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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: 185 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [185]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.7504±0.00905097
Normalized OD Score: sc h 1.0029±0.00654484
Z-Score: 0.1050±0.262489
p-Value: 0.853554
Z-Factor: -8.88511
Fitness Defect: 0.1583
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.038±0.00151
Plate DMSO Control (-):0.74775±0.01111
Plate Z-Factor:0.9422
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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

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

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