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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: 128 active | as graph: single | with analogs [1] << Back 111 112 113 114 115 116 117 118 119 120  Next >> [128]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.5565±0.0303349
Normalized OD Score: sc h 0.8230±0.0188087
Z-Score: -7.5906±0.764239
p-Value: 0.000000000000893566
Z-Factor: 0.170631
Fitness Defect: 27.7436
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00141
Plate DMSO Control (-):0.675825±0.02015
Plate Z-Factor:0.8789
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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

nonactive | 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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