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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: 105 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [105]
Species: 4932
Condition: KAP123
Replicates: 2
Raw OD Value: r im 0.5252±0.00742462
Normalized OD Score: sc h 0.9521±0.0137082
Z-Score: -1.9414±0.69622
p-Value: 0.0811228
Z-Factor: -4.40779
Fitness Defect: 2.5118
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-11-09 YYYY-MM-DD
Plate CH Control (+):0.04115±0.00062
Plate DMSO Control (-):0.549025±0.02861
Plate Z-Factor:0.8193
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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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