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Compound InformationSONAR Target prediction
Name:

DIHYDROGAMBOGIC ACID

Unique Identifier:SPE00201524
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38H46O8
Molecular Weight:584.402 g/mol
X log p:10.405  (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)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(O)C5(CC
=C(C)C(O)=O)OC6(C)C
Source:derivative
Reference:Tetrahedron 21: 1453 (1965)

Found: 104 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [104]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.7663±0.0210718
Normalized OD Score: sc h 1.0088±0.0134089
Z-Score: 0.2314±0.354048
p-Value: 0.807434
Z-Factor: -5.64324
Fitness Defect: 0.2139
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-03-14 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00162
Plate DMSO Control (-):0.78825±0.01313
Plate Z-Factor:0.9555
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DBLink | Rows returned: 2
5205218
6857793

internal high similarity DBLink | Rows returned: 5
SPE00201522 0.9064
SPE10100009 0.9074
SPE00200007 0.9387
SPE00201540 0.9478
SPE00201539 0.9609

active | Cluster 84 | Additional Members: 8 | Rows returned: 6
SPE00201538 0.612403100775194
SPE00201540 0.410714285714286
SPE00201539 0.333333333333333
SPE00210746 0.26605504587156
SPE00201522 0.104166666666667
SPE00200007 0

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