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Compound InformationSONAR Target prediction
Name:

IMPERATORIN

Unique Identifier:SPE00102076
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.169 g/mol
X log p:13.312  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCOc1c2occc2cc2C=CC(=O)Oc12
Class:coumarin
Source:Angelica & other Umbelliferaceae.
Reference:Ber 66: 1137 (1933); Ghana J Sci 10: 82 (1970)
Therapeutics:anticonvulsant, antiinflammatory

Found: 160 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [160]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.5988±0.000212132
Normalized OD Score: sc h 0.8433±0.00252342
Z-Score: -8.5128±0.00873733
p-Value: 1.69984e-17
Z-Factor: -3.11314
Fitness Defect: 38.6134
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00025
Plate DMSO Control (-):0.69275±0.12390
Plate Z-Factor:0.4147
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DBLink | Rows returned: 1
10212

internal high similarity DBLink | Rows returned: 1
SPE01500400 0.9412

active | Cluster 12807 | Additional Members: 6 | Rows returned: 3
SPE00300005 0.474576271186441
LAT001C03 0.305084745762712
SPE01500400 0

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