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Compound InformationSONAR Target prediction
Name:

IRIGENIN TRIMETHYL ETHER

Unique Identifier:SPE00200873
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:380.22 g/mol
X log p:10.801  (online calculus)
Lipinksi Failures1
TPSA81.68
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:COc1cc2OC=C(C(=O)c2c(OC)c1OC)c1cc(OC)c(OC)c(OC)c1
Class:isoflavone
Source:derivative
Reference:Prog Chem Org Nat Prod 43: 1 (1983)

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.7775±0.00919239
Normalized OD Score: sc h 1.0143±0.0177296
Z-Score: 0.4768±0.589335
p-Value: 0.661806
Z-Factor: -8.39475
Fitness Defect: 0.4128
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|G8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09625±0.00629
Plate DMSO Control (-):0.9305000000000001±0.05108
Plate Z-Factor:0.6801
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DBLink | Rows returned: 1
4303569 5,6,7-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 4
JFD 02642 0.9021
SPE00200139 0.9116
SPE00201182 0.9161
SPE00201341 0.9252

active | Cluster 1426 | Additional Members: 2 | Rows returned: 1
SPE00211012 0

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