Murcko scaffold
Ring system with 3 rings and 27 atoms
11 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 27
- Chemicals
- 11
- With full pages
- 2
Scaffold SMILES
O=C(OCCSC1CCCC(CNC(=O)C2CCCN2)O1)c1ccccc1
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 11 of 11 chemicals
7-O-Demethylcelesticetin
CAS 39032-05-8C23H34N2O9S
![2-[3,4,5-Trihydroxy-6-[2-methoxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate chemical structure, C23H34N2O9S, CAS 40736-31-0](/s/JGNMAXOBERVZHJ-UHFFFAOYSA-N.svg)
2-[3,4,5-Trihydroxy-6-[2-methoxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
CAS 40736-31-0C23H34N2O9S
Celesticetin
C24H36N2O9S
Celesticetin
CAS 11027-24-0C24H36N2O9S
Celesticetin
C24H36N2O9S
Celesticetin A
CAS 2520-21-0C24H36N2O9S
Celesticetin salicylate
CAS 5333-75-5C31H42N2O12S
Celesticetin oxalate
CAS 31326-73-5C26H38N2O13S
Desalicetin 2'-(4-aminosalicylate)
CAS 55051-88-2C24H37N3O9S
N-Demethyl-7-O-demethylcelesticetin
CAS 40736-32-1C22H32N2O9S
![2-[3,4,5-Trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-aminobenzoate chemical structure, C24H37N3O8S, CAS 42715-02-6](/s/XDTIXGXCROTITI-UHFFFAOYSA-N.svg)
2-[3,4,5-Trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-aminobenzoate
CAS 42715-02-6C24H37N3O8S
Related scaffolds
Same ring framework with different atoms or bond orders
