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Murcko scaffold

Ring system with 3 rings and 16 atoms

17 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
17
With full pages
4
Scaffold SMILES

O=C1C=CC2=C(C1=O)C1CCCCC1CC2

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=CC2=C(C1=O)C1CCCCC1CC2

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 17 of 17 chemicals

Taxoquinone chemical structure, C20H28O4, CAS 21764-41-0
Taxoquinone
CAS 21764-41-0C20H28O4
7-O-Methylhorminone chemical structure, C21H30O4, CAS 122482-10-4
7-O-Methylhorminone
CAS 122482-10-4C21H30O4
Royleanone chemical structure, C20H28O3, CAS 6812-87-9
Royleanone
CAS 6812-87-9C20H28O3
1,4-Phenanthrenedione, 10-(formyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,9S,10S)- chemical structure, C21H28O6, CAS 65714-77-4
1,4-Phenanthrenedione, 10-(formyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,9S,10S)-
CAS 65714-77-4C21H28O6
7alpha-Acetoxyroyleanone chemical structure, C22H30O5, CAS 6812-88-0
7alpha-Acetoxyroyleanone
CAS 6812-88-0C22H30O5
Horminone chemical structure, C20H28O4, CAS 21887-01-4
Horminone
CAS 21887-01-4C20H28O4
7alpha-Acetoxy-6beta-hydroxyroyleanone chemical structure, C22H30O6, CAS 57932-74-8
7alpha-Acetoxy-6beta-hydroxyroyleanone
CAS 57932-74-8C22H30O6
16-Acetoxy-7alpha-methoxyroyleanone chemical structure, C23H32O6, CAS 109974-33-6
16-Acetoxy-7alpha-methoxyroyleanone
CAS 109974-33-6C23H32O6
Royleanonic acid chemical structure, C20H26O5, CAS 350590-46-4
Royleanonic acid
CAS 350590-46-4C20H26O5
6beta-Acetoxy-7alpha-hydroxyroyleanone chemical structure, C22H30O6, CAS 71539-83-8
6beta-Acetoxy-7alpha-hydroxyroyleanone
CAS 71539-83-8C22H30O6
Nemorone chemical structure, C22H28O6, CAS 32764-46-8
Nemorone
CAS 32764-46-8C22H28O6
16-Acetoxy-7-O-acetylhorminone chemical structure, C24H32O7, CAS 269742-39-4
16-Acetoxy-7-O-acetylhorminone
CAS 269742-39-4C24H32O7
Lophanthoidin B chemical structure, C24H32O8, CAS 120462-42-2
Lophanthoidin B
CAS 120462-42-2C24H32O8
1,4-Phenanthrenedione, 10-(acetyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-2-(2-hydroxy-1-methylethyl)-4b,8,8-trimethyl- chemical structure, C22H30O7, CAS 120462-43-3
1,4-Phenanthrenedione, 10-(acetyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-2-(2-hydroxy-1-methylethyl)-4b,8,8-trimethyl-
CAS 120462-43-3C22H30O7
Lophanthoidin E chemical structure, C22H30O7, CAS 120462-45-5
Lophanthoidin E
CAS 120462-45-5C22H30O7
Lophanthoidin F chemical structure, C24H34O7, CAS 120462-46-6
Lophanthoidin F
CAS 120462-46-6C24H34O7
Gerardianin B chemical structure, C22H30O6, CAS 2070919-73-0
Gerardianin B
CAS 2070919-73-0C22H30O6