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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 11 12 13 14 15 16 17 18 19 20  Next >> [110]
Species: 4932
Condition: SPE01500325
Replicates: 2
Raw OD Value: r im 0.0459±0
Normalized OD Score: sc h 0.1952±0
Z-Score: -7.1306±0
p-Value: 0.000000000000999458
Z-Factor: 0.717955
Fitness Defect: 27.6316
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00059
Plate DMSO Control (-):0.2352±0.01770
Plate Z-Factor:0.7192
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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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