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Murcko scaffold

Ring system with 2 rings and 11 atoms

23 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
23
With full pages
6
Scaffold SMILES

C=C1C(=O)OC2CC=CCC12

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 C=C1C(=O)OC2CC=CCC12

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 23 of 23 chemicals

(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-((1S)-4-hydroxy-1-methylbutyl)-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate chemical structure, C20H28O6, CAS 52617-35-3
(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-((1S)-4-hydroxy-1-methylbutyl)-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate
CAS 52617-35-3C20H28O6
Eriolanin chemical structure, C19H26O6, CAS 52617-36-4
Eriolanin
CAS 52617-36-4C19H26O6
Britannilactone chemical structure, C15H22O4
Britannilactone
C15H22O4
1,6-O,O-Diacetylbritannilactone chemical structure, C19H26O6, CAS 1286694-67-4
1,6-O,O-Diacetylbritannilactone
CAS 1286694-67-4C19H26O6
Methyl (4S)-4-[(3aR,7aR)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate chemical structure, C16H22O4, CAS 14271-37-5
Methyl (4S)-4-[(3aR,7aR)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate
CAS 14271-37-5C16H22O4
((4S)-4-Acetoxy-5-(5-acetoxypentan-2-yl)-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydrobenzofuran-6-yl)methyl isobutyrate chemical structure, C23H32O8, CAS 2305700-86-9
((4S)-4-Acetoxy-5-(5-acetoxypentan-2-yl)-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydrobenzofuran-6-yl)methyl isobutyrate
CAS 2305700-86-9C23H32O8
1-O-Acetyl britannilactone chemical structure, C17H24O5
1-O-Acetyl britannilactone
C17H24O5
Deacetylinulicin chemical structure, C15H22O4, CAS 33620-72-3
Deacetylinulicin
CAS 33620-72-3C15H22O4
6-O-Isobutyrylbritannilactone chemical structure, C19H28O5, CAS 1259933-02-2
6-O-Isobutyrylbritannilactone
CAS 1259933-02-2C19H28O5
6alpha-(2-methybutyryloxy)-Britannilactone chemical structure, C20H30O5, CAS 1260151-65-2
6alpha-(2-methybutyryloxy)-Britannilactone
CAS 1260151-65-2C20H30O5
Pentanoic acid, 3-methyl-, (3aR,4S,7aR)-2,3,3a,4,7,7a-hexahydro-5-[(1S)-4-hydroxy-1-methylbutyl]-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester chemical structure, C21H32O5, CAS 1260151-66-3
Pentanoic acid, 3-methyl-, (3aR,4S,7aR)-2,3,3a,4,7,7a-hexahydro-5-[(1S)-4-hydroxy-1-methylbutyl]-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester
CAS 1260151-66-3C21H32O5
Inulicin chemical structure, C17H24O5, CAS 33627-41-7
Inulicin
CAS 33627-41-7C17H24O5
1-O-Acetyl-6-O-isobutyrylbritannilactone chemical structure, C21H30O6, CAS 1613152-34-3
1-O-Acetyl-6-O-isobutyrylbritannilactone
CAS 1613152-34-3C21H30O6
ABL-L chemical structure, C29H46O6, CAS 1613152-39-8
ABL-L
CAS 1613152-39-8C29H46O6
Antifungal agent 66 chemical structure, C19H25ClO6, CAS 1613152-33-2
Antifungal agent 66
CAS 1613152-33-2C19H25ClO6
(3aS,4R,7aR)-4-Hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one chemical structure, C15H22O4
(3aS,4R,7aR)-4-Hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one
C15H22O4
1-O-Acetyl-6beta-O-Isobutyrylbritannilactone chemical structure, C21H30O6, CAS 1087072-50-1
1-O-Acetyl-6beta-O-Isobutyrylbritannilactone
CAS 1087072-50-1C21H30O6
4-[(3aS,4R,7aR)-4-Hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl acetate chemical structure, C17H24O5, CAS 681457-46-5
4-[(3aS,4R,7aR)-4-Hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl acetate
CAS 681457-46-5C17H24O5
[(3aR,4R,7aR)-5-[(2S)-5-Acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate chemical structure, C21H30O6
[(3aR,4R,7aR)-5-[(2S)-5-Acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate
C21H30O6
1-O-Acetyl-6alpha-O-(2-methylbutyryl)britannilactone chemical structure, C22H32O6, CAS 1932687-71-2
1-O-Acetyl-6alpha-O-(2-methylbutyryl)britannilactone
CAS 1932687-71-2C22H32O6
[5-(5-Acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate chemical structure, C21H30O6
[5-(5-Acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate
C21H30O6
(3aR,4S,7aS)-4-Hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one chemical structure, C15H22O4
(3aR,4S,7aS)-4-Hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one
C15H22O4
Tlr4/NF-|EB/mapk-IN-1 chemical structure, C19H25BrO6, CAS 2767567-26-8
Tlr4/NF-|EB/mapk-IN-1
CAS 2767567-26-8C19H25BrO6