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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.7846±0.00233345
Normalized OD Score: sc h 0.9992±0.00553841
Z-Score: -0.3148±0.306462
p-Value: 0.758444
Z-Factor: -11.9593
Fitness Defect: 0.2765
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-02-24 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00134
Plate DMSO Control (-):0.766075±0.01262
Plate Z-Factor:0.9382
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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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