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Compound InformationSONAR Target prediction
Name:

RETUSIN 7-METHYL ETHER

Unique Identifier:SPE00240645
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:284.179 g/mol
X log p:15.443  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1)C1=COc2c(O)c(OC)ccc2C1=O
Class:isoflavone
Source:derivative Dalbergia spp

Found: 76 active | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [76]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.1532±0.00424264
Normalized OD Score: sc h 0.4870±0.0147047
Z-Score: -4.4597±0.151539
p-Value: 0.00000920226
Z-Factor: 0.651772
Fitness Defect: 11.5961
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00133
Plate DMSO Control (-):0.327125±0.01486
Plate Z-Factor:0.8133
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DBLink | Rows returned: 1
6710639 8-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 141 2 3 Next >> 
SPE00201182 0.9044
RJC 00206 0.9063
SPE10100003 0.9077
LOPAC 00426 0.9141
SPE00200789 0.9141
SPE00201341 0.9143

nonactive | Cluster 5360 | Additional Members: 5 | Rows returned: 4
SPE00200139 0.440677966101695
SPE00201341 0.388888888888889
SPE00201185 0.307692307692308
SPE00201312 0

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