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Compound InformationSONAR Target prediction
Name:

PERUVOSIDE

Unique Identifier:SPE01501113
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H44O9
Molecular Weight:505.324 g/mol
X log p:1.897  (online calculus)
Lipinksi Failures0
TPSA71.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:5
Canonical Smiles:COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(CCC43O)C3COC(=O)C=3)C2)C1O
Therapeutics:cardiotonic

Found: 114 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6941±0.00537401
Normalized OD Score: sc h 0.9945±0.0105396
Z-Score: -0.2968±0.568098
p-Value: 0.700656
Z-Factor: -15.4218
Fitness Defect: 0.3557
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041749999999999995±0.00094
Plate DMSO Control (-):0.6774±0.12158
Plate Z-Factor:0.3943
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DBLink | Rows returned: 71 2 Next >> 
4749 3-(3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,
5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
14449 (3S,5R,10R,13R,14S,17S)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-13-methyl-1
7-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carb
aldehyde
58387 (3S,5S,10R,13R,14S,17S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-13-methyl-1
7-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carb
aldehyde
189519 acetic acid;
3-(3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,
5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
5320498 3-[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-fur
an-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
5702166 (3S,5R,10R,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-13
-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren
e-10-carbaldehyde

internal high similarity DBLink | Rows returned: 6
LOPAC 01110 0.9314
SPE00100588 0.9314
SPE01500676 0.9314
SPE01501136 0.9412
SPE00100698 0.9712
SPE01503994 0.9712

active | Cluster 12609 | Additional Members: 16 | Rows returned: 4
SPE01500246 0.472222222222222
SPE00100568 0.432432432432432
SPE00100291 0.344444444444444
SPE00100588 0.239130434782609

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