Murcko scaffold
Ring system with 3 rings and 17 atoms
28 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 17
- Chemicals
- 28
- With full pages
- 4
Scaffold SMILES
C(=CC1=CCCC2CCCC12)C1=CCCCC1
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 28 of 28 chemicals
Previtamin D3
CAS 1173-13-3C27H44O
Tachysterol3
CAS 17592-07-3C27H44O
(6Z)-(1S,3R,14R)-9,10-Seco-5(10),6,8-cholestatriene-1,3,25-triol
CAS 157380-27-3C27H44O3
1,25-Dihydroxy-previtamin D(3)
CAS 57102-09-7C27H44O3
1-Hydroxyprevitamin D3
CAS 41461-13-6C27H44O2
Previtamin D2
CAS 21307-05-1C28H44O
Tachysterol
CAS 9061-77-2C28H44O
1,25-Dihydroxy-19-norprevitamin D3
CAS 144699-06-9C26H42O3
(1?,3?,6Z)-9,10-Secocholesta-5(10),6,8-triene-1,3,25-triol
CAS 66760-29-0C27H44O3
(1R,3S)-4-Methyl-5-((E)-2-((1R,3aR,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)cyclohex-4-ene-1,3-diol
C27H44O2
Maxacalcitol impurity 11
CAS 142785-55-5C26H42O4
1-Hydroxyprevitamin D3 diacetate
CAS 54712-17-3C31H48O4
Eldecalcitol (pre-form)
CAS 201854-22-0C30H50O5
1alpha-HydroxyprevitaMin D2
CAS 127264-18-0C28H44O2
24-Dehydroprevitamin D3
CAS 70574-97-9C27H42O
(S)-3-((E)-2-((1R,3aR,7aR)-1-((2R,5S,E)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-3-en-1-ol
CAS 512165-91-2C28H44O2
25-Hydroxytachysterol 3
CAS 39932-44-0C27H44O2
Calcitriol impurity 31
CAS 96862-25-8C27H44O3
![(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-Hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol chemical structure, C27H44O2, CAS 23357-18-8](/s/UVVWRMXOHIVZBN-ZIWYXPTCSA-N.svg)
(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-Hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
CAS 23357-18-8C27H44O2
Eldecalcitol N1
CAS 2767262-86-0C30H50O5
Pre-doxercalciferol
C28H44O2
Pre-vitamin D3 octanoate (>80%)
CAS 927822-17-1C35H58O2
Pre-vitamin D3 decanoate
CAS 927822-18-2C37H62O2
4-Methyl trans-Doxercalciferol
CAS 1818286-63-3C28H44O2
- Alfacalcidol impurity 112559769-58-1C27H42O2
- Calcitriol impurity 33104651-70-9C27H44O2
- [(1S)-3-[2-[(1R,3aR,7aR)-7a-Methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-yl] octanoateC35H58O2
- [(1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-Methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-yl] octanoateC35H58O2
Related scaffolds
Same ring framework with different atoms or bond orders
C=C1CCCCC1=CC=C1CCCC2CCCC12123 chemicals![Scaffold c1ccc(CNc2ncnc3[nH]cnc23)cc1](/scaffold/NWBJYWHLCVSVIJ-UHFFFAOYSA-N/structure.svg)
c1ccc(CNc2ncnc3[nH]cnc23)cc130 chemicals![Scaffold c1ccc(CSc2ncnc3nc[nH]c23)cc1](/scaffold/ULIQGBPQLPCTAJ-UHFFFAOYSA-N/structure.svg)
c1ccc(CSc2ncnc3nc[nH]c23)cc126 chemicals
c1ccc(CNc2ncnc3sccc23)cc114 chemicals![Scaffold c1ccc(CNc2ncnc3[nH]ncc23)cc1](/scaffold/NNSLOBNGHHXORI-UHFFFAOYSA-N/structure.svg)
c1ccc(CNc2ncnc3[nH]ncc23)cc113 chemicals![Scaffold c1ccc(COc2cccc3[nH]ccc23)cc1](/scaffold/LJFVSIDBFJPKLD-UHFFFAOYSA-N/structure.svg)
c1ccc(COc2cccc3[nH]ccc23)cc110 chemicals
O=C(Nc1cccc2nsnc12)c1ccccc19 chemicals
O=S(=O)(Nc1ccccc1)c1cccc2nsnc129 chemicals
c1ccc(OCc2ccnc3ncnn23)cc19 chemicals![Scaffold c1ccc(COc2cccc3cc[nH]c23)cc1](/scaffold/DIGZMTAFOACVBW-UHFFFAOYSA-N/structure.svg)
c1ccc(COc2cccc3cc[nH]c23)cc16 chemicals
c1ccc(COc2cccn3ccnc23)cc16 chemicals![Scaffold O=S(=O)(Nc1cccc2[nH]cnc12)c1ccccc1](/scaffold/PUYYETOVWXXCGJ-UHFFFAOYSA-N/structure.svg)
O=S(=O)(Nc1cccc2[nH]cnc12)c1ccccc16 chemicals