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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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6411±0.00275772
Normalized OD Score: sc h 0.9954±0.0151094
Z-Score: 0.0949±0.812469
p-Value: 0.567374
Z-Factor: -79.4579
Fitness Defect: 0.5667
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041624999999999995±0.00154
Plate DMSO Control (-):0.6209250000000001±0.01362
Plate Z-Factor:0.9283
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DBLink | Rows returned: 103<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
125259 (1S,2S,3S,4R,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
133494 (3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,
11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol
171535 n/a
181083 (3S,5S,6S,9R,10R,13R,14S,15S,16R,17R)-17-[(2R,6S)-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-3,6,8,15,16-pentol
185255 (3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,3,4
,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol
185257 (3S,5R,6R,7S,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,
3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7,15,16-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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