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Murcko scaffold

Tetrahydrocytisine scaffold

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
22
With full pages
2
Scaffold SMILES

O=C1CCCC2C3CNCC(C3)CN12

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 scaffoldOpen the Tetrahydrocytisine page
Murcko scaffold O=C1CCCC2C3CNCC(C3)CN12

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 22 of 22 chemicals

Tetrahydrocytisine chemical structure, C11H18N2O, CAS 1017294-60-8
Tetrahydrocytisine
CAS 1017294-60-8C11H18N2O
Cytisine, tetrahydro-12-methyl- chemical structure, C12H20N2O, CAS 18161-95-0
Cytisine, tetrahydro-12-methyl-
CAS 18161-95-0C12H20N2O
Angustifoline chemical structure, C14H22N2O, CAS 550-43-6
Angustifoline
CAS 550-43-6C14H22N2O
Tetrahydrorhombifoline chemical structure, C15H24N2O, CAS 3382-84-1
Tetrahydrorhombifoline
CAS 3382-84-1C15H24N2O
Cytisine, tetrahydro-12-(2-hydroxyethyl)- chemical structure, C13H22N2O2, CAS 29047-42-5
Cytisine, tetrahydro-12-(2-hydroxyethyl)-
CAS 29047-42-5C13H22N2O2
Decahydro-3-(2-hydroxypropyl)-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one chemical structure, C14H24N2O2, CAS 29047-44-7
Decahydro-3-(2-hydroxypropyl)-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
CAS 29047-44-7C14H24N2O2
(1S,9S)-11-Ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one chemical structure, C13H22N2O, CAS 742106-57-6
(1S,9S)-11-Ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CAS 742106-57-6C13H22N2O
(1R,5R,11aS)-Methyl 8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate chemical structure, C13H20N2O3, CAS 652144-67-7
(1R,5R,11aS)-Methyl 8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxylate
CAS 652144-67-7C13H20N2O3
(1R,5S,11AR)-Decahydro-8H-1,5-methanopyrido[1,2-A][1,5]diazocin-8-one chemical structure, C11H18N2O, CAS 1932803-95-6
(1R,5S,11AR)-Decahydro-8H-1,5-methanopyrido[1,2-A][1,5]diazocin-8-one
CAS 1932803-95-6C11H18N2O
(1R,2S,9S)-7,11-Diazatricyclo[7.3.1.0~2,7~]tridecan-6-one chemical structure, C11H18N2O, CAS 18161-94-9
(1R,2S,9S)-7,11-Diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CAS 18161-94-9C11H18N2O
(1S,2S,9S)-7,11-Diazatricyclo[7.3.1.0,{2,7}]tridecan-6-one chemical structure, C11H18N2O, CAS 3054372-14-1
(1S,2S,9S)-7,11-Diazatricyclo[7.3.1.0,{2,7}]tridecan-6-one
CAS 3054372-14-1C11H18N2O
8-Oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbaldehyde chemical structure, C12H18N2O2, CAS 151756-70-6
8-Oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbaldehyde
CAS 151756-70-6C12H18N2O2
(1R,5S,11aR)-3-Ethyldecahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one chemical structure, C13H22N2O, CAS 40360-49-4
(1R,5S,11aR)-3-Ethyldecahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CAS 40360-49-4C13H22N2O
3-(3-Chloro-2-hydroxypropyl)decahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one chemical structure, C14H23ClN2O2, CAS 802608-15-7
3-(3-Chloro-2-hydroxypropyl)decahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
CAS 802608-15-7C14H23ClN2O2
3-(3-Methylbutyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one chemical structure, C16H28N2O, CAS 40360-50-7
3-(3-Methylbutyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CAS 40360-50-7C16H28N2O
10-(Prop-2-en-1-yl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one chemical structure, C14H22N2O, CAS 97978-80-8
10-(Prop-2-en-1-yl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CAS 97978-80-8C14H22N2O
6-(3-Buten-1-yl)decahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one chemical structure, C15H24N2O, CAS 857021-50-2
6-(3-Buten-1-yl)decahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
CAS 857021-50-2C15H24N2O
(1R,5R)-Decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one chemical structure, C11H18N2O, CAS 1195246-55-9
(1R,5R)-Decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CAS 1195246-55-9C11H18N2O
3-Chlorodecahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one chemical structure, C11H17ClN2O, CAS 94583-29-6
3-Chlorodecahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CAS 94583-29-6C11H17ClN2O
3-Ethyldecahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one chemical structure, C13H22N2O, CAS 28404-50-4
3-Ethyldecahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
CAS 28404-50-4C13H22N2O
Angustifoline (hydrochloride) chemical structure, C14H23ClN2O, CAS 133398-34-2
Angustifoline (hydrochloride)
CAS 133398-34-2C14H23ClN2O
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-chloro-2-hydroxypropyl)decahydro-, hydrobromide (1:2) chemical structure, C14H25Br2ClN2O2, CAS 29047-46-9
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-chloro-2-hydroxypropyl)decahydro-, hydrobromide (1:2)
CAS 29047-46-9C14H25Br2ClN2O2