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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 [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [205]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9910±0
Normalized OD Score: sc h 0.9716±0
Z-Score: -1.2071±0
p-Value: 0.227394
Z-Factor: -3.61086
Fitness Defect: 1.4811
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:16|C7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.095±0.00936
Plate DMSO Control (-):0.994±0.03203
Plate Z-Factor:0.8619
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DBLink | Rows returned: 103<< Back 11 12 13 14 15 16 17 18 Next >> 
5326310 (1S,2S,4S)-1-methyl-4-propan-2-yl-cyclohexane-1,2,4-triol
5458700 n/a
5458701 n/a
6427109 (3R,5R,10S,11S,13S,17R)-17-(1,2-dihydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradec
ahydrocyclopenta[a]phenanthrene-3,11,17-triol
6429572 (3R,5R,11S,17R)-17-[(1R)-1,2-dihydroxyethyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclope
nta[a]phenanthrene-3,11,17-triol
6431164 (3R,6R)-1-methylcyclohexane-1,2,3,4,5,6-hexol

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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