Murcko scaffold
Ring system with 3 rings and 18 atoms
570 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 18
- Chemicals
- 570
- With full pages
- 123
Scaffold SMILES
C=C1CCCCC1=CC=C1CCCC2CCCC12
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 48 of 570 chemicals
24, 25-Dihydroxy VD3
C27H44O3
9,10-Secocholesta-5,7,10-triene-3,25-diol
C27H44O2
![5-[2-[1-(1,5-Dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol chemical structure, C27H44O2](/s/OFHCOWSQAMBJIW-UHFFFAOYSA-N.svg)
5-[2-[1-(1,5-Dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
C27H44O2
![5-[2-[1-(5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol chemical structure, C27H44O3](/s/GMRQFYUYWCNGIN-UHFFFAOYSA-N.svg)
5-[2-[1-(5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
C27H44O3
9,10-Secocholesta-5,7,10-trien-3-ol
CAS 3965-99-9C27H44O
Npc67059
C28H44O
![5-[2-[1-[1-(3-Hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol chemical structure, C26H42O4, CAS 1217872-70-2](/s/DTXXSJZBSTYZKE-UHFFFAOYSA-N.svg)
5-[2-[1-[1-(3-Hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CAS 1217872-70-2C26H42O4
![(1S)-3-[2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-Dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol chemical structure, C28H44O](/s/MECHNRXZTMCUDQ-FWTXJDITSA-N.svg)
(1S)-3-[2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-Dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
C28H44O
![(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-Methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3A,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol chemical structure, C27H44O](/s/QYSXJUFSXHHAJI-RWDMXNMGSA-N.svg)
(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-Methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3A,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
C27H44O
Calcitriol impurities A
C27H44O3
Calcitriol
CAS 32222-06-3C27H44O3
Ergocalciferol
CAS 50-14-6C28H44O
Vitamin D3
CAS 67-97-0C27H44O
Doxercalciferol
CAS 54573-75-0C28H44O2
Alfacalcidol
CAS 41294-56-8C27H44O2
Falecalcitriol
CAS 83805-11-2C27H38F6O3
Calcifediolmonohydrate
C27H46O3
(5Z,7E)-(1S,3R)-9,10-Seco-5,7,10(19),24-cholestatetraene-1,3-diol
CAS 67869-32-3C27H42O2
25-Hydroxy-24-oxocalciol
CAS 74886-61-6C27H42O3
1,24-Dihydroxy-22-dehydrovitamin D3
CAS 95270-41-0C27H42O3
(1S)-1,25-Dihydroxy-24-oxocalciol
CAS 76338-50-6C27H42O4
Epicholecalciferol
CAS 57651-82-8C27H44O
trans-Vitamin D3
CAS 22350-41-0C27H44O
1alpha-Hydroxy-3-epi-vitamin D3
CAS 58028-00-5C27H44O2
- 1 suppliers1alpha-Hydroxy-5,6-trans-vitamin D365445-14-9C27H44O2
- 2 suppliers1beta-Hydroxyvitamin D3/1beta-hydroxycholecalciferol63181-13-5C27H44O2
- Calcitriol impurity 1065445-15-0C27H44O2
- (5Z,7E)-(3S,24R)-9,10-Seco-5,7,10(19)-cholestatriene-3,24-diol56720-87-7C27H44O2
- 66 suppliers25-Hydroxyvitamin D319356-17-3C27H44O2
- 13 suppliersTacalcitol57333-96-7C27H44O3
- (24S)-1Alpha,24-dihydroxyvitamin D3/(24S)-1alpha,24-dihydroxycholecalciferol57333-95-6C27H44O3
- 1 suppliers(1S)-Calcitriol61476-45-7C27H44O3
- Calcitriol impurity 25134523-84-5C27H44O3
- 10 suppliers(5E)-1Alpha,25-dihydroxyvitamin D3 / (5E)-1alpha,25-dihydroxycholecalciferol73837-24-8C27H44O3
- 1 suppliers1beta-Calcitriol66791-71-7C27H44O3
- (5Z,7E)-(1R,3S)-9,10-Seco-5,7,10(19)-cholestatriene-1,3,25-triol96614-28-7C27H44O3
- 6 suppliersSecalciferol55721-11-4C27H44O3
- (24S)-24,25-Dihydroxyvitamin D355700-58-8C27H44O3
- (5Z,7E)-(1S,3R,24S)-9,10-Seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol56142-95-1C27H44O4
- 1,25,26-Trihydroxyvitamin D377372-59-9C27H44O4
- 1,23,25,26-Tetrahydroxyvitamin D3100634-18-2C27H44O5
- (23R)-1Alpha,23,25-trihydroxyvitamin D3/(23R)-1alpha,23,25-trihydroxycholecalciferol122619-92-5C27H44O4
- 1 suppliers1alpha-Hydroxypregnacalciferol1279049-53-4C27H44O2
- 7 suppliersSeocalcitol134404-52-7C30H46O3
- 2 suppliersLexacalcitol131875-08-6C29H48O4
- Npc178317C28H44O
- (24S)-SecalciferolC27H44O3
- 1 suppliersDedrogylC27H44O2
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