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Murcko scaffold

Ring system with 6 rings and 34 atoms

10 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
34
Chemicals
10
With full pages
1
Scaffold SMILES

O=C(C=Cc1ccccc1)OCC12CCC3CCCCC3C1=CCC1C3CCCCC3CCC12

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=C(C=Cc1ccccc1)OCC12CCC3CCCCC3C1=CCC1C3CCCCC3CCC12

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 10 of 10 chemicals

10-Hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid chemical structure, C39H54O6
10-Hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
C39H54O6
Uncarinic acid E chemical structure, C39H54O6, CAS 277751-61-8
Uncarinic acid E
CAS 277751-61-8C39H54O6
27-p-Coumaroyloxyursolic acid chemical structure, C39H54O6, CAS 73584-67-5
27-p-Coumaroyloxyursolic acid
CAS 73584-67-5C39H54O6
Myriceric acid B chemical structure, C39H54O7, CAS 55497-79-5
Myriceric acid B
CAS 55497-79-5C39H54O7
(1S,2R,4aS,6aR,6aR,6bR,10S,12aR,14bS)-10-Hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid chemical structure, C39H54O6
(1S,2R,4aS,6aR,6aR,6bR,10S,12aR,14bS)-10-Hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
C39H54O6
Urs-12-en-28-oic acid, 3-hydroxy-27-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3|?)- chemical structure, C39H54O6
Urs-12-en-28-oic acid, 3-hydroxy-27-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3|?)-
C39H54O6
Uncarinic acid B chemical structure, C40H56O7, CAS 238748-74-8
Uncarinic acid B
CAS 238748-74-8C40H56O7
(1R,2S,4aR,6aS,6aS,6bS,10R,12aS,14bR)-10-Hydroxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid chemical structure, C39H54O6
(1R,2S,4aR,6aS,6aS,6bS,10R,12aS,14bR)-10-Hydroxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
C39H54O6
3 beta-Hydroxy-27-p-E-coumaroyloxyurs-12-en-28-oic acid chemical structure, C39H54O6
3 beta-Hydroxy-27-p-E-coumaroyloxyurs-12-en-28-oic acid
C39H54O6
Orb1683702 chemical structure, C39H54O6
Orb1683702
C39H54O6