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Compound InformationSONAR Target prediction
Name:

PARTHENOLIDE

Unique Identifier:SPE01503640
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:228.159 g/mol
X log p:2.151  (online calculus)
Lipinksi Failures0
TPSA38.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(OC(=O)C2=C)C2OC2(C)CCC=1
Class:sesquiterpene
Source:Chrysanthemum parthenium, Michelia champaca
Reference:Tetrahedron 21:1509 (1965); Phytochemistry 17:957 (1978); 39:839 (1995); Br J
Pharmacol 112:9 (1994)
Therapeutics:5HT antagonist, antineoplastic, smooth muscle relaxant

Found: 530 nonactive | as graph: single | with analogs [1] << Back 331 332 333 334 335 336 337 338 339 340  Next >> [530]
Species: 4932
Condition: SPE01500994
Replicates: 2
Raw OD Value: r im 0.7803±0.0630032
Normalized OD Score: sc h 0.9765±0.018935
Z-Score: -0.6063±0.501423
p-Value: 0.568936
Z-Factor: -2.89627
Fitness Defect: 0.564
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.0388±0.00283
Plate DMSO Control (-):0.8034250000000001±0.12267
Plate Z-Factor:0.8763
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DBLink | Rows returned: 161 2 3 Next >> 
4692
108068
927704
5320420
5353864
5420804

internal high similarity DBLink | Rows returned: 1
LOPAC 01123 1.0000

active | Cluster 2298 | Additional Members: 5 | Rows returned: 2
LOPAC 01123 0
LAT003F02 0

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