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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: 5 active | as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: SSB2
Replicates: 2
Raw OD Value: r im 0.6082±0.00565685
Normalized OD Score: sc h 0.8751±0.00836226
Z-Score: -6.8609±0.446158
p-Value: 0.0000000000300276
Z-Factor: 0.313226
Fitness Defect: 24.2289
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2008-05-29 YYYY-MM-DD
Plate CH Control (+):0.04115±0.00650
Plate DMSO Control (-):0.6853±0.01327
Plate Z-Factor:0.9450
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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: 16<< Back 1 2 3 Next >> 
JFD 02797 0.9195
SPE01600652 0.9200
JFD 00149 0.9247
SPE01500709 0.9306
SPE01500724 0.9320
BTB 14496 0.9342

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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