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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 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: MET16
Replicates: 2
Raw OD Value: r im 0.6594±0.0176777
Normalized OD Score: sc h 0.9934±0.023178
Z-Score: -0.3251±1.16796
p-Value: 0.433136
Z-Factor: -20.5076
Fitness Defect: 0.8367
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-10-18 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00048
Plate DMSO Control (-):0.6506000000000001±0.06275
Plate Z-Factor:0.6639
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DBLink | Rows returned: 103<< Back 11 12 13 14 15 16 17 18 Next >> 
7099881 (3S,5R,6R,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
7099882 (3S,5R,6R,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
7099883 (3S,5R,6R,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
7163283 (3S,5R,6R,8R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
7173400 (3S,5R,6S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
7173401 (3S,5R,6S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol

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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