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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: 530 nonactive | as graph: single | with analogs [1] << Back 501 502 503 504 505 506 507 508 509 510  Next >> [530]
Species: 4932
Condition: HXT1
Replicates: 2
Raw OD Value: r im 0.6606±0.0092631
Normalized OD Score: sc h 0.9342±0.0102849
Z-Score: -3.4740±0.609547
p-Value: 0.00121833
Z-Factor: -27.8145
Fitness Defect: 6.7103
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-11-27 YYYY-MM-DD
Plate CH Control (+):0.040624999999999994±0.00073
Plate DMSO Control (-):0.6894750000000001±0.20317
Plate Z-Factor:-0.0446
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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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