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Murcko scaffold

Ring system with 3 rings and 11 atoms

15 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 11
Chemicals: 15
With full pages: 8

Scaffold SMILES

C1CCC2(CO2)C(C2CO2)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 C1CCC2(CO2)C(C2CO2)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 15 of 15 chemicals

Agm 1883 chemical structure, C17H27NO5, CAS 129299-06-5

CAS 129299-06-5C₁₇H₂₇NO₅

Fumagillol chemical structure, C16H26O4, CAS 108102-51-8

CAS 108102-51-8C₁₆H₂₆O₄

Lodamin chemical structure, C19H28ClNO6, CAS 129298-91-5

CAS 129298-91-5C₁₉H₂₈ClNO₆

(3S,4R,5R,6S)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-ol chemical structure, C16H26O4, CAS 35903-52-7

(3S,4R,5R,6S)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-ol

CAS 35903-52-7C₁₆H₂₆O₄

Fumagillin chemical structure, C26H34O7, CAS 23110-15-8

CAS 23110-15-8C₂₆H₃₄O₇

Ppi-2458 chemical structure, C22H36N2O6, CAS 431077-35-9

CAS 431077-35-9C₂₂H₃₆N₂O₆

FR 111142 chemical structure, C22H34O7, CAS 132340-44-4

CAS 132340-44-4C₂₂H₃₄O₇

FR 65814 chemical structure, C15H24O4, CAS 103470-60-6

CAS 103470-60-6C₁₅H₂₄O₄

5-Demethoxyfumagillol chemical structure, C15H24O3, CAS 251116-13-9

5-Demethoxyfumagillol

CAS 251116-13-9C₁₅H₂₄O₃

(3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)octan-6-amine chemical structure, C16H27NO3, CAS 132746-71-5

(3R,4S,5S,6R)-5-Methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)octan-6-amine

CAS 132746-71-5C₁₆H₂₇NO₃

4-[2-Methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol chemical structure, C15H24O3, CAS 189561-25-9

4-[2-Methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol

CAS 189561-25-9C₁₅H₂₄O₃

[(3R,4S,5S,6R)-5-Methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 2-aminoacetate chemical structure, C18H29NO5, CAS 1227266-32-1

[(3R,4S,5S,6R)-5-Methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 2-aminoacetate

CAS 1227266-32-1C₁₈H₂₉NO₅

Bicyclohexylammonium fumagillin chemical structure, C38H57NO7, CAS 41567-78-6

Bicyclohexylammonium fumagillin

CAS 41567-78-6C₃₈H₅₇NO₇

2,4,6,8-Decatetraenedioic acid, 1-[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl] ester, sodium salt (1:1), (2E,4E,6E,8E)- chemical structure, C26H34NaO7, CAS 127913-45-5

2,4,6,8-Decatetraenedioic acid, 1-[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl] ester, sodium salt (1:1), (2E,4E,6E,8E)-

CAS 127913-45-5C₂₆H₃₄NaO₇

Orb3141684 chemical structure, C27H36O7, CAS 301823-84-7

CAS 301823-84-7C₂₇H₃₆O₇