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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 1 2 3 4 5 6 7 8 9 10  Next >> [110]
Species: 4932
Condition: SPE00307050
Replicates: 2
Raw OD Value: r im 0.0759±0
Normalized OD Score: sc h 0.1049±0
Z-Score: -8.0485±0
p-Value: 8.38396e-16
Z-Factor: 0.80853
Fitness Defect: 34.715
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 (+):0.0398±0.00113
Plate DMSO Control (-):0.7532±0.04375
Plate Z-Factor:0.8143
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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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