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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 71 72 73 74 75 76 77 78 79 80  Next >> [110]
Species: 4932
Condition: KAP123
Replicates: 2
Raw OD Value: r im 0.4955±0.00459619
Normalized OD Score: sc h 0.8788±0.00148268
Z-Score: -4.8627±0.310796
p-Value: 0.0000019039
Z-Factor: -19.3754
Fitness Defect: 13.1716
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-11-09 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00069
Plate DMSO Control (-):0.546225±0.13903
Plate Z-Factor:0.0504
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DBLink | Rows returned: 16<< Back 1 2 3
6708471
6746983
7251185
16057519

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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