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Compound InformationSONAR Target prediction
Name:

ISOEUGENITOL

Unique Identifier:SPE00200449
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:196.115 g/mol
X log p:4.311  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1Oc2c(C)c(O)cc(O)c2C(=O)C=1
Class:chromone
Source:Eugenia caryophyllata
Reference:Helv Chim Acta 31: 1603 (1948)

Found: 11 active | as graph: single | with analogs << Back 11
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.2757±0.00855599
Normalized OD Score: sc h 0.5067±0.0123111
Z-Score: -13.7928±0.36164
p-Value: 4.73078e-42
Z-Factor: 0.717596
Fitness Defect: 95.1545
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00085
Plate DMSO Control (-):0.52835±0.01786
Plate Z-Factor:0.9244
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DBLink | Rows returned: 1
5318562 5,7-dihydroxy-2,8-dimethyl-chromen-4-one

internal high similarity DBLink | Rows returned: 4
JFD 00137 0.9009
SPE00100529 0.9250
SPE00100528 0.9478
SPE00200447 0.9646

nonactive | Cluster 823 | Additional Members: 1 | Rows returned: 0

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