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Murcko scaffold

Ring system with 7 rings and 42 atoms

4 chemicals on CompoundList share this ring system.

Rings: 7
Scaffold atoms: 42
Chemicals: 4
With full pages: 1

Scaffold SMILES

C1=C2CC(OC3CCCCO3)CCC2C2CCC3C(CCCCOC4OCCCC4OC4CCCCO4)CCC3C2C1

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 C1=C2CC(OC3CCCCO3)CCC2C2CCC3C(CCCCOC4OCCCC4OC4CCCCO4)CCC3C2C1

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 4 of 4 chemicals

Mogroside III-E chemical structure, C48H82O19, CAS 88901-37-5

Mogroside III-E

CAS 88901-37-5C₄₈H₈₂O₁₉

(2R,3R,4S,5S,6R)-2-[[17-[5-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C48H82O18

(2R,3R,4S,5S,6R)-2-[[17-[5-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C₄₈H₈₂O₁₈

2-[[17-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol chemical structure, C48H82O18

2-[[17-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C₄₈H₈₂O₁₈

11-Deoxymogroside IIIE chemical structure, C48H82O18, CAS 1793003-47-0

11-Deoxymogroside IIIE

CAS 1793003-47-0C₄₈H₈₂O₁₈