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Murcko scaffold

Ring system with 3 rings and 16 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
10
With full pages
3
Scaffold SMILES

O=C1C=Cc2ccc3c(c2C1=O)CCCC3

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.

Substructure search with this scaffold
Murcko scaffold O=C1C=Cc2ccc3c(c2C1=O)CCCC3

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 10 of 10 chemicals

Miltirone chemical structure, C19H22O2, CAS 27210-57-7
Miltirone
CAS 27210-57-7C19H22O2
1-Hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione chemical structure, C19H22O4, CAS 121077-35-8
1-Hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
CAS 121077-35-8C19H22O4
2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione chemical structure, C17H18O2, CAS 127791-75-7
2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione
CAS 127791-75-7C17H18O2
1-Hydroxy-2-((2R)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione chemical structure, C19H22O4, CAS 109664-02-0
1-Hydroxy-2-((2R)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
CAS 109664-02-0C19H22O4
2-Isopropyl-5,6,7,8-tetrahydro-8-methyl-3,4-phenanthrenedione chemical structure, C18H20O2, CAS 127791-76-8
2-Isopropyl-5,6,7,8-tetrahydro-8-methyl-3,4-phenanthrenedione
CAS 127791-76-8C18H20O2
3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl- chemical structure, C16H16O2, CAS 133130-80-0
3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-
CAS 133130-80-0C16H16O2
2-Methyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione chemical structure, C15H14O2, CAS 127791-77-9
2-Methyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
CAS 127791-77-9C15H14O2
1-Methyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione chemical structure, C15H14O2, CAS 127791-78-0
1-Methyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
CAS 127791-78-0C15H14O2
Deoxyneocryptotanshinone chemical structure, C19H22O3, CAS 27468-20-8
Deoxyneocryptotanshinone
CAS 27468-20-8C19H22O3
(5R)-5-Hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione chemical structure, C19H22O3, CAS 105037-82-9
(5R)-5-Hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
CAS 105037-82-9C19H22O3