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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 51 52 53 54 55 56 57 58 59 60  Next >> [72]
Species: 4932
Condition: NTH1
Replicates: 2
Raw OD Value: r im 0.7057±0.00190919
Normalized OD Score: sc h 0.9888±0.00614981
Z-Score: -0.5892±0.360873
p-Value: 0.56841
Z-Factor: -7.55218
Fitness Defect: 0.5649
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2008-01-23 YYYY-MM-DD
Plate CH Control (+):0.040999999999999995±0.00059
Plate DMSO Control (-):0.6848000000000001±0.01637
Plate Z-Factor:0.9109
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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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