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Compound InformationSONAR Target prediction
Name:

PERSEITOL

Unique Identifier:SPE00202130
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:196.071 g/mol
X log p:-3.419  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:6
Canonical Smiles:OCC(O)C(O)C(O)C(O)C(O)CO
Class:carbohydrate
Source:Persia spp.
Reference:J Am Chem Soc 61: 339 (1939); Carbohydr Res 150: 35 (1986)

Found: 205 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6925±0.00219203
Normalized OD Score: sc h 0.9870±0.0103505
Z-Score: -0.7106±0.573019
p-Value: 0.512278
Z-Factor: -35.5472
Fitness Defect: 0.6689
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042025±0.00108
Plate DMSO Control (-):0.679925±0.04700
Plate Z-Factor:0.6990
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DBLink | Rows returned: 103<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
185258 (3S,4R,5S,6S,8S,9R,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,
3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15,16-hexol
185259 (3S,5S,6S,8S,9R,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethyl-1,2
,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
189600 n/a
198181 n/a
207342 n/a
207666 n/a

internal high similarity DBLink | Rows returned: 2
SPE01504117 0.9375
NRB 03774 1.0000

active | Cluster 2846 | Additional Members: 7 | Rows returned: 0

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