WHC is still in active development. Read this to understand our approach.
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isomerdesign

Raubasine

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drugmap

Ajmalicine

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drugmap

Ajmalicine

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Ajmalicine

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Data

InChI: InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3

Sinónimos: C21H24N2O3, AC1LOQX5, TTTJ R1 UVO1, methyl (3beta,19alpha,20alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (3beta,19alpha,20alpha)-, SCHEMBL563799,akuammigine,Raubasine, CHEBI:141878, MolPort-039-052-713, SMR000107477, PDSP1_001665,δ-Yohimbine, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-, AKOS032948886, Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19, UNII-1E21YYE0UM,AKUAMMIGINE,MLS000111555, NSC72115, 1E21YYE0UM, 6474-90-4, WLN: T F6 D5 C666 EM ON SO TU&amp, CHEMBL122404, methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate, ZINC53174616, BDBM50030622, 642-17-1, 9078AF, 4H-Indolo(2,3-a)pyrano(3,4-g)quinolizine-1-carboxylic acid, 4a,5,7,8,13,13b,14,14a-octahydro-4-methyl-, methyl ester, (4S,4aS,13bR,14aS)-,Ajmalicine, Isoarteril

Estimated data

Solubilidad: -3.733 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: No (prediction using frontiersin.org)

Addictivity Prediction: 48.5% (prediction based on www.mdpi.com)

Similitudes

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.