Murcko scaffold
Ring system with 4 rings and 40 atoms
75 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 40
- Chemicals
- 75
- With full pages
- 28
Scaffold SMILES
O=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C=CC2CCCCC2)CCC1
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 75 chemicals
Ascomycin (FK520)
CAS 11011-38-4C43H69NO12
Tacrolimus
CAS 104987-11-3C44H69NO12
![(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone, hydrate chemical structure, C44H71NO13](/s/NWJQLQGQZSIBAF-AKQGVWDBSA-N.svg)
(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone, hydrate
C44H71NO13
Ascomycin
CAS 104987-12-4C43H69NO12
Tacrolimus hydrate
CAS 109581-93-3C44H71NO13
![17-Ethyl-1,14-dihydroxy-12-[2'-(4''-hydroxy-3''-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone chemical structure, C43H69NO12](/s/ZDQSOHOQTUFQEM-PKUCKEGBSA-N.svg)
17-Ethyl-1,14-dihydroxy-12-[2'-(4''-hydroxy-3''-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone
C43H69NO12
RefChem:1049478
CAS 104987-09-9C42H67NO12
13-O-Desmethylascomycin
CAS 153781-48-7C42H67NO12
13,15-O-Bidesmethylascomycin
CAS 153781-49-8C41H65NO12
31-O-Demethyl-FK506
CAS 135635-47-1C43H67NO12
15-O-Desmethylascomycin
CAS 141170-83-4C42H67NO12
![Ethyl-dihydroxy-[(E)-2-[(1S,3R,4S)-4-hydroxy-3-methoxy-cyclohexyl]-1-methyl-vinyl]-dimethoxy-tetramethyl-[?]tetrone chemical structure, C43H69NO12](/s/ZDQSOHOQTUFQEM-BFFCMSJVSA-N.svg)
Ethyl-dihydroxy-[(E)-2-[(1S,3R,4S)-4-hydroxy-3-methoxy-cyclohexyl]-1-methyl-vinyl]-dimethoxy-tetramethyl-[?]tetrone
C43H69NO12
Ascomycin, Streptomyces hygroscopicus
C43H69NO12
Pimecrolimus
CAS 137071-32-0C43H68ClNO11
![17-Ethyl-1,14-dihydroxy-12-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone chemical structure, C43H69NO12, CAS 135635-46-0](/s/ZDQSOHOQTUFQEM-RJYATFDOSA-N.svg)
17-Ethyl-1,14-dihydroxy-12-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
CAS 135635-46-0C43H69NO12
Tacrolimus EP impurity A
C43H69NO12
FK-1706
CAS 124554-37-6C44H69NO13
Demethomycin
CAS 127984-76-3C43H67NO12
24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506
C56H97NO12Si2
21-Ethylascomycin
CAS 376376-01-1C44H71NO12
Tacrolimus anhydrous 8-epimer
CAS 129212-35-7C44H69NO12
Tacrolimus anhydrous 19-epimer
CAS 144490-63-1C44H69NO12
Dihydro-FK-506
CAS 104987-30-6C44H71NO12
Tacrolimusmonohydrate
C44H71NO13
- Fujimycin monohydrate, FR900506 monohydrate, FK506 monohydrateC44H71NO13
- 1,14-Dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone, hydrateC44H71NO13
- Tacrolimus impurity 34135635-50-6C44H69NO11
- FK-506 3'-Methyl etherC45H71NO12
- FK-506 3'-Methyl etherC45H71NO12
- (1R,9S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone, hydrateC44H71NO13
- 24,33-Bis-O-(tert-butyldimethylsilyl)-37,38-dehydro-37,38-dihydroxy Tacrolimus1356932-17-6C56H99NO14Si2
- 37-Desmethylene 24,33-Bis-O-(tert-butyldimethylsilyl)-37-oxo-FK-506155684-96-1C55H95NO13Si2
- FK-506 3'-Methyl ether124554-16-1C45H71NO12
- 24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506133941-75-0C56H97NO12Si2
- 24,32-Bis-o-(tert-butyldimethylsilyl)-fk-506-13C, d2C56H97NO12Si2
- Orb22807321356841-89-8C44H69NO12
- Pimecrolimus hydrate(1:x)C43H70ClNO12
- Orb3174117146877-36-3C45H70N4O10
- Pimecrolimus hydrate1000802-56-1C43H70ClNO12
- Tacrolimus impurity 22151039-41-7C43H67NO12
- Orb3213588137712-89-1C43H69NO11
- 24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506-13C, D2 (Major)1356352-20-9C56H97NO12Si2
- FK-506-13C,D2 (major) (tacrolimus)C44H69NO12
- (1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-Dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone, hydrateC44H71NO13
- (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-3,4-Dimethoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneC45H71NO12
- FK-506-13C,D2 (Major) (Tacrolimus)(>85per cent)C44H69NO12
- 24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506C56H97NO12Si2
- RefChem:924327143839-74-1C43H69NO13
Related scaffolds
Same ring framework with different atoms or bond orders
