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Murcko scaffold

Ring system with 6 rings and 32 atoms

17 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
32
Chemicals
17
With full pages
3
Scaffold SMILES

O=C(C=Cc1ccccc1)OC1CCC2C(CCC3C2CCC2C4CCCC4CCC23)C1

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)OC1CCC2C(CCC3C2CCC2C4CCCC4CCC23)C1

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 17 of 17 chemicals

Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate chemical structure, C39H56O2, CAS 65883-50-3
Lup-20(29)-en-3beta-yl 3-phenylprop-2-enoate
CAS 65883-50-3C39H56O2
Lupeol trans-cinnamate chemical structure, C39H56O2, CAS 66609-69-6
Lupeol trans-cinnamate
CAS 66609-69-6C39H56O2
Pyracrenic acid chemical structure, C39H54O6, CAS 80832-44-6
Pyracrenic acid
CAS 80832-44-6C39H54O6
Betulin-3-caffeate chemical structure, C39H56O5, CAS 89130-86-9
Betulin-3-caffeate
CAS 89130-86-9C39H56O5
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (3beta)-lup-20(29)-en-3-yl ester, (2E)- chemical structure, C40H58O4, CAS 816429-13-7
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (3beta)-lup-20(29)-en-3-yl ester, (2E)-
CAS 816429-13-7C40H58O4
3-O-trans-p-Coumaroylalphitolic acid chemical structure, C39H54O6, CAS 67911-62-0
3-O-trans-p-Coumaroylalphitolic acid
CAS 67911-62-0C39H54O6
3-(Z)-Caffeoyllupeol chemical structure, C39H56O4, CAS 103917-25-5
3-(Z)-Caffeoyllupeol
CAS 103917-25-5C39H56O4
3-O-(E)-p-Coumaroylbetulin chemical structure, C39H56O4, CAS 144424-80-6
3-O-(E)-p-Coumaroylbetulin
CAS 144424-80-6C39H56O4
RefChem:1048814 chemical structure, C39H56O4, CAS 103917-26-6
RefChem:1048814
CAS 103917-26-6C39H56O4
Lupeol caffeate chemical structure, C39H56O4
Lupeol caffeate
C39H56O4
Lupeol caffeate chemical structure, C39H56O4
Lupeol caffeate
C39H56O4
Lupeol caffeate chemical structure, C39H56O4
Lupeol caffeate
C39H56O4
3beta-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-2alpha-hydroxylup-20(29)-en-28-oic acid chemical structure, C39H54O7, CAS 182682-96-8
3beta-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-2alpha-hydroxylup-20(29)-en-28-oic acid
CAS 182682-96-8C39H54O7
Lup-20(29)-en-3-ol, 3-(3,4-dihydroxyphenyl)-2-propenoate, [3beta(E)]- chemical structure, C39H56O4
Lup-20(29)-en-3-ol, 3-(3,4-dihydroxyphenyl)-2-propenoate, [3beta(E)]-
C39H56O4
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (3beta,19epsilon)-lup-20(29)-en-3-yl ester, (2E)- chemical structure, C40H58O4
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (3beta,19epsilon)-lup-20(29)-en-3-yl ester, (2E)-
C40H58O4
Lupeol caffeate chemical structure, C39H56O4
Lupeol caffeate
C39H56O4
Lupeol caffeate chemical structure, C39H56O4
Lupeol caffeate
C39H56O4