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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 1 2 3 4 5 6 7 8 9 10  Next >> [128]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.7482±0.00806102
Normalized OD Score: sc h 0.9362±0.0137109
Z-Score: -3.5910±0.712008
p-Value: 0.00103047
Z-Factor: -0.297126
Fitness Defect: 6.8777
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.039099999999999996±0.00153
Plate DMSO Control (-):0.785975±0.01091
Plate Z-Factor:0.9472
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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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