Murcko scaffold
Ring system with 3 rings and 37 atoms
5 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 37
- Chemicals
- 5
- With full pages
- 1
Scaffold SMILES
O=C(CC1CCCCO1)NCC=CC=CCCC1CCC(C=CC=CC=CC(=O)c2ccc[nH]c2=O)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.
![Murcko scaffold O=C(CC1CCCCO1)NCC=CC=CCCC1CCC(C=CC=CC=CC(=O)c2ccc[nH]c2=O)O1](/scaffold/ABCPSFDKNCFWDG-UHFFFAOYSA-N/structure.svg)
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 5 of 5 chemicals
Mocimycin sodium
CAS 53152-67-3C43H59N2NaO12
![N-[7-[5-[7-(2,4-Dioxo-1H-pyridin-3-ylidene)-7-hydroxy-6-methylhepta-1,3,5-trienyl]-3,4-dihydroxy-2-oxolanyl]-6-methoxy-5-methylocta-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-2-oxanyl)butanamide chemical structure, C43H60N2O12, CAS 1092564-11-8](/s/HMSYAPGFKGSXAJ-UHFFFAOYSA-N.svg)
N-[7-[5-[7-(2,4-Dioxo-1H-pyridin-3-ylidene)-7-hydroxy-6-methylhepta-1,3,5-trienyl]-3,4-dihydroxy-2-oxolanyl]-6-methoxy-5-methylocta-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-2-oxanyl)butanamide
CAS 1092564-11-8C43H60N2O12
Kirromycin
CAS 50935-71-2C43H60N2O12
Aurodox
CAS 12704-90-4C44H62N2O12
Heneicomycin
CAS 66170-37-4C44H62N2O11