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Compound InformationSONAR Target prediction
Name:

Resveratrol

Unique Identifier:Prest619
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H12O3
Molecular Weight:216.148 g/mol
X log p:19.059  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:Oc1ccc(cc1)C=Cc1cc(O)cc(O)c1
Generic_name:RESVERATROL
Chemical_iupac_name:RESVERATROL
Drug_type:Experimental
Kegg_compound_id:C03582
Drugbank_id:EXPT02968
Logp:3.316
Cas_registry_number:501-36-0
Drug_category:Nrh Dehydrogenase [Quinone] 2 inhibitor
Organisms_affected:-1

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 13995.0000±0
Normalized OD Score: sc h 0.7907±0
Z-Score: -5.8218±0
p-Value: 0.00000000582076
Z-Factor: -0.870501
Fitness Defect: 18.9618
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|C9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
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DBLink | Rows returned: 3
5056 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
445154 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
1548910 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

internal high similarity DBLink | Rows returned: 0

active | Cluster 1910 | Additional Members: 8 | Rows returned: 4
LOPAC 01122 0.447368421052632
SPE01504044 0.394736842105263
SPE00201066 0.352941176470588
SPE01502223 0

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