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Compound InformationSONAR Target prediction
Name:

alpha-MANGOSTIN

Unique Identifier:SPE01504015
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:384.253 g/mol
X log p:9.508  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:5
Canonical Smiles:COc1c(O)cc2Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)c2c1CC=C(C)C
Class:xanthone
Source:Garcinia mangostana, Hydnocarpus octandra, H venenata
Reference:JACS 80:1691 (1958); Aust J Chem 23:2539 (1970); Tetrahedron 27:3919 (1971);
Phytochemistry 12:232 (1973)

Found: 121 active | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [121]
Species: 4932
Condition: REF2
Replicates: 2
Raw OD Value: r im 0.2519±0.0453255
Normalized OD Score: sc h 0.5704±0.0371707
Z-Score: -12.3772±0.952208
p-Value: 6.08852e-32
Z-Factor: 0.506939
Fitness Defect: 71.8763
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-08-27 YYYY-MM-DD
Plate CH Control (+):0.043125±0.00163
Plate DMSO Control (-):0.41495000000000004±0.01292
Plate Z-Factor:0.8429
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DBLink | Rows returned: 1
5281650 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 18131 | Additional Members: 2 | Rows returned: 1
SPE00100528 0.507462686567164

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