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Murcko scaffold

Ring system with 7 rings and 28 atoms

176 chemicals on CompoundList share this ring system.

Rings: 7
Scaffold atoms: 28
Chemicals: 176
With full pages: 15

Scaffold SMILES

O=C(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

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(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

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 48 of 176 chemicals

Mild aconitate chemical structure, C34H47NO11, CAS 8006-38-0

CAS 8006-38-0C₃₄H₄₇NO₁₁

Mesaconitine hydrobromide chemical structure, C33H46BrNO11

Mesaconitine hydrobromide

C₃₃H₄₆BrNO₁₁

3-Acetylaconitine, hydrobromide chemical structure, C36H50BrNO12, CAS 78600-25-6

3-Acetylaconitine, hydrobromide

CAS 78600-25-6C₃₆H₅₀BrNO₁₂

Ludaconitine diacetate chemical structure, C36H49NO11, CAS 82144-73-8

Ludaconitine diacetate

CAS 82144-73-8C₃₆H₄₉NO₁₁

Diacetylindaconitine chemical structure, C38H51NO12, CAS 82144-74-9

Diacetylindaconitine

CAS 82144-74-9C₃₈H₅₁NO₁₂

Delphinine chemical structure, C33H45NO9, CAS 561-07-9

CAS 561-07-9C₃₃H₄₅NO₉

Delavaconitine chemical structure, C29H39NO6, CAS 1356-52-1

CAS 1356-52-1C₂₉H₃₉NO₆

Szechenyine chemical structure, C36H51NO11, CAS 96562-88-8

CAS 96562-88-8C₃₆H₅₁NO₁₁

Tuberanine chemical structure, C35H47NO12, CAS 121897-29-8

CAS 121897-29-8C₃₅H₄₇NO₁₂

Crassicausine chemical structure, C34H49NO9, CAS 109305-85-3

CAS 109305-85-3C₃₄H₄₉NO₉

Crassicautine chemical structure, C34H49NO10, CAS 109333-61-1

CAS 109333-61-1C₃₄H₄₉NO₁₀

[11-Ethyl-5,8-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate chemical structure, C33H47NO9, CAS 91794-14-8

[11-Ethyl-5,8-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

CAS 91794-14-8C₃₃H₄₇NO₉

8-Acetyl-14-benzoylchasmanine chemical structure, C34H47NO8, CAS 4296-54-2

8-Acetyl-14-benzoylchasmanine

CAS 4296-54-2C₃₄H₄₇NO₈

Aconitine chemical structure, C34H47NO11, CAS 302-27-2

CAS 302-27-2C₃₄H₄₇NO₁₁

Gadenine chemical structure, C30H41NO8, CAS 89384-03-2

CAS 89384-03-2C₃₀H₄₁NO₈

Aconifine chemical structure, C34H47NO12, CAS 41849-35-8

CAS 41849-35-8C₃₄H₄₇NO₁₂

Bikhaconitine chemical structure, C36H51NO11, CAS 6078-26-8

CAS 6078-26-8C₃₆H₅₁NO₁₁

Delphinine chemical structure, C33H45NO9

C₃₃H₄₅NO₉

Deoxymesaconitine chemical structure, C33H45NO10, CAS 1279219-91-8

Deoxymesaconitine

CAS 1279219-91-8C₃₃H₄₅NO₁₀

Indaconitine chemical structure, C34H47NO10

C₃₄H₄₇NO₁₀

Pseudaconitine chemical structure, C36H51NO12, CAS 127-29-7

CAS 127-29-7C₃₆H₅₁NO₁₂

8-(Acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 3,4-dimethoxybenzoate chemical structure, C36H51NO12, CAS 1369-10-4

8-(Acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 3,4-dimethoxybenzoate

CAS 1369-10-4C₃₆H₅₁NO₁₂

Contortumine chemical structure, C30H41NO6, CAS 131653-96-8

CAS 131653-96-8C₃₀H₄₁NO₆

8-(Acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate chemical structure, C34H47NO9, CAS 47848-42-0

8-(Acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate

CAS 47848-42-0C₃₄H₄₇NO₉