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Murcko scaffold

Ring system with 10 rings and 51 atoms

8 chemicals on CompoundList share this ring system.

Rings
10
Scaffold atoms
51
Chemicals
8
With full pages
1
Scaffold SMILES

C1CCC(OC2CCCOC2OC2CCOC(OC3CCC4C(CCC5C4CCC4C6CCCOC67CC54CO7)C3)C2OC2CCCCO2)OC1

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 C1CCC(OC2CCCOC2OC2CCOC(OC3CCC4C(CCC5C4CCC4C6CCCOC67CC54CO7)C3)C2OC2CCCCO2)OC1

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 8 of 8 chemicals

Jujuboside B chemical structure, C52H84O21, CAS 55466-05-2
Jujuboside B
CAS 55466-05-2C52H84O21
Jujuboside B1 chemical structure, C52H84O21, CAS 68144-21-8
Jujuboside B1
CAS 68144-21-8C52H84O21
(3I(2),16I(2),23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-6-O-acetyl-I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranoside chemical structure, C54H86O22, CAS 194737-13-8
(3I(2),16I(2),23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-6-O-acetyl-I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranoside
CAS 194737-13-8C54H86O22
Jujuboside b1 chemical structure, C52H84O21
Jujuboside b1
C52H84O21
Jujuboside b1 chemical structure, C52H84O21
Jujuboside b1
C52H84O21
Jujuboside b1 chemical structure, C52H84O21
Jujuboside b1
C52H84O21
RefChem:318426 chemical structure, C51H82O21, CAS 55466-01-8
RefChem:318426
CAS 55466-01-8C51H82O21
(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5R)-4-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1R,2S,5S,7R,10S,11S,14S,15R,16R,18R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol chemical structure, C52H84O21
(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5R)-4-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1R,2S,5S,7R,10S,11S,14S,15R,16R,18R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
C52H84O21