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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: 130 active | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [130]
Species: 4932
Condition: PPH21
Replicates: 2
Raw OD Value: r im 0.5556±0.0405172
Normalized OD Score: sc h 0.7582±0.0489005
Z-Score: -8.6686±1.63727
p-Value: 0.0000000000000293694
Z-Factor: -0.0644279
Fitness Defect: 31.1588
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2006-05-16 YYYY-MM-DD
Plate CH Control (+):0.038225±0.00193
Plate DMSO Control (-):0.772425±0.02659
Plate Z-Factor:0.8599
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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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