Murcko scaffold
Ring system with 5 rings and 21 atoms
38 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 21
- Chemicals
- 38
- With full pages
- 17
Scaffold SMILES
O=C1C=CC2CC3OC(=O)CC4C5CCC(C2C1)C34CO5
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 38 of 38 chemicals
Brusatol
CAS 14907-98-3C26H32O11
Isobrucein B
CAS 53663-03-9C23H28O11
Bruceolide
CAS 25514-28-7C21H26O10
Bruceanol B
CAS 101391-05-3C27H36O11
Picras-3-en-21-oic acid, 13,20-epoxy-11,12-dihydroxy-3,15-bis(3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
CAS 81610-86-8C31H38O12
12-Acetyl-3,15-disenecioyl bruceolide
CAS 81612-60-4C33H40O13
Bruceine A
CAS 25514-31-2C26H34O11
Methyl (11beta,12alpha,15beta)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
CAS 25514-29-8C23H28O11
Brusatol triacetate
CAS 14907-99-4C32H38O14
Dihydrobruceantin
CAS 41328-90-9C28H38O11
![Methyl 1,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate chemical structure, C26H34O11, CAS 57629-50-2](/s/NTBOLWMPXFGUHO-UHFFFAOYSA-N.svg)
Methyl 1,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
CAS 57629-50-2C26H34O11
Bruceine D
CAS 21499-66-1C20H26O9
Isobrucein A
C26H34O11
(+)-Simalikalactone D
CAS 35321-80-3C25H34O9
Bruceantin
CAS 41451-75-6C28H36O11
Methyl (11beta,12alpha,15beta)-15-(((2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl)oxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
CAS 53729-52-5C30H38O13
![(11beta,12alpha,15beta)-13,20-Epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxopicras-3-en-21-oic acid chemical structure, C28H36O12, CAS 25514-30-1](/s/KCVFVYXSNLKEHU-UIJGDLPGSA-N.svg)
(11beta,12alpha,15beta)-13,20-Epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxopicras-3-en-21-oic acid
CAS 25514-30-1C28H36O12
3-(3,4-Dimethyl-2-pentenoyl)bruceantin
CAS 76215-40-2C35H46O12
3-(3,4-Dimethyl-2-pentenoyl)bruceolide
CAS 76215-41-3C28H36O11
Bruceanol C
CAS 114586-21-9C31H38O13
15-(2(E)-Nonenoyl)bruceolide
CAS 111990-51-3C30H40O11
Bruceine H
CAS 95258-14-3C20H26O10
Yadanziolide C
CAS 95258-12-1C20H26O9
Samaderine E
CAS 64356-67-8C20H26O8
- Yadanziolide B95258-13-2C20H26O11
- Bruceine I130705-31-6C22H28O9
- Bruceine J948038-38-8C25H32O11
- Bruceantinol B948038-36-6C29H36O13
- Quassimarin59938-97-5C27H36O11
- Samaderine Z185950-80-5C20H26O8
- Bruceantin-5'-OL78338-24-6C28H36O12
- Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,11beta,12alpha,15beta)-152369-48-7C25H32O9
- Orb16801161822332-33-1C27H34O12
- (1R,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-Trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acidC27H34O12
- 10,15,16-Trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acidC27H34O12
- (3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-Trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acidC27H34O12
- 10,15,16-Trihydroxy-3-(4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acidC27H34O12
- ent-Simalikalactone D139756-43-7C25H34O9
Related scaffolds
Same ring framework with different atoms or bond orders
