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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 261 262 263 264 265 266 267 268 269 270  Next >> [295]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.6414±0.0157685
Normalized OD Score: sc h 0.8974±0.0151174
Z-Score: -4.7532±0.7038
p-Value: 0.0000105031
Z-Factor: -0.22977
Fitness Defect: 11.4638
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.039999999999999994±0.00081
Plate DMSO Control (-):0.6819500000000001±0.01901
Plate Z-Factor:0.9244
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DBLink | Rows returned: 102 Next >> 
5204 5-(8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl)benzo[1,3]dioxole
72307 5-[(1R,4S,5R,8S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole
101612 5-[(1R,4R,5R,8S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole
130679 4-(4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenol
233333 5-[(1S,4S,5S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole
382073 5-[(1S,4R,5S,8R)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole

internal high similarity DBLink | Rows returned: 0

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

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