Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 51 52 53 54 55 56 57 58 59 60  Next >> [530]
Species: 4932
Condition: SPE00100305
Replicates: 2
Raw OD Value: r im 0.5209±0.0366281
Normalized OD Score: sc h 0.9976±0.0215391
Z-Score: -0.0700±0.780135
p-Value: 0.58212
Z-Factor: -14.7264
Fitness Defect: 0.5411
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:21.60 Celcius
Date:2006-12-14 YYYY-MM-DD
Plate CH Control (+):0.038974999999999996±0.00140
Plate DMSO Control (-):0.558475±0.02415
Plate Z-Factor:0.9102
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory