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Murcko scaffold

Ring system with 4 rings and 17 atoms

22 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 17
Chemicals: 22
With full pages: 2

Scaffold SMILES

c1cc2c(o1)CC1C(CCC3CCCCC31)C2

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 c1cc2c(o1)CC1C(CCC3CCCCC31)C2

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 22 of 22 chemicals

Vinhaticyl acetate chemical structure, C22H32O3, CAS 83807-70-9

Vinhaticyl acetate

CAS 83807-70-9C₂₂H₃₂O₃

(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro(3,2-b)furan-7-carboxylic acid chemical structure, C20H28O5, CAS 40819-81-6

(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro(3,2-b)furan-7-carboxylic acid

CAS 40819-81-6C₂₀H₂₈O₅

4,4,7,11b-Tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5,6-diol chemical structure, C20H30O3, CAS 40776-52-1

4,4,7,11b-Tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5,6-diol

CAS 40776-52-1C₂₀H₃₀O₃

Caesalmin D chemical structure, C26H36O9, CAS 374907-45-6

CAS 374907-45-6C₂₆H₃₆O₉

Caesalmin E chemical structure, C26H36O9, CAS 204185-91-1

CAS 204185-91-1C₂₆H₃₆O₉

Bonducellpin C chemical structure, C23H32O7, CAS 197781-84-3

CAS 197781-84-3C₂₃H₃₂O₇

Acetoxybonducellpin C chemical structure, C25H34O8, CAS 197781-86-5

Acetoxybonducellpin C

CAS 197781-86-5C₂₅H₃₄O₈

Caesalpinin E chemical structure, C25H34O8, CAS 817167-40-1

CAS 817167-40-1C₂₅H₃₄O₈

delta-Caesalpin chemical structure, C20H30O6, CAS 7716-14-5

delta-Caesalpin

CAS 7716-14-5C₂₀H₃₀O₆

Caesalpinin N chemical structure, C23H32O6, CAS 853302-55-3

CAS 853302-55-3C₂₃H₃₂O₆

Sucutinirane E chemical structure, C22H32O4, CAS 40776-53-2

CAS 40776-53-2C₂₂H₃₂O₄

Sucutinirane F chemical structure, C22H32O4, CAS 40776-54-3

CAS 40776-54-3C₂₂H₃₂O₄

Caesalmin F chemical structure, C27H38O9, CAS 374907-46-7

CAS 374907-46-7C₂₇H₃₈O₉

4,4,7,11b-Tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-3,4a,6-triol chemical structure, C20H30O4, CAS 28296-70-0

4,4,7,11b-Tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-3,4a,6-triol

CAS 28296-70-0C₂₀H₃₀O₄

Deoxycaesaldekarin C chemical structure, C21H30O3, CAS 4614-50-0

Deoxycaesaldekarin C

CAS 4614-50-0C₂₁H₃₀O₃

14-Deoxy-epsilon-caesalpin chemical structure, C24H34O6, CAS 279683-46-4

14-Deoxy-epsilon-caesalpin

CAS 279683-46-4C₂₄H₃₄O₆

Caesalpine A chemical structure, C23H32O7, CAS 1616757-59-5

CAS 1616757-59-5C₂₃H₃₂O₇

Caesalmin K chemical structure, C23H32O8, CAS 1809170-74-8

CAS 1809170-74-8C₂₃H₃₂O₈

4-Methyl (4R,4aS,6aS,7R,11aS,11bS)-2,3,4,4a,5,6,6a,7,11,11a-decahydro-4,7-dimethylphenanthro[3,2-b]furan-4,11b(1H)-dicarboxylate chemical structure, C21H28O5, CAS 144161-80-8

4-Methyl (4R,4aS,6aS,7R,11aS,11bS)-2,3,4,4a,5,6,6a,7,11,11a-decahydro-4,7-dimethylphenanthro[3,2-b]furan-4,11b(1H)-dicarboxylate

CAS 144161-80-8C₂₁H₂₈O₅

[(1S,2R,4aS,6aR,7S,11aR,11bR)-1-Acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate chemical structure, C24H34O6

[(1S,2R,4aS,6aR,7S,11aR,11bR)-1-Acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate

C₂₄H₃₄O₆

(1-Acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl) acetate chemical structure, C24H34O6

(1-Acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl) acetate

C₂₄H₃₄O₆

(4S,4aR,6aS,7R,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-4,7,11b-trimethylphenanthro[3,2-b]furan-4-methanol chemical structure, C20H30O2, CAS 472-32-2

(4S,4aR,6aS,7R,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-4,7,11b-trimethylphenanthro[3,2-b]furan-4-methanol

CAS 472-32-2C₂₀H₃₀O₂