Murcko scaffold
Ring system with 3 rings and 14 atoms
21 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 14
- Chemicals
- 21
- With full pages
- 0
Scaffold SMILES
O=C1CCC2C(CCC3CCCC32)C1
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 21 of 21 chemicals
![3-Hydroxy-3a-methyl-6-(3-oxobutyl)dodecahydro-7H-cyclopenta[a]naphthalen-7-one chemical structure, C18H28O3](/s/IUVFRVBMKOCTCP-UHFFFAOYSA-N.svg)
3-Hydroxy-3a-methyl-6-(3-oxobutyl)dodecahydro-7H-cyclopenta[a]naphthalen-7-one
C18H28O3
![3-[(3S,3aS,5aS,6R,9aS,9bS)-3-Hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid chemical structure, C19H30O4, CAS 2931-65-9](/s/UYMHYRPSWIDDSO-TULRTYAESA-N.svg)
3-[(3S,3aS,5aS,6R,9aS,9bS)-3-Hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
CAS 2931-65-9C19H30O4
![Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate chemical structure, C27H46O3, CAS 2063-90-3](/s/KFESJUNMYAXFFT-UHFFFAOYSA-N.svg)
Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
CAS 2063-90-3C27H46O3
![(3S,3aS,5aS,6R,9aS,9bS)-6-(2-Carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid chemical structure, C19H28O5, CAS 76763-14-9](/s/SXMYTVFDBSFKNU-UUBMZHIOSA-N.svg)
(3S,3aS,5aS,6R,9aS,9bS)-6-(2-Carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid
CAS 76763-14-9C19H28O5
Dutasteride impurity 50
CAS 3510-20-1C20H30O4
![3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid chemical structure, C26H44O3, CAS 1508-94-7](/s/YSWDCQJTPYALJE-MEJHGOECSA-N.svg)
3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
CAS 1508-94-7C26H44O3
![(3S,3aS,5aS,6S,9aS,9bS)-3-(tert-Butoxy)-6-(hydroxymethyl)-3a,6-dimethyl-dodecahydro-1H-cyclopenta[a]naphthalen-7-one chemical structure, C20H34O3, CAS 127916-32-9](/s/XWRZFGXTDZNZAS-WGTDWQTJSA-N.svg)
(3S,3aS,5aS,6S,9aS,9bS)-3-(tert-Butoxy)-6-(hydroxymethyl)-3a,6-dimethyl-dodecahydro-1H-cyclopenta[a]naphthalen-7-one
CAS 127916-32-9C20H34O3
![(3S,3aS,5aS,6S,9aS,9bS)-3-(tert-Butoxy)-3a,6-dimethyl-7-oxo-dodecahydro-1H-cyclopenta[a]naphthalene-6-carbaldehyde chemical structure, C20H32O3, CAS 127916-20-5](/s/UOYGJZWAUPGLSJ-WGTDWQTJSA-N.svg)
(3S,3aS,5aS,6S,9aS,9bS)-3-(tert-Butoxy)-3a,6-dimethyl-7-oxo-dodecahydro-1H-cyclopenta[a]naphthalene-6-carbaldehyde
CAS 127916-20-5C20H32O3
![7H-Benz[e]inden-7-one, 3-(1,1-dimethylethoxy)dodecahydro-3a,6-dimethyl-6-(3-oxobutyl-2,3,4-13C3)-, (3S,3aS,5aS,6R,9aS,9bS)- chemical structure, C23H38O3, CAS 327049-09-2](/s/XMVMWQCLUNBRJA-HPSJQUIQSA-N.svg)
7H-Benz[e]inden-7-one, 3-(1,1-dimethylethoxy)dodecahydro-3a,6-dimethyl-6-(3-oxobutyl-2,3,4-13C3)-, (3S,3aS,5aS,6R,9aS,9bS)-
CAS 327049-09-2C23H38O3
![(3S,3aS,5aS,6R,9aS,9bS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid chemical structure, C23H37NO4, CAS 190006-01-0](/s/VNAXIILVANELQH-FIIPNDBVSA-N.svg)
(3S,3aS,5aS,6R,9aS,9bS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid
CAS 190006-01-0C23H37NO4
![3-((3S,3aS,5aS,6R,9aS,9bS)-3-Hydroxy-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid chemical structure, C18H28O4, CAS 1759-35-9](/s/COGRAKQBTBRYQC-HHJOSPGFSA-N.svg)
