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Compound InformationSONAR Target prediction
Name:

TRIACETYLRESVERATROL

Unique Identifier:SPE01504041
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:336.21 g/mol
X log p:18.831  (online calculus)
Lipinksi Failures1
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:8
Canonical Smiles:CC(=O)Oc1ccc(cc1)C=Cc1cc(OC(C)=O)cc(OC(C)=O)c1
Class:stilbene
Source:Kirkpatrickia variolosa (sponge)
Reference:Aust J Chem 24:2427 (1971); Phytochemistry 32:1083 (1993); J Nat Prod 58:1958 (1995)

Found: 204 nonactive | as graph: single | with analogs [1] << Back 141 142 143 144 145 146 147 148 149 150  Next >> [204]
Species: 4932
Condition: MMS22
Replicates: 2
Raw OD Value: r im 0.4966±0.00692965
Normalized OD Score: sc h 0.9214±0.0129833
Z-Score: -2.5745±0.593505
p-Value: 0.0169654
Z-Factor: -0.94135
Fitness Defect: 4.0766
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2008-06-13 YYYY-MM-DD
Plate CH Control (+):0.040650000000000006±0.00318
Plate DMSO Control (-):0.536675±0.01965
Plate Z-Factor:0.8398
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DBLink | Rows returned: 2
3935161 [4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate
5962587 [3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 14842 | Additional Members: 6 | Rows returned: 1
SPE00240740 0

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