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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 91 92 93 94 95 96 97 98 99 100  Next >> [130]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.5381±0.00417193
Normalized OD Score: sc h 0.8999±0.00237001
Z-Score: -4.1238±0.104657
p-Value: 0.0000391128
Z-Factor: -0.130402
Fitness Defect: 10.1491
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00063
Plate DMSO Control (-):0.582025±0.02164
Plate Z-Factor:0.8624
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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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