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Murcko scaffold

Ring system with 8 rings and 39 atoms

6 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
39
Chemicals
6
With full pages
0
Scaffold SMILES

C1CCC(OC2CCOC(OC3CC4C(CCC5C6CC7(CCCCO7)OC6CC54)C4CCCCC34)C2)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(OC2CCOC(OC3CC4C(CCC5C6CC7(CCCCO7)OC6CC54)C4CCCCC34)C2)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 6 of 6 chemicals

Orb1680418 chemical structure, C38H62O12, CAS 184686-02-0
Orb1680418
CAS 184686-02-0C38H62O12
(3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-glucopyranoside chemical structure, C38H62O13, CAS 713144-09-3
(3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
CAS 713144-09-3C38H62O13
Torvoside D chemical structure, C38H62O13, CAS 20735-79-9
Torvoside D
CAS 20735-79-9C38H62O13
25-Epitorvoside D chemical structure, C38H62O13, CAS 1306729-49-6
25-Epitorvoside D
CAS 1306729-49-6C38H62O13
Orb1680416 chemical structure, C39H64O12, CAS 184686-01-9
Orb1680416
CAS 184686-01-9C39H64O12
(3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chemical structure, C39H64O13, CAS 185012-38-8
(3beta,5alpha,6alpha,23R,25S)-3,23-Dihydroxyspirostan-6-yl 6-deoxy-3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
CAS 185012-38-8C39H64O13