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Compound InformationSONAR Target prediction
Name:

GARCINOLIC ACID

Unique Identifier:SPE00201539
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:600.401 g/mol
X log p:9.617  (online calculus)
Lipinksi Failures1
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:9
Canonical Smiles:CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C(CCC=C4C(=O)c3c(O)c2C=C1)C(C)(C)OC5
(CC=C(C)C(O)=O)C(O)=O
Class:xanthone
Source:Garcinia spp.; also hydrolysis product of gambogic acid
Reference:Ann Chim 56: 232 (1966)

Found: 505 nonactive | as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [505]
Species: 4932
Condition: SPE00100005
Replicates: 2
Raw OD Value: r im 0.0546±0.00127279
Normalized OD Score: sc h 0.7066±0.0180935
Z-Score: -2.0222±0.0034632
p-Value: 0.0431516
Z-Factor: -2.4496
Fitness Defect: 3.143
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.039624999999999994±0.00108
Plate DMSO Control (-):0.094275±0.28020
Plate Z-Factor:-2.0734
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DBLink | Rows returned: 3
3422050
6710618
6857794

internal high similarity DBLink | Rows returned: 5
SPE00201540 0.9183
SPE00201522 0.9436
SPE10100009 0.9442
SPE00201524 0.9609
SPE00200007 0.9769

active | Cluster 84 | Additional Members: 8 | Rows returned: 6
SPE00201538 0.612403100775194
SPE00201540 0.410714285714286
SPE00201524 0.339449541284404
SPE00210746 0.26605504587156
SPE00201522 0.104166666666667
SPE00200007 0

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