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Compound InformationSONAR Target prediction
Name:

LONCHOCARPIC ACID

Unique Identifier:SPE00300228
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:408.275 g/mol
X log p:15.059  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c2OC(=O)C(=C(O)c21)c1ccc(O)cc1
Class:coumarin
Source:Lonchocarpus and Derris spp.
Reference:J Org Chem 8:489, 493 (1943); J Chem Soc(C) 1969:334

Found: 72 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [72]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.2866±0.017112
Normalized OD Score: sc h 0.6565±0.0195275
Z-Score: -3.4963±0.228028
p-Value: 0.00055365
Z-Factor: 0.0725907
Fitness Defect: 7.499
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.5059±0.01355
Plate DMSO Control (-):0.44725000000000004±0.04235
Plate Z-Factor:-1.5495
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00300348 0.9946

active | Cluster 7918 | Additional Members: 2 | Rows returned: 0
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