Murcko scaffold
Ring system with 8 rings and 36 atoms
28 chemicals on CompoundList share this ring system.
- Rings
- 8
- Scaffold atoms
- 36
- Chemicals
- 28
- With full pages
- 4
Scaffold SMILES
O=C(OCC12CCCC34C5CC6CCC(C5C6)C(CC13)C4NC2)c1ccccc1N1C(=O)CCC1=O
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 28 of 28 chemicals
Andersoline
C38H50N2O11
14-Deacetylnudicauline
CAS 119347-24-9C36H48N2O10
Lycaconitine
CAS 25867-19-0C36H48N2O10
Ipwqjeoncufcor-rnnmqtrdsa-
CAS 99815-83-5C38H50N2O11
Methyllycaconitine perchlorate, delphinium sp.
CAS 1356-60-1C37H50N2O10
![(11-Ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate chemical structure, C36H48N2O10](/s/KFXVNXQXPRPLQA-UHFFFAOYSA-N.svg)
(11-Ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
C36H48N2O10
14-Acetylbearline
CAS 253328-43-7C39H50N2O12
Methyllycaconitine citrate
CAS 112825-05-5C43H58N2O17
Bearline
CAS 253337-82-5C37H48N2O11
14-Deacetyl-14-isobutyrylnudicauline
CAS 254876-71-6C40H54N2O11
Geyerline
CAS 213697-78-0C38H50N2O11
Methyllycaconitine citrate
C43H58N2O17
![[(1alpha,5xi,6beta,9xi,10xi,14alpha)-14-(Acetyloxy)-20-ethyl-7,8-dihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate chemical structure, C38H50N2O11](/s/IPWQJEONCUFCOR-PUEURLJZSA-N.svg)
[(1alpha,5xi,6beta,9xi,10xi,14alpha)-14-(Acetyloxy)-20-ethyl-7,8-dihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
C38H50N2O11
Methyllycaconitine (citrate)
CAS 351344-10-0C43H58N2O17
Lycaconitine perchlorate
CAS 321938-55-0C36H49ClN2O14
Methyllycaconitine citrate
C43H58N2O17
Lycoctonine N-succinylanthranilic acid ester
C36H48N2O10
Methyllycaconitine citrate (mla)
C43H58N2O17
Methyllycaconitine citrate
C43H58N2O17
(20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl)methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
C36H48N2O10
![[(1S,4S,5R,6S,8R,9S,13S,16S,18S)-11-Ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate chemical structure, C36H48N2O10](/s/KFXVNXQXPRPLQA-RXSGGJJFSA-N.svg)
[(1S,4S,5R,6S,8R,9S,13S,16S,18S)-11-Ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
C36H48N2O10
Methyllycaconitine perchlorate
CAS 40819-78-1C37H51ClN2O14
![(20-Ethyl-7,8-dihydroxy-1alpha,6beta,14beta,16beta-tetramethoxy-11beta-aconitan-4-yl)methyl 2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate chemical structure, C37H50N2O10, CAS 925687-61-2](/s/XLTANAWLDBYGFU-UFRLBOBMSA-N.svg)
(20-Ethyl-7,8-dihydroxy-1alpha,6beta,14beta,16beta-tetramethoxy-11beta-aconitan-4-yl)methyl 2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CAS 925687-61-2C37H50N2O10
![[14-(Acetyloxy)-20-ethyl-7,8-dihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate chemical structure, C38H50N2O11](/s/IPWQJEONCUFCOR-YMMFLMTESA-N.svg)
[14-(Acetyloxy)-20-ethyl-7,8-dihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
C38H50N2O11
- Methyllycaconitine hydrochloride72629-98-2C37H51ClN2O10
- Methyllycaconitine21019-30-7C37H50N2O10
- Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]-, 14-acetate, (1alpha,6beta,14alpha,16beta)-C38H50N2O11
- Methyllycaconitine citrateC43H58N2O17