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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 81 82 83 84 85 86 87 88 89 90  Next >> [110]
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.7139±0.0172534
Normalized OD Score: sc h 0.9361±0.000866542
Z-Score: -4.3660±0.0924256
p-Value: 0.0000131986
Z-Factor: -45.7809
Fitness Defect: 11.2354
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.04135±0.00345
Plate DMSO Control (-):0.7400500000000001±0.19044
Plate Z-Factor:0.0919
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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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