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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] << Back 151 152 153 154 155 156 157 158 159 160 Next >> [160]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6506±0.0072832
Normalized OD Score: sc h 0.7386±0.00333167
Z-Score: -7.8579±0.739432
p-Value: 0.000000000000110883
Z-Factor: 0.724231
Fitness Defect: 29.8303
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.04115±0.00711
Plate DMSO Control (-):0.6912750000000001±0.01761
Plate Z-Factor:0.8969
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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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