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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 101 102 103 104 105 106 107 108 109 110  Next >> [130]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.0424±0.000636396
Normalized OD Score: sc h 0.0685±0.000861718
Z-Score: -43.4351±1.57283
p-Value: 0
Z-Factor: 0.941797
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00042
Plate DMSO Control (-):0.60385±0.01035
Plate Z-Factor:0.9437
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00300348 0.9946

nonactive | Cluster 7918 | Additional Members: 2 | Rows returned: 1
SPE00211555 0

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