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Compound InformationSONAR Target prediction
Name:

ASARININ (-)

Unique Identifier:SPE01504180
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:336.21 g/mol
X log p:14.384  (online calculus)
Lipinksi Failures1
TPSA55.38
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:C1Oc2ccc(cc2O1)C1OCC2C1COC2c1ccc2OCOc2c1
Class:aromatic
Source:Asarum & Xanthoxylum spp
Reference:Aust J Chem 1: 384 (1954); 26: 687 (1973)
Therapeutics:antibacterial (tuberculostatic)

Found: 295 active | as graph: single | with analogs [1] << Back 251 252 253 254 255 256 257 258 259 260  Next >> [295]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.6516±0.000282843
Normalized OD Score: sc h 0.9142±0.00464724
Z-Score: -4.1636±0.151408
p-Value: 0.0000346436
Z-Factor: -0.456634
Fitness Defect: 10.2704
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.042575±0.00072
Plate DMSO Control (-):0.6821±0.02386
Plate Z-Factor:0.8899
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DBLink | Rows returned: 10<< Back 1 2
5315338 4-[(1R,4S,5R,8R)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]-2-methoxy-phenol
7059610 5-[(1S,4S,5R,8S)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]benzo[1,3]dioxole
7059611 5-[(1S,4S,5R,8R)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]benzo[1,3]dioxole
7566371 5-[(1S,4R,5R,8S)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]benzo[1,3]dioxole

internal high similarity DBLink | Rows returned: 0

active | Cluster 9360 | Additional Members: 8 | Rows returned: 1
LAT001B05 0

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