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

Compound InformationSONAR Target prediction
Name:

ANTHOTHECOL

Unique Identifier:SPE00100005
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:448.295 g/mol
X log p:9.29  (online calculus)
Lipinksi Failures1
TPSA82.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1CC2(C)C(CC3OC32C2(C)C1C1(C)C=CC(=O)C(C)(C)C1=C(O)C2=O)c1cocc1
Class:limonoid
Source:also as 11-ACETOXYCEDRELONE
Reference:J Chem Soc 1963:983; 1970: 205; Nature 207:1101(1965)

Found: 307 nonactive | as graph: single | with analogs [1] << Back 201 202 203 204 205 206 207 208 209 210  Next >> [307]
Species: 4932
Condition: PPZ1
Replicates: 2
Raw OD Value: r im 0.7904±0.00968736
Normalized OD Score: sc h 0.9465±0.0119776
Z-Score: -2.7175±0.690301
p-Value: 0.013567
Z-Factor: -0.987813
Fitness Defect: 4.3001
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-05-17 YYYY-MM-DD
Plate CH Control (+):0.038349999999999995±0.00158
Plate DMSO Control (-):0.8157000000000001±0.01888
Plate Z-Factor:0.9168
png
ps
pdf

DBLink | Rows returned: 2
99980
6708503

internal high similarity DBLink | Rows returned: 1
SPE00100009 0.9595

active | Cluster 9059 | Additional Members: 3 | Rows returned: 2
SPE00100009 0.390804597701149
LAT001A02 0

Service provided by the Mike Tyers Laboratory