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Compound InformationSONAR Target prediction
Name:

PRENYLETIN

Unique Identifier:SPE00100101
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.147 g/mol
X log p:10.873  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCOc1cc2OC(=O)C=Cc2cc1O
Class:coumarin
Source:Ptaeroxylon obliquum
Reference:J Chem Soc (C) 1967:145; Tet Lett 1967:2147

Found: 575 nonactive | as graph: single | with analogs [1] << Back 561 562 563 564 565 566 567 568 569 570  Next >> [575]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7615±0.00544472
Normalized OD Score: sc h 0.9549±0.00120454
Z-Score: -1.4129±0.10844
p-Value: 0.158911
Z-Factor: -18.6512
Fitness Defect: 1.8394
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:14|B11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10125±0.00959
Plate DMSO Control (-):0.9279999999999999±0.02005
Plate Z-Factor:0.9275
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DBLink | Rows returned: 1
3873459 6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 14605 | Additional Members: 7 | Rows returned: 1
SPE01504168 0.573770491803279

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