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Compound InformationSONAR Target prediction
Name:

DECAHYDROGAMBOGIC ACID

Unique Identifier:SPE00201538
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38H54O8
Molecular Weight:584.402 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(C)CCCC1(C)Oc2c(CCC(C)C)c3OC45C(CC6CC4C(C)(C)OC5(CCC(C)C(O)=O)C6O)C(
=O)c3c(O)c2C=C1
Class:xanthone
Source:derivative
Reference:Tetrahedron 21: 1453 (1965)

Found: 103 nonactive | as graph: single | with analogs [1] << Back 101 102 103
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4539±0.0153442
Normalized OD Score: sc h 0.9186±0.0268041
Z-Score: -2.2828±0.753002
p-Value: 0.042466
Z-Factor: -1.43279
Fitness Defect: 3.1591
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:25|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00119
Plate DMSO Control (-):0.495425±0.01575
Plate Z-Factor:0.8683
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 84 | Additional Members: 8 | Rows returned: 6
SPE00201540 0.410714285714286
SPE00201524 0.339449541284404
SPE00201539 0.333333333333333
SPE00210746 0.26605504587156
SPE00201522 0.104166666666667
SPE00200007 0

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