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Murcko scaffold

Ring system with 6 rings and 27 atoms

32 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
27
Chemicals
32
With full pages
8
Scaffold SMILES

O=C1C=CCC(CC2CCC3C2CCC2C3CC3OC34CC=CC(=O)C24)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=C1C=CCC(CC2CCC3C2CCC2C3CC3OC34CC=CC(=O)C24)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 32 of 32 chemicals

Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)- chemical structure, C32H42O8, CAS 22848-79-9
Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-
CAS 22848-79-9C32H42O8
4beta-Hydroxywithanolide E chemical structure, C28H38O8, CAS 54334-04-2
4beta-Hydroxywithanolide E
CAS 54334-04-2C28H38O8
Withanolide D chemical structure, C28H38O6, CAS 30655-48-2
Withanolide D
CAS 30655-48-2C28H38O6
27-Dehydrowithaferin A chemical structure, C28H36O6, CAS 109357-42-8
27-Dehydrowithaferin A
CAS 109357-42-8C28H36O6
Withaferin A chemical structure, C28H38O6, CAS 5119-48-2
Withaferin A
CAS 5119-48-2C28H38O6
27-Hydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione chemical structure, C28H38O5, CAS 5788-94-3
27-Hydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
CAS 5788-94-3C28H38O5
Withanolide E chemical structure, C28H38O7, CAS 38254-15-8
Withanolide E
CAS 38254-15-8C28H38O7
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one chemical structure, C28H38O5, CAS 27920-64-5
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
CAS 27920-64-5C28H38O5
Withaferin-A diacetate chemical structure, C32H42O8
Withaferin-A diacetate
C32H42O8
[15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate chemical structure, C30H40O8
[15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
C30H40O8
Withaferin A diacetate chemical structure, C32H42O8
Withaferin A diacetate
C32H42O8
Tubocapsanolide F chemical structure, C28H38O6, CAS 937803-37-7
Tubocapsanolide F
CAS 937803-37-7C28H38O6
Withangulatin B chemical structure, C28H38O9, CAS 946074-78-8
Withangulatin B
CAS 946074-78-8C28H38O9
[(1S,2R,6S,7R,9R,11R,12R,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate chemical structure, C30H40O8
[(1S,2R,6S,7R,9R,11R,12R,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
C30H40O8
18-Hydroxywithanolide D chemical structure, C28H38O7, CAS 296268-74-1
18-Hydroxywithanolide D
CAS 296268-74-1C28H38O7
Withacnistin chemical structure, C30H40O7, CAS 21902-99-8
Withacnistin
CAS 21902-99-8C30H40O7
Withalongolide A chemical structure, C28H38O7, CAS 1350448-42-8
Withalongolide A
CAS 1350448-42-8C28H38O7
Withalongolide B chemical structure, C28H38O6, CAS 1350448-43-9
Withalongolide B
CAS 1350448-43-9C28H38O6
Withalongolide C chemical structure, C28H38O7, CAS 1350448-44-0
Withalongolide C
CAS 1350448-44-0C28H38O7
27-O-(tert-Butyldimethylsilyl)withaferin A chemical structure, C34H52O6Si, CAS 1392820-18-6
27-O-(tert-Butyldimethylsilyl)withaferin A
CAS 1392820-18-6C34H52O6Si
[2-[(1S)-1-[(1S,2R,11S,12S,15R,16S)-2,16-Dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate chemical structure, C30H40O6, CAS 55902-88-0
[2-[(1S)-1-[(1S,2R,11S,12S,15R,16S)-2,16-Dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate
CAS 55902-88-0C30H40O6
4-Epi-withaferin A chemical structure, C28H38O6, CAS 1214886-27-7
4-Epi-withaferin A
CAS 1214886-27-7C28H38O6
4-Methyl withaferin A chemical structure, C29H40O6, CAS 1777780-94-5
4-Methyl withaferin A
CAS 1777780-94-5C29H40O6
Physapubenolide chemical structure, C30H40O8, CAS 100217-92-3
Physapubenolide
CAS 100217-92-3C30H40O8