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Compound InformationSONAR Target prediction
Name:

TETRAHYDROGAMBOGIC ACID

Unique Identifier:SPE00201540
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38H48O8
Molecular Weight:584.402 g/mol
X log p:8.776  (online calculus)
Lipinksi Failures1
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:8
Canonical Smiles:CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C(CC6CC4C(C)(C)OC5(CC=C(C)C(O)=O)C6O
)C(=O)c3c(O)c2C=C1
Source:derivative
Reference:Tetrahedron 21: 1453 (1965)

Found: 111 nonactive | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [111]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9272±0.033234
Normalized OD Score: sc h 0.9364±0.0308639
Z-Score: -0.6635±1.28383
p-Value: 0.461562
Z-Factor: -1.96303
Fitness Defect: 0.7731
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:16|A9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.000475±0.00322
Plate DMSO Control (-):0.998575±0.03329
Plate Z-Factor:0.8988
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DBLink | Rows returned: 1
5149277

internal high similarity DBLink | Rows returned: 2
SPE00201539 0.9183
SPE00201524 0.9478

active | Cluster 84 | Additional Members: 8 | Rows returned: 6
SPE00201538 0.612403100775194
SPE00201524 0.339449541284404
SPE00201539 0.333333333333333
SPE00210746 0.26605504587156
SPE00201522 0.104166666666667
SPE00200007 0

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