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Compound InformationSONAR Target prediction
Name:

XANTHOXYLIN

Unique Identifier:SPE00200441
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:184.105 g/mol
X log p:5.11  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(O)c(C(C)=O)c(OC)c1
Class:aromatic
Source:Xanthoxylium spp, Artemisia brevifolia

Found: 203 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [203]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.5709±0.00544472
Normalized OD Score: sc h 1.0026±0.00236593
Z-Score: 0.1316±0.12174
p-Value: 0.895702
Z-Factor: -30.8314
Fitness Defect: 0.1101
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00061
Plate DMSO Control (-):0.56835±0.01498
Plate Z-Factor:0.9164
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DBLink | Rows returned: 3
66654 1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone
70016 1-(2,4-dimethoxyphenyl)ethanone
123089 1-(2,4,6-trimethoxyphenyl)ethanone

internal high similarity DBLink | Rows returned: 1
SPE01400156 0.9434

active | Cluster 9714 | Additional Members: 6 | Rows returned: 4
SPE01505153 0.551724137931034
SPE00201610 0.527272727272727
SPE00201727 0.487179487179487
SPE00201081 0.458333333333333

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