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Compound InformationSONAR Target prediction
Name:

IRIGINOL HEXAACEATATE

Unique Identifier:SPE00211012
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:548.281 g/mol
X log p:8.227  (online calculus)
Lipinksi Failures3
TPSA184.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:14
Rotatable Bond Count:13
Canonical Smiles:CC(=O)Oc1cc2OC=C(C(=O)c2c(OC(C)=O)c1OC(C)=O)c1cc(OC(C)=O)c(OC(C)=O)c(O
C(C)=O)c1
Class:isoflavone
Source:semisynthetic

Found: 128 nonactive | as graph: single | with analogs [1] << Back 121 122 123 124 125 126 127 128 Next >> [128]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.8505±0.0374767
Normalized OD Score: sc h 1.0747±0.0302407
Z-Score: 2.0372±0.765423
p-Value: 0.0722898
Z-Factor: -2.54511
Fitness Defect: 2.6271
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:16|F4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0955±0.00669
Plate DMSO Control (-):0.92625±0.04348
Plate Z-Factor:0.7852
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DBLink | Rows returned: 1
3505890 [5,7-diacetyloxy-4-oxo-3-(3,4,5-triacetyloxyphenyl)chromen-6-yl] acetate

internal high similarity DBLink | Rows returned: 0

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

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