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Compound InformationSONAR Target prediction
Name:

CHRYSIN DIMETHYL ETHER

Unique Identifier:SPE01500739
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H14O4
Molecular Weight:268.18 g/mol
X log p:17.421  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(OC)c2C(=O)C=C(Oc2c1)c1ccccc1
Source:ex Boesenburgia pandurata, Leptosermum scoparium

Found: 38 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [38]
Species: 4932
Condition: PPH21
Replicates: 2
Raw OD Value: r im 0.7231±0.0111016
Normalized OD Score: sc h 0.8855±0.00889178
Z-Score: -4.1072±0.263333
p-Value: 0.000052899
Z-Factor: 0.188686
Fitness Defect: 9.8471
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-05-16 YYYY-MM-DD
Plate CH Control (+):0.038974999999999996±0.00208
Plate DMSO Control (-):0.791175±0.01646
Plate Z-Factor:0.9286
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DBLink | Rows returned: 2
88881 5,7-dimethoxy-2-phenyl-chromen-4-one
1636405 2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one

internal high similarity DBLink | Rows returned: 19<< Back 1 2 3 4 Next >> 
SPE00211227 0.9577
SPE01500709 0.9640
SPE01500724 0.9648
BTB 13710 0.9712
JFD 02797 0.9789
SPE00300384 0.9789

active | Cluster 4262 | Additional Members: 9 | Rows returned: 2
SPE01501197 0.431372549019608
SPE01500738 0.388888888888889

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