Murcko scaffold
Ring system with 4 rings and 25 atoms
61 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 25
- Chemicals
- 61
- With full pages
- 25
Scaffold SMILES
C=C1CCCCC1=CC=C1CCCC2C(CC=CCC3CC3)CCC12
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 61 chemicals
![5-[2-[1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol chemical structure, C27H40O3, CAS 112828-00-9](/s/LWQQLNNNIPYSNX-UHFFFAOYSA-N.svg)
5-[2-[1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
CAS 112828-00-9C27H40O3
Calcipotriol
CAS 112965-21-6C27H40O3
![trans-(1R,3S,5Z)-5-[(2E)-2-[1-[(E,2R,5R)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol chemical structure, C27H40O3](/s/LWQQLNNNIPYSNX-VVAPROMRSA-N.svg)
trans-(1R,3S,5Z)-5-[(2E)-2-[1-[(E,2R,5R)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
C27H40O3
![trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol chemical structure, C27H40O3](/s/LWQQLNNNIPYSNX-OUSHRDKSSA-N.svg)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
C27H40O3
Calcipotriol, 24R-
CAS 112827-99-3C27H40O3
Calcipotriol, (5E)-
CAS 113082-99-8C27H40O3
ZK 168281
CAS 186371-96-0C32H46O5
ZK 159222
CAS 156965-15-0C32H48O5
(1R,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
CAS 910133-34-5C39H68O3Si2
Bis-TBDMS-trans-calcipotriol
CAS 112849-27-1C39H68O3Si2
(5E,24R)-Calcipotriene
CAS 112849-47-5C27H40O3
Calcipotriol EP impurity B
CAS 2948288-30-8C27H40O3
![trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrate chemical structure, C27H42O4](/s/XBKHACNRWFKJNC-XOLMQUHCSA-N.svg)
trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrate
C27H42O4
Calcipotriene hydrate
CAS 147657-22-5C27H42O4
![trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrate chemical structure, C27H42O4](/s/XBKHACNRWFKJNC-FCHYESIQSA-N.svg)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrate
C27H42O4
![5-[2-[(7aR)-1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol chemical structure, C27H40O3](/s/LWQQLNNNIPYSNX-HBOIQHEKSA-N.svg)
5-[2-[(7aR)-1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
C27H40O3
5,6-(E/Z)-Calcipotriol
CAS 910133-70-9C27H40O3
![(1S,3R,5Z,7E,14xi,22Z,24S)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-ol chemical structure, C39H68O3Si2](/s/DIMYHZDULFSWLS-ZUMMGNGFSA-N.svg)
(1S,3R,5Z,7E,14xi,22Z,24S)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-ol
C39H68O3Si2
24-Cyclopropyl-1alpha,3beta-bis(((1,1-dimethylethyl)dimethylsilyl)oxy)-9,10-secochola-5,7,10(19),22-tetraen-24-ol, (5Z,7E,22E,24S)-
CAS 112875-61-3C39H68O3Si2
(1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
C27H40O3
Impurity of calcipotriol
C39H68O3Si2
(1S,4S,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis(tert-butyldiMethylsilyloxy)-2-methylenecyclohe
CAS 134523-61-8C39H68O3Si2
![5-[2-[1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrate chemical structure, C27H42O4](/s/XBKHACNRWFKJNC-UHFFFAOYSA-N.svg)
5-[2-[1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrate
C27H42O4
Calcipotriol impurity 51
CAS 910133-69-6C39H68O3Si2
- (4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol565429-94-9C39H68O3Si2
- (22E)-(24R)-1alpha,24-Dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3/(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epicholecalciferolC27H40O3
- 1?-Calcipotriene934338-44-0C27H40O3
- Calcipotriol impurity 10C39H68O3Si2
- (5E,24R)-1,3-Bis-O-(tert-Butyldimethylsilyl)-calcipotriene112849-26-0C39H68O3Si2
- (E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(5R)-3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-olC39H68O3Si2
- cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diolC27H40O3
- trans-(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrateC27H42O4
- Impurity of calcipotriolC39H68O3Si2
- (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diolC27H40O3
- (1R)-5-[2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrateC27H42O4
- 24-Cycloproyply-1,3-bis[[(1,1-dimethylethyl)dimethylsily]oxy]-9,10-secochola-5,7,10(19),22-tetraen-24-olC39H68O3Si2
- trans-(1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diolC27H40O3
- Impurity of calcipotriolC39H68O3Si2
- 5-[2-[1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol1254716-90-9C81H120O9
- (1R,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-yl acetate565429-95-0C41H70O4Si2
- 1 suppliers(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1a,3b,24-triolC27H42O4
- 2-Propenoic acid, 3-[1-[(1I+/-,3I(2),5Z,7E,22E,24S)-1,3,24-trihydroxy-9,10-secochola-5,7,10(19),22-tetraen-24-yl]cyclopropyl]-, ethyl ester, (2E)-186371-97-1C32H46O5
- trans-(1R,3S,5Z)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrateC27H42O4
- 24-Cycloproyply-1,3-bis[[(1,1-dimethylethyl)dimethylsily]oxy]-9,10-secochola-5,7,10(19),22-tetraen-24-olC39H68O3Si2
- 1H-Indene, 4-[(2Z)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]-1-[(1R,2E,4S)-4-cyclopropyl-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-methyl-2-buten-1-yl]octahydro-7a-methyl-, (1R,3aS,4E,7aR)-1523075-60-6C45H82O3Si3
- trans-(1R,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, hydrateC27H42O4
- (1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-olC39H68O3Si2
- Calcipotriol impurity 51112910-41-5C39H68O3Si2