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

Compound InformationSONAR Target prediction
Name:

MARMESIN ACETATE

Unique Identifier:SPE01504163
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.168 g/mol
X log p:8.405  (online calculus)
Lipinksi Failures1
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC(C)(C)C1Cc2cc3C=CC(=O)Oc3cc2O1
Class:coumarin
Source:Amyris elemifera

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: DBP3
Replicates: 2
Raw OD Value: r im 0.6816±0.00700036
Normalized OD Score: sc h 1.0242±0.00728519
Z-Score: 1.2603±0.424645
p-Value: 0.227828
Z-Factor: -6.16833
Fitness Defect: 1.4792
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2007-09-13 YYYY-MM-DD
Plate CH Control (+):0.04015±0.00045
Plate DMSO Control (-):0.6706±0.05593
Plate Z-Factor:0.7255
png
ps
pdf

DBLink | Rows returned: 2
3649024
6708816

internal high similarity DBLink | Rows returned: 0

active | Cluster 302 | Additional Members: 10 | Rows returned: 4
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193

Service provided by the Mike Tyers Laboratory