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Murcko scaffold

Ring system with 6 rings and 20 atoms

22 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
20
Chemicals
22
With full pages
4
Scaffold SMILES

O=C1C2=CC3CC4COC(C3=O)C24Oc2ccccc21

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.

Substructure search with this scaffold
Murcko scaffold O=C1C2=CC3CC4COC(C3=O)C24Oc2ccccc21

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 22 of 22 chemicals

Gambogenic acid chemical structure, C38H46O8, CAS 173932-75-7
Gambogenic acid
CAS 173932-75-7C38H46O8
Desoxygambogenin chemical structure, C38H48O6, CAS 173614-93-2
Desoxygambogenin
CAS 173614-93-2C38H48O6
Isogambogenin chemical structure, C38H46O7, CAS 173938-23-3
Isogambogenin
CAS 173938-23-3C38H46O7
(Inverted exclamation markA)-forbesione chemical structure, C28H32O6, CAS 667914-50-3
(Inverted exclamation markA)-forbesione
CAS 667914-50-3C28H32O6
Bractatin chemical structure, C28H32O6, CAS 267668-10-0
Bractatin
CAS 267668-10-0C28H32O6
1-O-Methylbractatin chemical structure, C29H34O6, CAS 267890-97-1
1-O-Methylbractatin
CAS 267890-97-1C29H34O6
Gaudichaudione H chemical structure, C29H34O7, CAS 214491-41-5
Gaudichaudione H
CAS 214491-41-5C29H34O7
Forbesione chemical structure, C28H32O6, CAS 180961-63-1
Forbesione
CAS 180961-63-1C28H32O6
Cochinchinone C chemical structure, C24H26O6, CAS 876039-46-2
Cochinchinone C
CAS 876039-46-2C24H26O6
Gaudichaudic acid chemical structure, C33H38O8
Gaudichaudic acid
C33H38O8
Isogambogenic acid chemical structure, C38H46O8, CAS 887923-47-9
Isogambogenic acid
CAS 887923-47-9C38H46O8
Gaudichaudione A chemical structure, C33H38O7, CAS 208455-09-8
Gaudichaudione A
CAS 208455-09-8C33H38O7
Gaudichaudic acid chemical structure, C33H38O8, CAS 887923-46-8
Gaudichaudic acid
CAS 887923-46-8C33H38O8
Gaudichaudic acid chemical structure, C33H38O8
Gaudichaudic acid
C33H38O8
(Z)-4-[(1R,2R,13R,15S)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide chemical structure, C42H55NO8
(Z)-4-[(1R,2R,13R,15S)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide
C42H55NO8
Orb1709574 chemical structure, C42H55NO8, CAS 1385035-79-9
Orb1709574
CAS 1385035-79-9C42H55NO8
(E)-4-[7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide chemical structure, C42H55NO8
(E)-4-[7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide
C42H55NO8
4-[7-(3,7-Dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide chemical structure, C42H55NO8
4-[7-(3,7-Dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide
C42H55NO8
(Z)-4-[(1S,2R,13S,15R)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide chemical structure, C42H55NO8
(Z)-4-[(1S,2R,13S,15R)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide
C42H55NO8
Gaudichaudic acid chemical structure, C33H38O8
Gaudichaudic acid
C33H38O8
(E)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide chemical structure, C42H55NO8
(E)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide
C42H55NO8
4-[(1S,2S,13S,15R)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide chemical structure, C42H55NO8
4-[(1S,2S,13S,15R)-7-[(2E)-3,7-Dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-N-(2-ethoxyethyl)-2-methylbut-2-enamide
C42H55NO8