3-((3S,3aS,5aS,6R,9aS,9bS)-3-Hydroxy-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
CAS 1759-35-9C18H28O4
![3-(3-Hydroxy-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid chemical structure, C18H28O4, CAS 97555-61-8](/s/COGRAKQBTBRYQC-UHFFFAOYSA-N.svg)
3-(3-Hydroxy-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
CAS 97555-61-8C18H28O4
17-beta-Hydroxy-4,5-secooestrane-3,5-dione
CAS 10582-48-6C18H28O3
![(3S,3aS,5aS,9aR,9bS)-3-Hydroxy-3a-methyl-6-(3-oxobutyl)-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-one chemical structure, C18H28O3](/s/IUVFRVBMKOCTCP-DLHBJASFSA-N.svg)
(3S,3aS,5aS,9aR,9bS)-3-Hydroxy-3a-methyl-6-(3-oxobutyl)-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-one
C18H28O3
![(3S,3aS,6S)-3-((tert-Butyldimethylsilyl)oxy)-6-(hydroxymethyl)-3a,6-dimethyldecahydro-1H-cyclopenta[a]naphthalen-7(2H)-one chemical structure, C22H40O3Si, CAS 327048-93-1](/s/FUNLLIJOYNVIFA-BYZAFRQWSA-N.svg)
(3S,3aS,6S)-3-((tert-Butyldimethylsilyl)oxy)-6-(hydroxymethyl)-3a,6-dimethyldecahydro-1H-cyclopenta[a]naphthalen-7(2H)-one
CAS 327048-93-1C22H40O3Si
![3,6-Dihydroxy-3a-methyldodecahydro-7H-cyclopenta[a]naphthalen-7-one chemical structure, C14H22O3, CAS 62406-53-5](/s/NFUNRPWPTQFUNM-UHFFFAOYSA-N.svg)
3,6-Dihydroxy-3a-methyldodecahydro-7H-cyclopenta[a]naphthalen-7-one
CAS 62406-53-5C14H22O3
![(3S,3aS,5aS,6R,9aS,9bS)-3-(tert-Butoxy)-3a,6-dimethyl-6-[(1E)-3-oxobut-1-en-1-yl]-dodecahydro-1H-cyclopenta[a]naphthalen-7-one chemical structure, C23H36O3, CAS 127916-33-0](/s/JFHOQDINIGMQEI-FUWKIGQPSA-N.svg)
(3S,3aS,5aS,6R,9aS,9bS)-3-(tert-Butoxy)-3a,6-dimethyl-6-[(1E)-3-oxobut-1-en-1-yl]-dodecahydro-1H-cyclopenta[a]naphthalen-7-one
CAS 127916-33-0C23H36O3
![(3S,3aS,5aS,6R,9aS,9bS)-3-(tert-Butoxy)-3a,6-dimethyl-6-(3-oxobutyl)-dodecahydro-1H-cyclopenta[a]naphthalen-7-one chemical structure, C23H38O3](/s/XMVMWQCLUNBRJA-ZXZAQHALSA-N.svg)
(3S,3aS,5aS,6R,9aS,9bS)-3-(tert-Butoxy)-3a,6-dimethyl-6-(3-oxobutyl)-dodecahydro-1H-cyclopenta[a]naphthalen-7-one
C23H38O3
![(3aS,6S)-6-(Hydroxymethyl)-3a,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one chemical structure, C20H34O3](/s/XWRZFGXTDZNZAS-GUAOIPBKSA-N.svg)
(3aS,6S)-6-(Hydroxymethyl)-3a,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one
C20H34O3
![(3aS,6S)-3a,6-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-6-carbaldehyde chemical structure, C20H32O3](/s/UOYGJZWAUPGLSJ-GUAOIPBKSA-N.svg)
(3aS,6S)-3a,6-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-6-carbaldehyde
C20H32O3
![(3aS,6R)-3a,6-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-6-(3-oxobut-1-enyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one chemical structure, C23H36O3](/s/JFHOQDINIGMQEI-DNSGBJAWSA-N.svg)
(3aS,6R)-3a,6-Dimethyl-3-[(2-methylpropan-2-yl)oxy]-6-(3-oxobut-1-enyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one
C23H36O3
Related scaffolds
Same ring framework with different atoms or bond orders
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