Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

Resveratrol

Unique Identifier:LOPAC 00461
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
Class:Prostaglandin
Action:Inhibitor
Selectivity:COX
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: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8046±0.00855599
Normalized OD Score: sc h 0.9966±0.0037518
Z-Score: -0.2482±0.259801
p-Value: 0.807196
Z-Factor: -18.26
Fitness Defect: 0.2142
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:14|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.0393±0.00128
Plate DMSO Control (-):0.79655±0.01088
Plate Z-Factor:0.9386
png
ps
pdf

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: 3
SPE00201066 0.9487
LOPAC 01122 0.9762
SPE01502223 1.0000

active | Cluster 1910 | Additional Members: 8 | Rows returned: 5
LOPAC 01122 0.447368421052632
SPE01504044 0.394736842105263
SPE00201066 0.352941176470588
Prest619 0
SPE01502223 0

Service provided by the Mike Tyers Laboratory