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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: 10 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10 Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.4430±0.0210718
Normalized OD Score: sc h 0.8020±0.0410173
Z-Score: -8.6878±1.37269
p-Value: 0.00000000000000594514
Z-Factor: -3.4924
Fitness Defect: 32.7562
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-09-27 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00175
Plate DMSO Control (-):0.544975±0.10154
Plate Z-Factor:0.3552
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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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