Murcko scaffold
Ring system with 3 rings and 16 atoms
6 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 16
- Chemicals
- 6
- With full pages
- 1
Scaffold SMILES
O=C(OCc1ccc2c(c1)OCO2)C1CC1
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 6 of 6 chemicals
Barthrin
CAS 70-43-9C18H21ClO4
1,3-Benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
CAS 6412-98-2C18H22O4
(6-Bromo-2H-1,3-benzodioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
CAS 7355-04-6C18H21BrO4
![[6-(Prop-2-en-1-yl)-1,3-benzodioxol-5-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate chemical structure, C21H26O4, CAS 5434-17-3](/s/KCUFDBZLVGHNJY-UHFFFAOYSA-N.svg)
[6-(Prop-2-en-1-yl)-1,3-benzodioxol-5-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
CAS 5434-17-3C21H26O4
1-(2H-1,3-Benzodioxol-5-yl)-2,2-dimethylpropyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
CAS 20306-23-4C22H30O4
trans-Barthrin
CAS 40642-48-6C18H21ClO4
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(NCc1ccc2[nH]ccc2c1)C1CC1](/scaffold/AFQOAGNIFZGYOD-UHFFFAOYSA-N/structure.svg)
![Scaffold O=C(NCC1CC1)c1ccc2nc[nH]c2c1](/scaffold/MKHZUGOKPRLJJG-UHFFFAOYSA-N/structure.svg)
