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Murcko scaffold

Ring system with 4 rings and 22 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
9
With full pages
3
Scaffold SMILES

c1cc2c(cc1CCCCc1ccc3c(c1)OCO3)OCO2

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 c1cc2c(cc1CCCCc1ccc3c(c1)OCO3)OCO2

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 9 of 9 chemicals

Austrobailignan 5 chemical structure, C20H22O4, CAS 55890-23-8
Austrobailignan 5
CAS 55890-23-8C20H22O4
Dihydrocubebin chemical structure, C20H22O6, CAS 24563-03-9
Dihydrocubebin
CAS 24563-03-9C20H22O6
5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole chemical structure, C20H22O4, CAS 77150-81-3
5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
CAS 77150-81-3C20H22O4
1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, diacetate, (2R,3R)- chemical structure, C24H26O8, CAS 81410-43-7
1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, diacetate, (2R,3R)-
CAS 81410-43-7C24H26O8
Machilin A chemical structure, C20H22O4, CAS 110269-50-6
Machilin A
CAS 110269-50-6C20H22O4
Rhinacanthin F chemical structure, C23H24O9, CAS 190850-42-1
Rhinacanthin F
CAS 190850-42-1C23H24O9
1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, 1-acetate, (2R,3R)- chemical structure, C22H24O7, CAS 112448-60-9
1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, 1-acetate, (2R,3R)-
CAS 112448-60-9C22H24O7
Saucerneol I chemical structure, C20H22O6, CAS 1061273-62-8
Saucerneol I
CAS 1061273-62-8C20H22O6
Saucerneol H chemical structure, C20H22O6, CAS 1061273-60-6
Saucerneol H
CAS 1061273-60-6C20H22O6