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Murcko scaffold

Ring system with 7 rings and 33 atoms

10 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
33
Chemicals
10
With full pages
1
Scaffold SMILES

O=C1C=CCC=C2CC3(CCO2)OC3C(=O)OCC23CCC=CC2OC2CC(O1)C3C21CO1

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=C1C=CCC=C2CC3(CCO2)OC3C(=O)OCC23CCC=CC2OC2CC(O1)C3C21CO1

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 10 of 10 chemicals

Satratoxin H, 6',7'-didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydro chemical structure, C27H32O9, CAS 99499-16-8
Satratoxin H, 6',7'-didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydro
CAS 99499-16-8C27H32O9
Spiro[10,12:19,22a-dimethano-4H,5H,22aH-oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-11(10H),2'-oxirane]-2,14(1aH,17H)-dione, 6-(acetyloxy)-6,8a,11a,12,21,22-hexahydro-23-hydroxy-7,11a-dimethyl-, (1aS,2'S,4aR,6S,8aR,10R,11aS,12R,15Z,18Z,22aR,23S)- chemical structure, C29H34O11
Spiro[10,12:19,22a-dimethano-4H,5H,22aH-oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-11(10H),2'-oxirane]-2,14(1aH,17H)-dione, 6-(acetyloxy)-6,8a,11a,12,21,22-hexahydro-23-hydroxy-7,11a-dimethyl-, (1aS,2'S,4aR,6S,8aR,10R,11aS,12R,15Z,18Z,22aR,23S)-
C29H34O11
Myrotoxin B chemical structure, C29H34O11, CAS 99486-49-4
Myrotoxin B
CAS 99486-49-4C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,17R,20Z,23E)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate chemical structure, C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,17R,20Z,23E)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate
C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,16S,17R,20Z,23E,28S)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate chemical structure, C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,16S,17R,20Z,23E,28S)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate
C29H34O11
[(16S)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate chemical structure, C29H34O11
[(16S)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate
C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,16S,17R,28S)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate chemical structure, C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,16S,17R,28S)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate
C29H34O11
[(14R,16S,20Z,23Z)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate chemical structure, C29H34O11
[(14R,16S,20Z,23Z)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate
C29H34O11
Orb1695986 chemical structure, C29H34O11
Orb1695986
C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,17R,20Z)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate chemical structure, C29H34O11
[(1R,3S,7R,9S,12R,14R,15S,17R,20Z)-28-Hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate
C29H34O11