91432-46-1C11H15NO6
[(3AS,4R,5S,7AS)-4-Acetoxy-7-bromo-2,2-dimethyl-3A,4,5,7A-tetrahydro-1,3-benzodioxol-5-yl] acetate chemical structure, C13H17BrO6, CAS 1393364-58-3
[(3AS,4R,5S,7AS)-4-Acetoxy-7-bromo-2,2-dimethyl-3A,4,5,7A-tetrahydro-1,3-benzodioxol-5-yl] acetate
CAS 1393364-58-3C13H17BrO6
3,4-O-(Diethylmethylidene) shikimic acid ethyl ester acetate chemical structure, C16H24O6, CAS 1797117-10-2
3,4-O-(Diethylmethylidene) shikimic acid ethyl ester acetate
CAS 1797117-10-2C16H24O6
3,4-O-(Diethylmethylidene)ShikimicAcidEthylEsterAcetate chemical structure, C16H24O6
3,4-O-(Diethylmethylidene)ShikimicAcidEthylEsterAcetate
C16H24O6