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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SNC1
Replicates: 2
Raw OD Value: r im 0.7226±0.0226274
Normalized OD Score: sc h 1.0116±0.0289453
Z-Score: 0.6729±1.66084
p-Value: 0.340368
Z-Factor: -10.5173
Fitness Defect: 1.0777
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-04-24 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00207
Plate DMSO Control (-):0.7047749999999999±0.01493
Plate Z-Factor:0.9244
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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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