CompoundList
Sign in
Murcko scaffold

Ring system with 6 rings and 27 atoms

20 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
27
Chemicals
20
With full pages
4
Scaffold SMILES

O=C1C=CCC(CC2CCC3C2CCC2C3CC3OC34CCCC(=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(CC2CCC3C2CCC2C3CC3OC34CCCC(=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 20 of 20 chemicals

4-Hydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione chemical structure, C28H40O5, CAS 27863-60-1
4-Hydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione
CAS 27863-60-1C28H40O5
Withaferin A, dihydro- chemical structure, C28H40O6, CAS 5589-41-3
Withaferin A, dihydro-
CAS 5589-41-3C28H40O6
3-Ethoxy-2,3-dihydrowithaferin-A chemical structure, C30H44O7, CAS 73336-40-0
3-Ethoxy-2,3-dihydrowithaferin-A
CAS 73336-40-0C30H44O7
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-ethoxy-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one chemical structure, C30H44O6, CAS 73336-41-1
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-ethoxy-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
CAS 73336-41-1C30H44O6
2,3-Dihydro-3beta-methoxy withaferin A chemical structure, C29H42O7, CAS 73365-94-3
2,3-Dihydro-3beta-methoxy withaferin A
CAS 73365-94-3C29H42O7
Withangulatin H chemical structure, C29H42O9, CAS 946074-84-6
Withangulatin H
CAS 946074-84-6C29H42O9
Withangulatin C chemical structure, C29H42O9, CAS 946074-79-9
Withangulatin C
CAS 946074-79-9C29H42O9
2,3-Dihydro-3beta-O-sulfate withaferin A chemical structure, C28H40O10S, CAS 1159096-16-8
2,3-Dihydro-3beta-O-sulfate withaferin A
CAS 1159096-16-8C28H40O10S
Withalongolide D chemical structure, C29H42O8, CAS 1350448-45-1
Withalongolide D
CAS 1350448-45-1C29H42O8
Withalongolide E chemical structure, C29H42O8, CAS 1350448-46-2
Withalongolide E
CAS 1350448-46-2C29H42O8
Withalongolide G chemical structure, C28H40O11S, CAS 1350448-48-4
Withalongolide G
CAS 1350448-48-4C28H40O11S
Viscosalactone B chemical structure, C28H40O7, CAS 76938-46-0
Viscosalactone B
CAS 76938-46-0C28H40O7
Phyperunolide E chemical structure, C28H40O9, CAS 1198400-52-0
Phyperunolide E
CAS 1198400-52-0C28H40O9
2,3-Dihydro-3-methoxywithaferin A chemical structure, C29H42O7, CAS 21902-96-5
2,3-Dihydro-3-methoxywithaferin A
CAS 21902-96-5C29H42O7
[(1S,2R,6S,7S,9R,11S,12S,15R,16R)-6-Acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-16-yl]methyl acetate chemical structure, C33H46O9
[(1S,2R,6S,7S,9R,11S,12S,15R,16R)-6-Acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-16-yl]methyl acetate
C33H46O9
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-5,6,12,15-tetrahydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one chemical structure, C28H40O9
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-5,6,12,15-tetrahydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
C28H40O9
(22R)-14,17,20-Trihydroxy-5beta,6beta-5,6:22,26-diepoxyergost-24-ene-1,26-dione chemical structure, C28H40O7, CAS 38253-76-8
(22R)-14,17,20-Trihydroxy-5beta,6beta-5,6:22,26-diepoxyergost-24-ene-1,26-dione
CAS 38253-76-8C28H40O7
(22R)-1,26-Dioxo-4beta,5beta,6beta-5,6:22,26-diepoxyergost-24-ene-4,27-diyl diacetate chemical structure, C32H44O8, CAS 4965-37-1
(22R)-1,26-Dioxo-4beta,5beta,6beta-5,6:22,26-diepoxyergost-24-ene-4,27-diyl diacetate
CAS 4965-37-1C32H44O8
Orb1681908 chemical structure, C28H40O9
Orb1681908
C28H40O9
[(1S,2S,6S,7R,9R,11S,12S,15R,16S)-6-Acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-16-yl]methyl acetate chemical structure, C33H46O9, CAS 21903-02-6
[(1S,2S,6S,7R,9R,11S,12S,15R,16S)-6-Acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-16-yl]methyl acetate
CAS 21903-02-6C33H46O9