Murcko scaffold
Ring system with 5 rings and 26 atoms
19 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 26
- Chemicals
- 19
- With full pages
- 5
Scaffold SMILES
O=C(Oc1ccc2c(c1)CCC1C2CCC2CCCC21)c1ccccc1
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 19 of 19 chemicals
![(17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate chemical structure, C25H28O3, CAS 896441-79-5](/s/UYIFTLBWAOGQBI-UHFFFAOYSA-N.svg)
(17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate
CAS 896441-79-5C25H28O3
alpha-Estradiol 3-benzoate
CAS 6045-53-0C25H28O3
Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate
CAS 63042-18-2C29H34O4
3-(2-Iodobenzoyl)estradiol
CAS 91999-13-2C25H27IO3
Estradiol 17-acetate 3-benzoate
CAS 4954-17-0C27H30O4
Estradiol anthranilate
CAS 111111-97-8C25H29NO3
beta-Estradiol 3-acetylsalicylate
CAS 111111-98-9C27H30O5
beta-Estradiol 3-salicylate
CAS 113844-57-8C25H28O4
Malun 25
CAS 79682-28-3C56H80ClNNa3O22S2+
Estradiol benzoate
CAS 50-50-0C25H28O3
Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-diacetate 3-benzoate, (16alpha,17beta)-
CAS 2508-47-6C29H32O6
Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)
CAS 75219-61-3C27H30O5
![5-[[(8R,9S,13S,14S,17S)-3-(Benzoyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-5-oxopentanoic Acid chemical structure, C30H34O6, CAS 194995-13-6](/s/NNPAIHGANVTLEO-PWVMNMNYSA-N.svg)
5-[[(8R,9S,13S,14S,17S)-3-(Benzoyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-5-oxopentanoic Acid
CAS 194995-13-6C30H34O6
Isoestradiol 3-benzoate
CAS 6011-90-1C25H28O3
Estriol 3-benzoate
CAS 2137-85-1C25H28O4
Synovex C
CAS 8000-03-1C46H58O5
Estradiol benzoate-d3
CAS 1192354-74-7C25H28O3
![[(8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 4-methoxybenzoate chemical structure, C26H30O4, CAS 28200-88-6](/s/QERGEPXTHLBUHN-XRKIENNPSA-N.svg)
[(8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 4-methoxybenzoate
CAS 28200-88-6C26H30O4
![[(8R,9S,13S,14S,15R,16R,17R)-15,16,17-Trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 4-methoxybenzoate chemical structure, C26H30O6, CAS 3088028-02-5](/s/KSSNDNSQLRUUIT-KYXAJDSWSA-N.svg)
[(8R,9S,13S,14S,15R,16R,17R)-15,16,17-Trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 4-methoxybenzoate
CAS 3088028-02-5C26H30O6
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(OC1CCC2C(=CCC3C4CCCC4CCC23)C1)c1ccccc19 chemicals
C1=CC2C(C1)CCC1c3ccc(OCc4ccccc4)cc3CCC126 chemicals
c1ccc(COc2ccc3c(c2)CCC2C3CCC3CCCC32)cc12 chemicals
O=C(NC1CCC2C(CCC3C4CCCC4CCC23)C1)c1ccccc12 chemicals
O=C(Oc1ccc2c(c1)CC=C1C2CCC2C(=O)CCC12)c1ccccc11 chemical
O=C(OC1CCC2C(=CC=C3C4CCCC4CCC32)C1)c1ccccc11 chemical
O=C(NC1=CCC2C(CCC3C4CCCC4CCC23)C1=O)c1ccccc11 chemical
O=C1CCC2C1CCC1c3ccc(OCc4ccccc4)cc3CCC121 chemical
O=C(Oc1ccc2c(c1)CCC1C2CCC2C(=O)CCC21)c1ccccc11 chemical
c1ccc(ON=C2CCC3C(CCC4C5CCCC5CCC34)C2)cc11 chemical