Murcko scaffold
Ring system with 5 rings and 27 atoms
443 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 27
- Chemicals
- 443
- With full pages
- 58
Scaffold SMILES
O=C1c2ccccc2C(=O)c2cc3c(cc21)CCCC3OC1CCCCO1
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 443 chemicals
3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
CAS 73610-99-8C27H29NO10
Daunorubicin
CAS 20830-81-3C27H29NO10
Doxorubicin
CAS 23214-92-8C27H29NO11
Trifluoroacetyladriamycin-14-valerate
CAS 136816-53-0C34H36F3NO13
Epirubicin
CAS 56420-45-2C27H29NO11
Idarubicin
CAS 58957-92-9C26H27NO9
Dihydrocarminomycin
CAS 62182-86-9C26H29NO10
4-Demethoxyadriamycin HCl
CAS 64363-63-9C26H27NO10
Leurubicin
CAS 70774-25-3C33H40N2O12
3'-Hydroxydaunorubicin
CAS 64842-75-7C27H28O11
N-Trifluoroacetyladriamycin
CAS 26295-56-7C29H28F3NO12
Daunomycin 3-oxime hydrochloride
CAS 34610-60-1C27H30N2O10
Rubomycin H
CAS 38942-79-9C29H31NO12
Adriamycin-14-octanoate
CAS 42077-25-8C35H43NO12
Doxorubicinol
CAS 54193-28-1C27H31NO11
(8S-Cis)-10-((3-amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
CAS 57819-79-1C27H29NO11
![N-[[1-[4-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]octanamide chemical structure, C35H45N3O11](/s/YFNRFXHHYCNVGO-UHFFFAOYSA-N.svg)
N-[[1-[4-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]octanamide
C35H45N3O11
![7-[(4S,5S,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione chemical structure, C27H31NO11, CAS 141434-67-5](/s/NKZRZOVSJNSBFR-CHSNQWSYSA-N.svg)
7-[(4S,5S,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS 141434-67-5C27H31NO11
N-Octanoyldaunorubicin
CAS 62327-70-2C35H43NO11
N-Palmitoyldaunorubicin
CAS 70655-78-6C43H59NO11
4'-O-Methyldoxorubicin
CAS 77121-90-5C28H31NO11
N-(L-Leucyl)-daunorubicin
C33H40N2O11
Iododoxorubicin
CAS 83997-75-5C27H28INO10
N-(Cyanomethyl)daunorubicin
CAS 103450-88-0C29H30N2O10
- Cyanomethyladriamycin103450-92-6C29H30N2O11
- N-(Carboxymethyl)daunorubicin103620-81-1C29H31NO12
- N-(Carbamoylmethyl)daunorubicin103620-82-2C29H32N2O11
- Galarubicin195612-80-7C30H32FNO13
- 1 suppliersAnnamycin92689-49-1C26H25IO11
- ME 2303116521-53-0C34H37FO15
- 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-7-((2,3,6-trideoxy-3-(dimethylamino)-3-C-methylhexopyranosyl)oxy)-205752-47-2C30H37NO11
- 4-O-Methyl-13-hydroxyoxaunomycin127995-99-7C27H31NO10
- N-(2-Hydroxyethyl)doxorubicin103851-20-3C29H33NO12
- 7-O-(2,6-Dideoxy-2-fluorotalopyranose)adriamycinone103930-51-4C27H27FO12
- 7-O-(2,6-Dideoxy-2-fluorotalopyranosyl)daunomycinone103946-11-8C27H27FO11
- 4-O-(Glucopyranosyl)-epsilon-rhodomycinone62720-19-8C28H30O14
- Baumycins64314-28-9C34H43NO13
- 3'-Epidaunorubicin66322-65-4C27H29NO10
- Alldimycin C94818-02-7C28H33NO10
- 3'-C-Methyldaunorubicin95087-05-1C28H31NO10
- 3'-Deamino-3'-hydroxydaunorubicin95405-79-1C27H28O11
- N-Ethyl-13-dihydrorubomycin70844-03-0C29H35NO10
- (9S)-7-[(2R,4S,5S,6S)-4-(Dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione94730-44-6C29H33NO11
- Iremycin75634-51-4C28H33NO9
- 10-Carboxy-13-deoxycarminomycin97583-07-8C27H29NO11
- 1-Hydroxyoxaunomycin145165-10-2C26H29NO11
- 6-Deoxyoxaunomycin145165-11-3C26H29NO9
- 4-Demethyl-6-O-methyldoxorubicin97777-78-1C27H29NO11
Related scaffolds
Same ring framework with different atoms or bond orders
