Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 71 72 73 74 75 76 77 78 79 80  Next >> [111]
Species: 4932
Condition: SEC22
Replicates: 2
Raw OD Value: r im 0.5653±0.0257387
Normalized OD Score: sc h 0.9296±0.0086218
Z-Score: -2.4366±0.184453
p-Value: 0.0156773
Z-Factor: -380.374
Fitness Defect: 4.1555
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-10-16 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00061
Plate DMSO Control (-):0.5982000000000001±0.12703
Plate Z-Factor:0.2461
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory