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Murcko scaffold

Ring system with 3 rings and 29 atoms

41 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 29
Chemicals: 41
With full pages: 15

Scaffold SMILES

O=C1OCC=C1CCCCCCCCCCCCCC1CCC(C2CCCO2)O1

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=C1OCC=C1CCCCCCCCCCCCCC1CCC(C2CCCO2)O1

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 41 of 41 chemicals

Desacetyluvaricin chemical structure, C37H66O6, CAS 98767-45-4

Desacetyluvaricin

CAS 98767-45-4C₃₇H₆₆O₆

4-Hydroxy-25-desoxyneorollinicin chemical structure, C37H66O7, CAS 123805-39-0

4-Hydroxy-25-desoxyneorollinicin

CAS 123805-39-0C₃₇H₆₆O₇

Asiminacin chemical structure, C37H66O7, CAS 156199-51-8

CAS 156199-51-8C₃₇H₆₆O₇

3-{13-[5'-(1,5-Dihydroxyundecyl)[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl}-5-methylfuran-2(5H)-one chemical structure, C37H66O7, CAS 129214-51-3

3-{13-[5'-(1,5-Dihydroxyundecyl)[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl}-5-methylfuran-2(5H)-one

CAS 129214-51-3C₃₇H₆₆O₇

2(5H)-Furanone, 3-(12,13-dihydroxy-13-(octahydro-5'-(1-hydroxyundecyl)(2,2'-bifuran)-5-yl)tridecyl)-5-methyl- chemical structure, C37H66O7, CAS 105072-16-0

2(5H)-Furanone, 3-(12,13-dihydroxy-13-(octahydro-5'-(1-hydroxyundecyl)(2,2'-bifuran)-5-yl)tridecyl)-5-methyl-

CAS 105072-16-0C₃₇H₆₆O₇

Rollinicin chemical structure, C37H66O7, CAS 93303-16-3

CAS 93303-16-3C₃₇H₆₆O₇

Squamocin chemical structure, C37H66O7, CAS 120298-30-8

CAS 120298-30-8C₃₇H₆₆O₇

2(5H)-Furanone, 3-((13R)-13-((2R,2'R,5R,5'R)-5'-((1S)-1-(acetyloxy)undecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, (5S)- chemical structure, C39H68O7, CAS 82064-83-3

2(5H)-Furanone, 3-((13R)-13-((2R,2'R,5R,5'R)-5'-((1S)-1-(acetyloxy)undecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, (5S)-

CAS 82064-83-3C₃₉H₆₈O₇

Annonin VI chemical structure, C37H66O7, CAS 102713-74-6

CAS 102713-74-6C₃₇H₆₆O₇

Purpureacin 2 chemical structure, C37H66O8, CAS 149990-60-3

CAS 149990-60-3C₃₇H₆₆O₈

4-[13-Hydroxy-13-[5-[5-(1,5,6-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one chemical structure, C37H66O8, CAS 187523-67-7

4-[13-Hydroxy-13-[5-[5-(1,5,6-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

CAS 187523-67-7C₃₇H₆₆O₈

Narumicin I chemical structure, C37H66O7, CAS 136005-76-0

CAS 136005-76-0C₃₇H₆₆O₇

rel-Squamocin-H chemical structure, C37H66O7, CAS 102989-24-2

rel-Squamocin-H

CAS 102989-24-2C₃₇H₆₆O₇

(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one chemical structure, C37H66O7, CAS 174693-31-3

(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

CAS 174693-31-3C₃₇H₆₆O₇

Rollimusin chemical structure, C37H66O8, CAS 252210-57-4

CAS 252210-57-4C₃₇H₆₆O₈

(2S)-4-[(8R,13R)-8,13-Dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5R,6S)-1,5,6-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one chemical structure, C37H66O9, CAS 1027208-16-7

(2S)-4-[(8R,13R)-8,13-Dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5R,6S)-1,5,6-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

CAS 1027208-16-7C₃₇H₆₆O₉

(2S)-4-[(13R)-13-Hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one chemical structure, C28H48O6, CAS 474650-01-6

(2S)-4-[(13R)-13-Hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

CAS 474650-01-6C₂₈H₄₈O₆

Bullacin B chemical structure, C37H66O7, CAS 210230-74-3

CAS 210230-74-3C₃₇H₆₆O₇

(5S)-3-[(13R)-13-[(2R,2a(2)S,5R,5a(2)R)-5a(2)-[(1R,5S)-1,5-Dihydroxyundecyl]octahydro[2,2a(2)-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone chemical structure, C37H66O7, CAS 168113-64-2

(5S)-3-[(13R)-13-[(2R,2a(2)S,5R,5a(2)R)-5a(2)-[(1R,5S)-1,5-Dihydroxyundecyl]octahydro[2,2a(2)-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone

CAS 168113-64-2C₃₇H₆₆O₇

(5S)-3-((2R,13R)-2,13-Dihydroxy-13-((2R,2'S,5R,5'R)-octahydro-5'-((1R)-1-hydroxyundecyl)(2,2'-bifuran)-5-yl)tridecyl)-5-methyl-2(5H)-furanone chemical structure, C37H66O7, CAS 140224-67-5

(5S)-3-((2R,13R)-2,13-Dihydroxy-13-((2R,2'S,5R,5'R)-octahydro-5'-((1R)-1-hydroxyundecyl)(2,2'-bifuran)-5-yl)tridecyl)-5-methyl-2(5H)-furanone

CAS 140224-67-5C₃₇H₆₆O₇

Purpurenin chemical structure, C37H66O8, CAS 206057-83-2

CAS 206057-83-2C₃₇H₆₆O₈

10-Hydroxyasimicin chemical structure, C37H66O8, CAS 184240-38-8

10-Hydroxyasimicin

CAS 184240-38-8C₃₇H₆₆O₈

Asiminecin chemical structure, C37H66O7, CAS 156256-35-8

CAS 156256-35-8C₃₇H₆₆O₇

27-Hydroxybullatacin chemical structure, C37H66O8, CAS 231297-73-7

27-Hydroxybullatacin

CAS 231297-73-7C₃₇H₆₆O₈