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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 91 92 93 94 95 96 97 98 99 100  Next >> [185]
Species: 4932
Condition: TFP1
Replicates: 2
Raw OD Value: r im 0.7013±0.0098995
Normalized OD Score: sc h 0.9624±0.00158058
Z-Score: -1.5744±0.0437934
p-Value: 0.11556
Z-Factor: -3.26526
Fitness Defect: 2.158
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-08-31 YYYY-MM-DD
Plate CH Control (+):0.0421±0.00088
Plate DMSO Control (-):0.7059249999999999±0.03291
Plate Z-Factor:0.8435
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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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