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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: 110 active | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [110]
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.3505±0.00735391
Normalized OD Score: sc h 0.6283±0.0249595
Z-Score: -11.7009±0.465045
p-Value: 2.88048e-30
Z-Factor: -3.27278
Fitness Defect: 68.0196
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.00 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00030
Plate DMSO Control (-):0.5528249999999999±0.18101
Plate Z-Factor:-0.2467
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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

nonactive | Cluster 2298 | Additional Members: 5 | Rows returned: 3
Prest876 0
LOPAC 01123 0
LAT003F02 0

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