Murcko scaffold
Ring system with 6 rings and 25 atoms
43 chemicals on CompoundList share this ring system.
- Rings
- 6
- Scaffold atoms
- 25
- Chemicals
- 43
- With full pages
- 8
Scaffold SMILES
O=c1ccc(C2CC3OC34C2CCC2C3CCCCC3CCC24)co1
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.
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 43 of 43 chemicals
3,16-Bis(acetyloxy)-14,15-epoxybufa-20,22-dienolide
CAS 4026-97-5C28H36O7
Acetylresibufogenin
CAS 4029-64-5C26H34O5
Acetylmarinobufagin
CAS 4029-68-9C26H34O6
3,16-Bis(acetyloxy)-5-hydroxy-14,15-epoxybufa-20,22-dienolide
CAS 4189-91-7C28H36O8
Marinobufagin 3-sulfate
CAS 71595-47-6C24H32O8S
Cinobufotalin
CAS 1108-68-5C26H34O7
14,15beta-Epoxy-3beta-hydroxy-5beta-bufa-20,22-dienolide
CAS 24183-15-1C24H32O4
5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate
CAS 4026-96-4C26H34O6
![[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] propanoate chemical structure, C29H38O7, CAS 76675-88-2](/s/SQOBVIVBZDIZBF-UHFFFAOYSA-N.svg)
[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] propanoate
CAS 76675-88-2C29H38O7
Bufadienolide derivative
CAS 76685-42-2C30H40O7
![[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] pentanoate chemical structure, C31H42O7, CAS 76675-89-3](/s/UTPCTZGPEOEJIV-UHFFFAOYSA-N.svg)
[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] pentanoate
CAS 76675-89-3C31H42O7
![[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] 3-methylbutanoate chemical structure, C31H42O7, CAS 76675-90-6](/s/LSWGEIDZFJJZMB-UHFFFAOYSA-N.svg)
[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] 3-methylbutanoate
CAS 76675-90-6C31H42O7
![[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] hexanoate chemical structure, C32H44O7, CAS 76675-91-7](/s/XXRPWIOCLZASPO-UHFFFAOYSA-N.svg)
[14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] hexanoate
CAS 76675-91-7C32H44O7
![[5-Formyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate chemical structure, C27H34O7, CAS 76675-87-1](/s/KZZFPEOLXOMJPV-UHFFFAOYSA-N.svg)
[5-Formyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate
CAS 76675-87-1C27H34O7
5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta-hydroxy-19-oxo-
C24H30O5
Resibufotoxin
CAS 35455-32-4C38H56N4O8
Resibufogenin
CAS 465-39-4C24H32O4
3beta-formyloxyresibufogenin
CAS 336183-61-0C25H32O5
6alpha-Hydroxycinobufagin
CAS 366004-26-4C26H34O7
Desacetylcinobufagin
CAS 4026-95-3C24H32O5
Cinobufagin-3-hemisuccinate
CAS 36615-12-0C30H38O9
Marinobufagenin
CAS 470-42-8C24H32O5
![(1R,2S,4R,7R,10S,11R,14S,16R)-14-Hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde chemical structure, C24H30O5, CAS 20987-24-0](/s/LFLJTMIVTFTLOA-UIZOPSFESA-N.svg)
(1R,2S,4R,7R,10S,11R,14S,16R)-14-Hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde
CAS 20987-24-0C24H30O5
Cinobufagin
CAS 470-37-1C26H34O6
- Marinobufagin 3-pimeloylarginine ester72103-58-3C37H54N4O9
- Cinobufaginol6691-83-4C26H34O7
- ResibufaginC24H30O5
- 12beta-Hydroxyresibufogenin2042-58-2C24H32O5
- 2 suppliersDesacetylcinobufotalin4099-30-3C24H32O6
- 3-Epi-resibufogenin36121-79-6C24H32O4
- 3-Epicinobufagin36121-84-3C26H34O6
- 3beta-(Acetyloxy)-16alpha-hydroxy-5beta,15beta-14,15-epoxybufa-20,22-dienolide117943-59-6C26H34O6
- Bufotalinin562-21-0C24H30O6
- Marinobufotoxin30685-91-7C38H56N4O9
- Npc9721024512-60-5C26H32O8
- 19-Oxocinobufagin24512-59-2C26H32O7
- (1alpha,3beta,5beta,15beta,16beta)-16-(Acetyloxy)-14,15-epoxy-1,3-dihydroxybufa-20,22-dienolide1357380-54-1C26H34O7
- (1R,2S,4R,6R,7R,11R,14S)-14-Hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehydeC24H30O5
- Resibufogenin 3-sulfate72093-17-5C24H32O7S
- [(1R,2S,4S,5R,6R,7R,10S,11R,14S,16R)-11-Formyl-14-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetateC26H32O7
- OxocinobufaginC26H32O7
- 19-OxocinobufaginC26H32O7
- 3beta-(Acetyloxy)-5-hydroxy-19-oxo-5beta,15beta-14,15-epoxybufa-20,22-dienolide4133-42-0C26H32O7