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Compound InformationSONAR Target prediction
Name:

2-,4-DIHYDROXY-3,4-,6--TRIMETHOXYCHALCONE

Unique Identifier:SPE01505140
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H18O6
Molecular Weight:312.189 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1cc(O)c(C(=O)C=Cc2ccc(O)c(OC)c2)c(OC)c1
Class:chalcone
Source:Viscum album (glucoside)
Reference:Annalen 550:146 (1942); Planta 95:133 (1970); Phytochemistry 13:1561 (1974)

Found: 95 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [95]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.5781±0.00318198
Normalized OD Score: sc h 0.9624±0.000966324
Z-Score: -1.5501±0.0410137
p-Value: 0.121265
Z-Factor: -3.05737
Fitness Defect: 2.1098
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.041175±0.00055
Plate DMSO Control (-):0.58745±0.02220
Plate Z-Factor:0.8810
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 10748 | Additional Members: 6 | Rows returned: 1
SPE01505345 0.352941176470588

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