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Compound InformationSONAR Target prediction
Name:

GAMBOGIC ACID

Unique Identifier:SPE00200007
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:584.402 g/mol
X log p:10.109  (online calculus)
Lipinksi Failures1
TPSA78.9
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(C
C=C(C)C(O)=O)OC6(C)C
Class:xanthone
Source:Garcinia morella, G hanburyii
Reference:Tetrahedron 21: 1453 (1965); J Chem Soc(C) 1966:772; Tet Lett 1967:4201;
Phytochemistry 41,: 815 (1996)
Therapeutics:antiinflammatory, cytotoxic, inhibits HeLa cells in vitro; LD50(rat) 88 mg/kg ip

Found: 98 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [98]
Species: 4932
Condition: TFP1
Replicates: 2
Raw OD Value: r im 0.7029±0.011243
Normalized OD Score: sc h 0.9865±0.00296249
Z-Score: -0.5665±0.131938
p-Value: 0.572714
Z-Factor: -29.8852
Fitness Defect: 0.5574
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-08-31 YYYY-MM-DD
Plate CH Control (+):0.04135±0.00089
Plate DMSO Control (-):0.692175±0.12595
Plate Z-Factor:0.3964
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DBLink | Rows returned: 81 2 Next >> 
3451
392792
442595
5281632
5353639
5380091

internal high similarity DBLink | Rows returned: 4
SPE00201524 0.9387
SPE00201522 0.9660
SPE10100009 0.9664
SPE00201539 0.9769

active | Cluster 84 | Additional Members: 8 | Rows returned: 6
SPE00201538 0.612403100775194
SPE00201540 0.410714285714286
SPE00201524 0.339449541284404
SPE00201539 0.333333333333333
SPE00210746 0.26605504587156
SPE00201522 0.104166666666667

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