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Murcko scaffold

Ring system with 3 rings and 28 atoms

23 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 28
Chemicals: 23
With full pages: 9

Scaffold SMILES

O=C(C=Cc1ccccc1)OC1CCCC(OC(=O)C=Cc2ccccc2)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)OC1CCCC(OC(=O)C=Cc2ccccc2)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 23 of 23 chemicals

1,5-Dicaffeoylquinic acid chemical structure, C25H24O12, CAS 30964-13-7

1,5-Dicaffeoylquinic acid

CAS 30964-13-7C₂₅H₂₄O₁₂

1,3-Dicaffeoylquinic acid chemical structure, C25H24O12, CAS 1884-23-7

1,3-Dicaffeoylquinic acid

CAS 1884-23-7C₂₅H₂₄O₁₂

trans-(3R,5R)-3,5-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic acid chemical structure, C25H24O12

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

C₂₅H₂₄O₁₂

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

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

C₂₅H₂₄O₁₂

Cynarine chemical structure, C25H24O12, CAS 1884-24-8

CAS 1884-24-8C₂₅H₂₄O₁₂

Isochlorogenic acid A chemical structure, C25H24O12, CAS 89919-62-0

Isochlorogenic acid A

CAS 89919-62-0C₂₅H₂₄O₁₂

1,5-O-trans-Dicaffeoylquinic acid chemical structure, C25H24O12, CAS 19870-46-3

1,5-O-trans-Dicaffeoylquinic acid

CAS 19870-46-3C₂₅H₂₄O₁₂

Npc237314 chemical structure, C26H26O12, CAS 159934-13-1

CAS 159934-13-1C₂₆H₂₆O₁₂

4-Succinyl-3,5-dicaffeoylquinic acid chemical structure, C29H28O15, CAS 179761-31-0

4-Succinyl-3,5-dicaffeoylquinic acid

CAS 179761-31-0C₂₉H₂₈O₁₅

Dicaffeoyl quinic acid chemical structure, C25H24O12, CAS 2450-53-5

Dicaffeoyl quinic acid

CAS 2450-53-5C₂₅H₂₄O₁₂

Npc15336 chemical structure, C25H24O12, CAS 1890190-55-2

CAS 1890190-55-2C₂₅H₂₄O₁₂

(1S,3S,4R,5S)-3-[(Z)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexane-1-carboxylic acid chemical structure, C25H24O12

(1S,3S,4R,5S)-3-[(Z)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexane-1-carboxylic acid

C₂₅H₂₄O₁₂

Choline (1alpha,3alpha,4alpha,5beta)-1,3-bis(3,4-dihydroxycinnamoyloxy)-4,5-dihydroxycyclohexanecarboxylate chemical structure, C30H37NO13, CAS 100018-95-9

Choline (1alpha,3alpha,4alpha,5beta)-1,3-bis(3,4-dihydroxycinnamoyloxy)-4,5-dihydroxycyclohexanecarboxylate

CAS 100018-95-9C₃₀H₃₇NO₁₃

3,5-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic acid chemical structure, C25H24O12

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

C₂₅H₂₄O₁₂

(1S,3R,4R,5R)-1-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-3,4-dihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid chemical structure, C25H24O11, CAS 1401532-34-0

(1S,3R,4R,5R)-1-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-3,4-dihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid

CAS 1401532-34-0C₂₅H₂₄O₁₁

(1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid chemical structure, C26H26O12, CAS 173658-86-1

(1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

CAS 173658-86-1C₂₆H₂₆O₁₂

(1R,3R,4S,5R)-3-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxy-1-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid chemical structure, C25H24O11, CAS 2459224-35-0

(1R,3R,4S,5R)-3-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxy-1-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid

CAS 2459224-35-0C₂₅H₂₄O₁₁

cis-(3S,5R)-5-[(Z)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxycyclohexane-1-carboxylic acid chemical structure, C25H24O12

cis-(3S,5R)-5-[(Z)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxycyclohexane-1-carboxylic acid

C₂₅H₂₄O₁₂

3-Hydroxypropyl (1alpha,3R,4alpha,5R)-3,5-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxycyclohexanecarboxylate chemical structure, C28H30O13, CAS 2117693-30-6

3-Hydroxypropyl (1alpha,3R,4alpha,5R)-3,5-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxycyclohexanecarboxylate

CAS 2117693-30-6C₂₈H₃₀O₁₃

1,5-Diferuloylquinic acid chemical structure, C27H28O12, CAS 325172-03-0

1,5-Diferuloylquinic acid

CAS 325172-03-0C₂₇H₂₈O₁₂

Ethyl 3,5-di-O-caffeoylquinate chemical structure, C27H28O12, CAS 143051-74-5

Ethyl 3,5-di-O-caffeoylquinate

CAS 143051-74-5C₂₇H₂₈O₁₂

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

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

C₂₅H₂₄O₁₂

(1S,3R,4R,5R)-3,4-Dihydroxy-1,5-bis(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid chemical structure, C25H24O10, CAS 1239620-73-5

(1S,3R,4R,5R)-3,4-Dihydroxy-1,5-bis(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid

CAS 1239620-73-5C₂₅H₂₄O₁₀