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Compound InformationSONAR Target prediction
Name:

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

Unique Identifier:SPE01505153
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(OC)c(O)c2)c(OC)c1
Class:chalcone
Source:Merrillia caloxylon
Reference:Annalen 550:146 (1942); Planta 95:133 (1970); Phytochemistry 13:1561 (1974)

Found: 32 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [32]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6350±0.0141421
Normalized OD Score: sc h 0.8595±0.0226358
Z-Score: -7.1574±1.32291
p-Value: 0.000000000245562
Z-Factor: 0.132708
Fitness Defect: 22.1275
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:20|D10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09175±0.00712
Plate DMSO Control (-):0.73475±0.02953
Plate Z-Factor:0.8003
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 9714 | Additional Members: 6 | Rows returned: 4
SPE00201610 0.527272727272727
SPE00201727 0.487179487179487
SPE00201081 0.458333333333333
SPE00200441 0

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