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Compound InformationSONAR Target prediction
Name:

HIERACIN

Unique Identifier:SPE01504115
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:292.156 g/mol
X log p:11.519  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:1
Canonical Smiles:Oc1cc(O)c2C(=O)C=C(Oc2c1)c1cc(O)c(O)c(O)c1
Class:flavone
Source:Ginkgo biloba, Hieracium pilosella and Isoetes spp
Reference:Chem Pharm Bull 32:4935 (1984)

Found: 200 nonactive | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [200]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.3830±0.00275772
Normalized OD Score: sc h 0.8927±0.00642824
Z-Score: -1.3456±0.0081477
p-Value: 0.178436
Z-Factor: -0.594993
Fitness Defect: 1.7235
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00032
Plate DMSO Control (-):0.404825±0.02211
Plate Z-Factor:0.8140
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DBLink | Rows returned: 2
5280445 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
5281701 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 162 3 Next >> 
BTB 14489 0.9028
SPE01500735 0.9073
JFD 02379 0.9116
SPE01500731 0.9172
SPE01504002 0.9189
SPE00300384 0.9195

active | Cluster 1884 | Additional Members: 20 | Rows returned: 5
SPE01500724 0.345454545454545
SPE00200499 0.24
SPE01505144 0.191489361702128
SPE01500709 0.191489361702128
Prest122 0.1875

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