Murcko scaffold
Ring system with 6 rings and 30 atoms
53 chemicals on CompoundList share this ring system.
- Rings
- 6
- Scaffold atoms
- 30
- Chemicals
- 53
- With full pages
- 9
Scaffold SMILES
O=C(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)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.
![Murcko scaffold O=C(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)c1ccccc1](/scaffold/IMALDZVHQDNXNG-UHFFFAOYSA-N/structure.svg)
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 53 chemicals
Hydroflumethiazide
CAS 1263-58-7C33H40N2O9
Reserpine
CAS 50-55-5C33H40N2O9
Syrosingopine
CAS 84-36-6C35H42N2O11
Deserpidine
CAS 131-01-1C32H38N2O8
Methoserpidine
CAS 865-04-3C33H40N2O9
Chloroserpidine
CAS 7008-24-4C32H37ClN2O8
Reserpine phosphate
CAS 1263-94-1C33H43N2O13P
![Methyl 1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate chemical structure, C33H38Br2N2O9, CAS 84057-90-9](/s/VHGVJZAKMWEORI-HJACPHKOSA-N.svg)
Methyl 1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
CAS 84057-90-9C33H38Br2N2O9
Bromoreserpine
CAS 84057-91-0C33H39BrN2O9
Adelphane
CAS 51810-90-3C41H52N8O13S
Deserpidine, methyclothiazide
CAS 8057-21-4C41H49Cl2N5O12S2
Nortensin
CAS 58934-32-0C45H51ClN4O14S
Caprinol
CAS 75847-63-1C56H72ClN5O18S2
Hydralazine mixture with hydrochlorothiazide and reserpine
CAS 8064-04-8C48H56ClN9O13S2
Bishomoreserpine
CAS 5700-94-7C35H44N2O9
RefChem:1067399
CAS 21019-39-6C35H42N2O11
Methyl (1R,15S,17R,18R,19S,20S)-17-(4-aminobenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CAS 6937-99-1C30H35N3O6
Methyl (1R,15S,17R,18R,19S,20S)-17-(3-aminobenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CAS 6325-07-1C30H35N3O6
Raunescine
CAS 117-73-7C31H36N2O8
![[(1R,15S,17R,18R,19R,20S)-19-(Hydroxymethyl)-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-17-yl] 3,4,5-trimethoxybenzoate chemical structure, C32H40N2O8, CAS 6242-28-0](/s/MTNNEFGOZLMAQP-YYLMZJNGSA-N.svg)
[(1R,15S,17R,18R,19R,20S)-19-(Hydroxymethyl)-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-17-yl] 3,4,5-trimethoxybenzoate
CAS 6242-28-0C32H40N2O8
Dimethylaminobenzoyl methylreserpate
CAS 3735-87-3C32H39N3O6
Methoserpedine
C33H40N2O9
Reserpidine
CAS 873410-67-4C32H38N2O8
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(((3,5-dimethoxy-4-propyl)benzoyl)oxy)-, methyl ester, (3-beta,16-beta,17-alpha,18-beta,20-alpha)-
CAS 55729-34-5C35H44N2O8
- Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,5-dimethoxy-4-(1-methylpropyl)benzoyl)oxy)-, methyl ester, (3-beta,16-beta,17-alpha,18-beta,20-alpha)-55729-37-8C36H46N2O8
- Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,5-dimethoxy-4-(1-methylethyl)benzoyl)oxy)-, methyl ester, (3-beta,16-beta,17-alpha,18-beta,20-alpha)-55729-39-0C35H44N2O8
- RefChem:110110671720-58-6C37H46N2O15
- Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mono(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodobenzeneacetate)23284-27-7C47H49I3N2O13
- 1 suppliersIsoreserpine482-85-9C33H40N2O9
- Reserpin N-oxide474-48-6C33H40N2O10
- 1 suppliersBietaserpine53-18-9C39H53N3O9
- Reserpine hydrochloride16994-56-2C33H41ClN2O9
- Butiserpazide75847-62-0C50H63ClN7NaO16S2
- Chlorothiazide, reserpine8055-35-4C40H46ClN5O13S2
- Regroton8058-25-1C47H51ClN4O13S
- Hydralazine hydrochloride, hydrochlorothiazide, reserpine8067-45-6C48H57Cl2N9O13S2
- Polythiazide, reserpine60747-11-7C44H53ClF3N5O13S3
- Yohimban-16-carboxylic acid, 1-(2-(diethylamino)ethyl)-11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18alpha,20alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:2)93891-81-7C47H65N3O21
- Methyl (1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate, bis((2S)-5-oxopyrrolidine-2-carboxylic acid)93803-74-8C49H67N5O15
- Meprocalm8060-44-4C42H58N4O13
- Deserpidine oxalate119506-01-3C34H40N2O12
- Methyl (1S,15R,17S,18S,19R,20R)-7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateC33H40N2O9
- Hydralazine hydrochloride, reserpine37304-91-9C41H48N6O9
- Reserpine-d984759-11-5C33H40N2O9
- DibromoreserpineC33H38Br2N2O9
- Raunescine monoacetate707532-96-5C33H38N2O9
- Raunescine nitrate6159-98-4C31H38N3O11+
- Reserpine ascorbate20235-11-4C39H48N2O15
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(OC1C=C2CN3CCc4c([nH]c5ccccc45)C3CC2CC1)c1ccccc1](/scaffold/KFQIHRISQHHPHB-UHFFFAOYSA-N/structure.svg)