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Murcko scaffold

Ring system with 4 rings and 20 atoms

27 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 20
Chemicals: 27
With full pages: 1

Scaffold SMILES

c1ccc(CC2NCCc3cc4c(cc32)OCO4)cc1

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 c1ccc(CC2NCCc3cc4c(cc32)OCO4)cc1

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 27 of 27 chemicals

alpha-Narcotinediol chemical structure, C22H27NO7, CAS 23942-99-6

alpha-Narcotinediol

CAS 23942-99-6C₂₂H₂₇NO₇

Macrantoridine chemical structure, C22H25NO7, CAS 65560-20-5

CAS 65560-20-5C₂₂H₂₅NO₇

Macrantaline chemical structure, C22H27NO6, CAS 62818-76-2

CAS 62818-76-2C₂₂H₂₇NO₆

Papaveroxidine chemical structure, C24H27NO9, CAS 116988-08-0

CAS 116988-08-0C₂₄H₂₇NO₉

1,3-Dioxolo(4,5-g)isoquinoline-5-methanol, 5,6,7,8-tetrahydro-alpha-(p-methoxyphenyl)-6-methyl-, hydrochloride chemical structure, C19H22ClNO4, CAS 17606-09-6

1,3-Dioxolo(4,5-g)isoquinoline-5-methanol, 5,6,7,8-tetrahydro-alpha-(p-methoxyphenyl)-6-methyl-, hydrochloride

CAS 17606-09-6C₁₉H₂₂ClNO₄

5-(2-Bromo-4,5-dimethoxybenzyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline chemical structure, C19H20BrNO4, CAS 25888-41-9

5-(2-Bromo-4,5-dimethoxybenzyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline

CAS 25888-41-9C₁₉H₂₀BrNO₄

2,3-Dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde chemical structure, C21H23NO5, CAS 52801-27-1

2,3-Dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde

CAS 52801-27-1C₂₁H₂₃NO₅

[2,3-Dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl]methanol chemical structure, C21H25NO5, CAS 70866-38-5

[2,3-Dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl]methanol

CAS 70866-38-5C₂₁H₂₅NO₅

5-(3,4-Dimethoxybenzyl)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-G]isoquinoline chemical structure, C20H23NO4, CAS 5544-50-3

5-(3,4-Dimethoxybenzyl)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-G]isoquinoline

CAS 5544-50-3C₂₀H₂₃NO₄

Narcotic acid chemical structure, C22H25NO8, CAS 55836-07-2

CAS 55836-07-2C₂₂H₂₅NO₈

Canadaline chemical structure, C21H23NO5

C₂₁H₂₃NO₅

(S)-5-(3,4-Dimethoxybenzyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline chemical structure, C19H21NO4, CAS 19777-79-8

(S)-5-(3,4-Dimethoxybenzyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

CAS 19777-79-8C₁₉H₂₁NO₄

1-[(5R)-5-[(S)-Hydroxy-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-2,2-dimethylpropan-1-one chemical structure, C25H31NO7, CAS 114621-94-2

1-[(5R)-5-[(S)-Hydroxy-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-2,2-dimethylpropan-1-one

CAS 114621-94-2C₂₅H₃₁NO₇

3-O-Acetylpapaveroxine chemical structure, C24H27NO8, CAS 1642137-74-3

3-O-Acetylpapaveroxine

CAS 1642137-74-3C₂₄H₂₇NO₈

(+)-Papaveroxinoline chemical structure, C24H29NO8, CAS 106982-93-8

(+)-Papaveroxinoline

CAS 106982-93-8C₂₄H₂₉NO₈

(-)-Canadalisol chemical structure, C21H25NO5, CAS 123878-19-3

(-)-Canadalisol

CAS 123878-19-3C₂₁H₂₅NO₅

(S)-(+)-Canadaline chemical structure, C21H23NO5

(S)-(+)-Canadaline

C₂₁H₂₃NO₅

[6-[(S)-Acetyloxy-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxyphenyl]methyl acetate chemical structure, C26H31NO9, CAS 106982-95-0

[6-[(S)-Acetyloxy-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxyphenyl]methyl acetate

CAS 106982-95-0C₂₆H₃₁NO₉

Norcinnamolaurine chemical structure, C17H17NO3, CAS 34168-00-8

Norcinnamolaurine

CAS 34168-00-8C₁₇H₁₇NO₃

Cinnamolaurine chemical structure, C18H19NO3, CAS 25866-03-9

CAS 25866-03-9C₁₈H₁₉NO₃

5,6,7,8-Tetrahydro-6-methyl-5-(phenylmethyl)-1,3-dioxolo[4,5-g]isoquinoline chemical structure, C18H19NO2, CAS 4514-05-0

5,6,7,8-Tetrahydro-6-methyl-5-(phenylmethyl)-1,3-dioxolo[4,5-g]isoquinoline

CAS 4514-05-0C₁₈H₁₉NO₂

N-Desmethyl (-)-canadalisol N-carboxylic acid ethyl ester chemical structure, C23H27NO7, CAS 123878-18-2

N-Desmethyl (-)-canadalisol N-carboxylic acid ethyl ester

CAS 123878-18-2C₂₃H₂₇NO₇

Papaveroxine chemical structure, C22H25NO7, CAS 106982-92-7

CAS 106982-92-7C₂₂H₂₅NO₇

[(2-Formyl-3,4-dimethoxyphenyl)-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate chemical structure, C23H25NO8, CAS 1642137-73-2

[(2-Formyl-3,4-dimethoxyphenyl)-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate

CAS 1642137-73-2C₂₃H₂₅NO₈