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Compound InformationSONAR Target prediction
Name:

BERBERINE CHLORIDE

Unique Identifier:SPE01500811
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:353.671 g/mol
X log p:15.013  (online calculus)
Lipinksi Failures1
TPSA39.93
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:[ClH-].COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
Class:alkaloid
Source:Berberis and Mahonia spp
Reference:Coll Czech Chem Comm 35:124 (1970); J Nat Prod 40:384 (1977); Agents Actions 14:401
(1984); Alkaloids 28:78 (1986); Life Sci 49:315 (1991); J Cardiovasc P
Therapeutics:antiarrhythmic, alpha2 agonist, cholinesterase, anticonvulsant, antiinflammatory,
antibacterial, antifungal, anti
Generic_name:BERBERINE
Chemical_iupac_name:BERBERINE
Drug_type:Experimental
Kegg_compound_id:C00757
Drugbank_id:EXPT00672
Logp:4.473
Cas_registry_number:2086-83-1
Drug_category:Hypothetical Transcriptional Regulator In Qa inhibitor
Organisms_affected:-1

Found: 400 nonactive | as graph: single | with analogs [1] << Back 341 342 343 344 345 346 347 348 349 350  Next >> [400]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.5878±0.0210718
Normalized OD Score: sc h 0.9836±0.00743387
Z-Score: 0.2202±0.0559985
p-Value: 0.825842
Z-Factor: -7.36942
Fitness Defect: 0.1914
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.0408±0.00128
Plate DMSO Control (-):0.569725±0.02578
Plate Z-Factor:0.8188
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DBLink | Rows returned: 102 Next >> 
2353
8340
12456
72350
155071
155074

internal high similarity DBLink | Rows returned: 2
SPE00300517 0.9275
SPE01500872 0.9471

active | Cluster 10382 | Additional Members: 9 | Rows returned: 4
Prest374 0.328358208955224
Prest91 0
LAT002A08 0
LAT004G09 0

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