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Murcko scaffold

Ring system with 3 rings and 21 atoms

13 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 21
Chemicals: 13
With full pages: 1

Scaffold SMILES

O=C(c1ccccc1)c1ccccc1OC1CCCCO1

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=C(c1ccccc1)c1ccccc1OC1CCCCO1

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 13 of 13 chemicals

Methanone, (2-methylphenyl)(5-methyl-2-(beta-D-xylopyranosyloxy)phenyl)- chemical structure, C20H22O6, CAS 83355-19-5

Methanone, (2-methylphenyl)(5-methyl-2-(beta-D-xylopyranosyloxy)phenyl)-

CAS 83355-19-5C₂₀H₂₂O₆

Garcimangosone D chemical structure, C19H20O9, CAS 356055-68-0

Garcimangosone D

CAS 356055-68-0C₁₉H₂₀O₉

Iriflophenone 2-O-rhamnoside chemical structure, C19H20O9, CAS 943989-68-2

Iriflophenone 2-O-rhamnoside

CAS 943989-68-2C₁₉H₂₀O₉

Petiolin F chemical structure, C19H20O10, CAS 1204251-10-4

CAS 1204251-10-4C₁₉H₂₀O₁₀

Petiolin G chemical structure, C21H22O11, CAS 1204251-11-5

CAS 1204251-11-5C₂₁H₂₂O₁₁

[2,4-Dihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-(4-hydroxyphenyl)methanone chemical structure, C19H20O9

[2,4-Dihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-(4-hydroxyphenyl)methanone

C₁₉H₂₀O₉

Hypericophenonoside chemical structure, C19H20O11, CAS 366493-03-0

Hypericophenonoside

CAS 366493-03-0C₁₉H₂₀O₁₁

Rhodanthenone B chemical structure, C19H20O11, CAS 1346648-38-1

Rhodanthenone B

CAS 1346648-38-1C₁₉H₂₀O₁₁

[2,4-Dihydroxy-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone chemical structure, C19H20O9

[2,4-Dihydroxy-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone

C₁₉H₂₀O₉

Cassiaphenone B 2-glucoside chemical structure, C21H20O13, CAS 452306-60-4

Cassiaphenone B 2-glucoside

CAS 452306-60-4C₂₁H₂₀O₁₃

Cassiaphenone A 2-glucoside chemical structure, C21H22O12, CAS 452306-59-1

Cassiaphenone A 2-glucoside

CAS 452306-59-1C₂₁H₂₂O₁₂

Hyperwightin D chemical structure, C22H24O11, CAS 2374723-88-1

CAS 2374723-88-1C₂₂H₂₄O₁₁

Hyperwightin C chemical structure, C20H22O10, CAS 2374723-87-0

CAS 2374723-87-0C₂₀H₂₂O₁₀