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Murcko scaffold

Ring system with 6 rings and 39 atoms

11 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
39
Chemicals
11
With full pages
2
Scaffold SMILES

O=c1c(OC2CCCC(COC3CC(OC4CCCCO4)CCO3)O2)c(-c2ccccc2)oc2ccccc12

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(OC2CCCC(COC3CC(OC4CCCCO4)CCO3)O2)c(-c2ccccc2)oc2ccccc12

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 11 of 11 chemicals

Xanthorhamnin chemical structure, C34H42O20, CAS 75183-90-3
Xanthorhamnin
CAS 75183-90-3C34H42O20
Quercetin 3-glucosyl(1-3)rhamnosyl(1-6)galactoside chemical structure, C33H40O21, CAS 134953-93-8
Quercetin 3-glucosyl(1-3)rhamnosyl(1-6)galactoside
CAS 134953-93-8C33H40O21
Catharticin chemical structure, C34H42O19, CAS 39723-40-5
Catharticin
CAS 39723-40-5C34H42O19
Kaempferol 3-O-beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside chemical structure, C33H40O20, CAS 136449-09-7
Kaempferol 3-O-beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
CAS 136449-09-7C33H40O20
Camellianoside chemical structure, C32H38O20, CAS 926664-29-1
Camellianoside
CAS 926664-29-1C32H38O20
Kaempferol 3-O-rhamninoside chemical structure, C33H40O19, CAS 83170-31-4
Kaempferol 3-O-rhamninoside
CAS 83170-31-4C33H40O19
Flavovilloside chemical structure, C33H40O20, CAS 83170-32-5
Flavovilloside
CAS 83170-32-5C33H40O20
Kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->3)-(4-O-acetyl)-O-alpha-L-rhamnopyranosyl(1->6)-O-beta-D-galactopyranoside] chemical structure, C35H42O20, CAS 154623-30-0
Kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->3)-(4-O-acetyl)-O-alpha-L-rhamnopyranosyl(1->6)-O-beta-D-galactopyranoside]
CAS 154623-30-0C35H42O20
Compound NP-022935 chemical structure, C33H40O21, CAS 136449-10-0
Compound NP-022935
CAS 136449-10-0C33H40O21
Orb2893195 chemical structure, C37H44O21, CAS 1340600-30-7
Orb2893195
CAS 1340600-30-7C37H44O21
3-[(O-6-Deoxy-I+/--L-mannopyranosyl-(1a3)-O-6-deoxy-I+/--L-mannopyranosyl-(1a6)-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one chemical structure, C34H42O20, CAS 122342-15-8
3-[(O-6-Deoxy-I+/--L-mannopyranosyl-(1a3)-O-6-deoxy-I+/--L-mannopyranosyl-(1a6)-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS 122342-15-8C34H42O20