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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 111 112 113 114 115 116 117 118 119 120  Next >> [130]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.4362±0.0345775
Normalized OD Score: sc h 0.6744±0.0372396
Z-Score: -13.9548±1.51576
p-Value: 2.80542e-38
Z-Factor: 0.280885
Fitness Defect: 86.4667
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00082
Plate DMSO Control (-):0.6572±0.02566
Plate Z-Factor:0.8637
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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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