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Murcko scaffold

Ring system with 3 rings and 28 atoms

13 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 28
Chemicals: 13
With full pages: 6

Scaffold SMILES

O=C(C=Cc1ccccc1)OC1CCCCC1OC(=O)C=Cc1ccccc1

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)OC1CCCCC1OC(=O)C=Cc1ccccc1

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 13 of 13 chemicals

(1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid chemical structure, C25H24O12, CAS 102851-07-0

(1S,3R,4R,5R)-3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

CAS 102851-07-0C₂₅H₂₄O₁₂

Isochlorogenic acid C chemical structure, C25H24O12, CAS 32451-88-0

Isochlorogenic acid C

CAS 32451-88-0C₂₅H₂₄O₁₂

RefChem:379023 chemical structure, C27H28O12, CAS 345642-66-2

CAS 345642-66-2C₂₇H₂₈O₁₂

4,5-Dicaffeoylquinic acid chemical structure, C25H24O12, CAS 89886-31-7

4,5-Dicaffeoylquinic acid

CAS 89886-31-7C₂₅H₂₄O₁₂

3-Caffeoyl-4-sinapoylquinic acid chemical structure, C27H28O13, CAS 110241-35-5

3-Caffeoyl-4-sinapoylquinic acid

CAS 110241-35-5C₂₇H₂₈O₁₃

3,4-Dicaffeoylquinic acid chemical structure, C25H24O12, CAS 89886-30-6

3,4-Dicaffeoylquinic acid

CAS 89886-30-6C₂₅H₂₄O₁₂

3,4-O-trans-Caffeoylquinic acid methyl ester chemical structure, C26H26O12, CAS 188742-80-5

3,4-O-trans-Caffeoylquinic acid methyl ester

CAS 188742-80-5C₂₆H₂₆O₁₂

Methyl (1S,3R,4R,5R)-3,4-bis(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-1,5-dihydroxycyclohexane-1-carboxylate chemical structure, C26H26O12, CAS 114637-83-1

Methyl (1S,3R,4R,5R)-3,4-bis(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-1,5-dihydroxycyclohexane-1-carboxylate

CAS 114637-83-1C₂₆H₂₆O₁₂

Ethyl 3,4-dicaffeoylquinate chemical structure, C27H28O12, CAS 143051-73-4

Ethyl 3,4-dicaffeoylquinate

CAS 143051-73-4C₂₇H₂₈O₁₂

4-Caffeoyl-5-feruloylquinic acid chemical structure, C26H26O12, CAS 536981-78-9

4-Caffeoyl-5-feruloylquinic acid

CAS 536981-78-9C₂₆H₂₆O₁₂

3,4-Diferuloylquinic acid chemical structure, C27H28O12, CAS 900249-77-6

3,4-Diferuloylquinic acid

CAS 900249-77-6C₂₇H₂₈O₁₂

Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1R,3S,4S,5S)-rel- chemical structure, C25H24O12

Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1R,3S,4S,5S)-rel-

C₂₅H₂₄O₁₂

4-O-Feruloyl-5-O-caffeoylquinic acid chemical structure, C26H26O12, CAS 125132-81-2

4-O-Feruloyl-5-O-caffeoylquinic acid

CAS 125132-81-2C₂₆H₂₆O₁₂