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Murcko scaffold

Ring system with 5 rings and 26 atoms

16 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
26
Chemicals
16
With full pages
4
Scaffold SMILES

O=C1C=CCC(CC2CCC3C2CCC2C3CCC3CC=CC(=O)C32)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(CC2CCC3C2CCC2C3CCC3CC=CC(=O)C32)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 16 of 16 chemicals

Jaborosalactone D chemical structure, C28H40O6, CAS 19891-82-8
Jaborosalactone D
CAS 19891-82-8C28H40O6
Withaperuvin chemical structure, C28H40O9, CAS 78285-97-9
Withaperuvin
CAS 78285-97-9C28H40O9
Physalolactone chemical structure, C28H39ClO8, CAS 71339-25-8
Physalolactone
CAS 71339-25-8C28H39ClO8
Physalolactone chemical structure, C28H39ClO8
Physalolactone
C28H39ClO8
Coagulin H chemical structure, C28H40O9, CAS 216163-59-6
Coagulin H
CAS 216163-59-6C28H40O9
Npc133119 chemical structure, C28H40O8, CAS 63139-16-2
Npc133119
CAS 63139-16-2C28H40O8
Withangulatin G chemical structure, C28H40O10, CAS 946074-83-5
Withangulatin G
CAS 946074-83-5C28H40O10
2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one chemical structure, C28H39ClO5, CAS 19898-96-5
2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
CAS 19898-96-5C28H39ClO5
Withafastuosin E chemical structure, C28H40O7, CAS 160954-07-4
Withafastuosin E
CAS 160954-07-4C28H40O7
2,3-Dehydrosomnifericin chemical structure, C28H40O7, CAS 173614-88-5
2,3-Dehydrosomnifericin
CAS 173614-88-5C28H40O7
6alpha-chloro-5beta-hydroxywithaferin A chemical structure, C28H39ClO6, CAS 52329-20-1
6alpha-chloro-5beta-hydroxywithaferin A
CAS 52329-20-1C28H39ClO6
Withanolide C chemical structure, C28H39ClO7, CAS 108030-78-0
Withanolide C
CAS 108030-78-0C28H39ClO7
Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (5beta,6alpha,17alpha,22R)- chemical structure, C28H39ClO7, CAS 78286-00-7
Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (5beta,6alpha,17alpha,22R)-
CAS 78286-00-7C28H39ClO7
Ergosta-2,24-dien-26-oic acid, 6-chloro-4,5,14,17,20,22,23-heptahydroxy-1-oxo-, delta-lactone, (4beta,5beta,6alpha,17alpha,22R,23R)- chemical structure, C28H39ClO9, CAS 118194-16-4
Ergosta-2,24-dien-26-oic acid, 6-chloro-4,5,14,17,20,22,23-heptahydroxy-1-oxo-, delta-lactone, (4beta,5beta,6alpha,17alpha,22R,23R)-
CAS 118194-16-4C28H39ClO9
2-[(1R)-1-Hydroxy-1-[(5R,6R,10R,13S,14R,17S)-5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one chemical structure, C28H40O8, CAS 1946775-11-6
2-[(1R)-1-Hydroxy-1-[(5R,6R,10R,13S,14R,17S)-5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
CAS 1946775-11-6C28H40O8
Physalolactone chemical structure, C28H39ClO8
Physalolactone
C28H39ClO8