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Compound InformationSONAR Target prediction
Name:

RESVERATROL

Unique Identifier:SPE01502223
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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:stilbene
Source:Veratrum grandiflorum, Pinus sibirica, Vitis vinifera, Arachis hypogaea
Reference:Aust J Chem 24:2427 (1971); Tet Lett 1972:2965; Phytochemistry 13:633 (1974);
15:1791, 2006 (1976); 32:1083 (1993)
Therapeutics:antifungal, antibacterial
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: 41 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [41]
Species: 4932
Condition: SPE00210025
Replicates: 2
Raw OD Value: r im 0.1582±0.0183141
Normalized OD Score: sc h 3.1222±0.376078
Z-Score: 11.5845±3.67211
p-Value: 1.2601e-19
Z-Factor: -11.2843
Fitness Defect: 43.5179
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.20 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00100
Plate DMSO Control (-):0.070425±0.29465
Plate Z-Factor:-2.5035
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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: 3
SPE00201066 0.9487
LOPAC 01122 0.9750
LOPAC 00461 1.0000

active | Cluster 1910 | Additional Members: 8 | Rows returned: 4
LOPAC 01122 0.447368421052632
SPE01504044 0.394736842105263
SPE00201066 0.352941176470588
Prest619 0

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