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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] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [32]
Species: 4932
Condition: MMS22
Replicates: 2
Raw OD Value: r im 0.3832±0.0187383
Normalized OD Score: sc h 0.7933±0.00422838
Z-Score: -6.7801±0.251518
p-Value: 0.0000000000219728
Z-Factor: 0.343746
Fitness Defect: 24.5412
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2008-06-13 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00051
Plate DMSO Control (-):0.49985±0.01999
Plate Z-Factor:0.8693
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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

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