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Murcko scaffold

Ring system with 5 rings and 24 atoms

17 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 24
Chemicals: 17
With full pages: 10

Scaffold SMILES

O=C1c2ccccc2C(=O)c2cc3c(cc21)CCc1ccccc1-3

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=C1c2ccccc2C(=O)c2cc3c(cc21)CCc1ccccc1-3

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 17 of 17 chemicals

Pradimicin Q chemical structure, C24H16O10, CAS 141869-53-6

CAS 141869-53-6C₂₄H₁₆O₁₀

11-O-Demethylpradinone I chemical structure, C24H16O10, CAS 132971-63-2

11-O-Demethylpradinone I

CAS 132971-63-2C₂₄H₁₆O₁₀

Pradimicin N chemical structure, C29H25NO12, CAS 129051-64-5

CAS 129051-64-5C₂₉H₂₅NO₁₂

Pradimicin O chemical structure, C29H25NO11, CAS 132971-64-3

CAS 132971-64-3C₂₉H₂₅NO₁₁

1,7,9,11-Tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid chemical structure, C26H18O9, CAS 103370-21-4

1,7,9,11-Tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid

CAS 103370-21-4C₂₆H₁₈O₉

Pradimicin P chemical structure, C27H21NO12, CAS 132971-65-4

CAS 132971-65-4C₂₇H₂₁NO₁₂

WS 79089B chemical structure, C27H22O10, CAS 157110-24-2

CAS 157110-24-2C₂₇H₂₂O₁₀

1,7,9,11-Tetrahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo(a)tetracene-2-carboxylic acid chemical structure, C24H16O8, CAS 94129-75-6

1,7,9,11-Tetrahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo(a)tetracene-2-carboxylic acid

CAS 94129-75-6C₂₄H₁₆O₈

Benzo(a)naphthacene-8,13-dione, 5,6-dihydro-1,7,9,11-tetrahydroxy-3-methyl- chemical structure, C23H16O6, CAS 94129-85-8

Benzo(a)naphthacene-8,13-dione, 5,6-dihydro-1,7,9,11-tetrahydroxy-3-methyl-

CAS 94129-85-8C₂₃H₁₆O₆

Bequinostatin A chemical structure, C28H24O9, CAS 151013-37-5

Bequinostatin A

CAS 151013-37-5C₂₈H₂₄O₉

Bequinostatin B chemical structure, C27H24O7, CAS 151013-38-6

Bequinostatin B

CAS 151013-38-6C₂₇H₂₄O₇

11-O-Demethylpradinone II chemical structure, C24H16O11, CAS 147810-02-4

11-O-Demethylpradinone II

CAS 147810-02-4C₂₄H₁₆O₁₁

Pradimicinone I chemical structure, C28H23NO11, CAS 116276-03-0

Pradimicinone I

CAS 116276-03-0C₂₈H₂₃NO₁₁

(2R)-3-Hydroxy-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid chemical structure, C28H23NO12, CAS 150134-47-7

(2R)-3-Hydroxy-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

CAS 150134-47-7C₂₈H₂₃NO₁₂

Agn-PC-0jrap3 chemical structure, C28H23NO12, CAS 6917-97-1

CAS 6917-97-1C₂₈H₂₃NO₁₂

Fredericamycin C chemical structure, C31H24O11, CAS 80450-65-3

Fredericamycin C

CAS 80450-65-3C₃₁H₂₄O₁₁

Buanquinone chemical structure, C25H18O7, CAS 1643121-43-0

CAS 1643121-43-0C₂₅H₁₈O₇