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Murcko scaffold

4,4a,5,6,7,8-Hexahydro-2(3H)-naphthalenone scaffold

90 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
90
With full pages
14
Scaffold SMILES

O=C1C=C2CCCCC2CC1

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 4,4a,5,6,7,8-Hexahydro-2(3H)-naphthalenone page
Murcko scaffold O=C1C=C2CCCCC2CC1

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 49 to 90 of 90 chemicals

Alfa-cyperone chemical structure, C15H22O, CAS 23665-61-4
Alfa-cyperone
CAS 23665-61-4C15H22O
Bus599VP37 chemical structure, C10H14O, CAS 38772-78-0
Bus599VP37
CAS 38772-78-0C10H14O
4,4a-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one chemical structure, C12H18O, CAS 88246-02-0
4,4a-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS 88246-02-0C12H18O
8-Methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one chemical structure, C11H16O, CAS 33449-59-1
8-Methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS 33449-59-1C11H16O
8-Isopropyl-5-methyl-4,4A,5,6,7,8-hexahydronaphthalen-2(3H)-one chemical structure, C14H22O, CAS 4726-45-8
8-Isopropyl-5-methyl-4,4A,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS 4726-45-8C14H22O
rel-(4aR,5S)-5-Ethynyl-4,4a,5,6,7,8-hexahydro-5-hydroxy-4a-methyl-2(3H)-naphthalenone chemical structure, C13H16O2, CAS 13082-37-6
rel-(4aR,5S)-5-Ethynyl-4,4a,5,6,7,8-hexahydro-5-hydroxy-4a-methyl-2(3H)-naphthalenone
CAS 13082-37-6C13H16O2
5-Hydroxy-1,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one chemical structure, C12H18O2, CAS 102058-65-1
5-Hydroxy-1,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS 102058-65-1C12H18O2
(4aR,6R)-6-Hexyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one chemical structure, C16H26O, CAS 82254-89-5
(4aR,6R)-6-Hexyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS 82254-89-5C16H26O
2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl)prop-2-enoic acid chemical structure, C15H20O3
2-(4a,8-Dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl)prop-2-enoic acid
C15H20O3
Tessaric acid chemical structure, C15H20O3, CAS 58142-10-2
Tessaric acid
CAS 58142-10-2C15H20O3
(3R)-4alpha,4aalpha-Dimethyl-3beta,6beta-dihydroxy-1,2,3,4,4a,5,6,7-octahydro-6alpha-isopropenylnaphthalen-7-one chemical structure, C15H22O3, CAS 129602-11-5
(3R)-4alpha,4aalpha-Dimethyl-3beta,6beta-dihydroxy-1,2,3,4,4a,5,6,7-octahydro-6alpha-isopropenylnaphthalen-7-one
CAS 129602-11-5C15H22O3
Ligucyperonol chemical structure, C15H22O2, CAS 105108-20-1
Ligucyperonol
CAS 105108-20-1C15H22O2
8-Methyl-7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2H)-carbonitrile chemical structure, C12H15NO, CAS 19912-56-2
8-Methyl-7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2H)-carbonitrile
CAS 19912-56-2C12H15NO
Teuhetenone A chemical structure, C12H18O2, CAS 152481-80-6
Teuhetenone A
CAS 152481-80-6C12H18O2
4-Hydroxy-11,12,13-trinor-5-eudesmen-7-one chemical structure, C12H18O2, CAS 133369-42-3
4-Hydroxy-11,12,13-trinor-5-eudesmen-7-one
CAS 133369-42-3C12H18O2
(+)-(4R,5S,7R)-11,12-Dihydroxynootkatone chemical structure, C15H24O3, CAS 226547-04-2
(+)-(4R,5S,7R)-11,12-Dihydroxynootkatone
CAS 226547-04-2C15H24O3
(11S)-Nootkatone-11,12-diol chemical structure, C15H24O3, CAS 114394-00-2
(11S)-Nootkatone-11,12-diol
CAS 114394-00-2C15H24O3
S-Petasin chemical structure, C19H26O3S, CAS 70238-51-6
S-Petasin
CAS 70238-51-6C19H26O3S
(4aS,7R,8R)-7-Hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one chemical structure, C12H18O2, CAS 133369-43-4
(4aS,7R,8R)-7-Hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CAS 133369-43-4C12H18O2
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,7,7-trimethyl-, (R)- chemical structure, C13H20O, CAS 502559-21-9
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,7,7-trimethyl-, (R)-
CAS 502559-21-9C13H20O
Oxyphyllenone B chemical structure, C12H18O3, CAS 363610-36-0
Oxyphyllenone B
CAS 363610-36-0C12H18O3
(4aS)-7-Oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile chemical structure, C11H13NO, CAS 193222-44-5
(4aS)-7-Oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile
CAS 193222-44-5C11H13NO
12-Hydroxynootkatone chemical structure, C15H22O2, CAS 141695-86-5
12-Hydroxynootkatone
CAS 141695-86-5C15H22O2
1,8a-Dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl 5-(acetyloxy)-4-methylpent-2-enoate chemical structure, C23H32O5, CAS 69734-54-9
1,8a-Dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl 5-(acetyloxy)-4-methylpent-2-enoate
CAS 69734-54-9C23H32O5