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Compound InformationSONAR Target prediction
Name:

TANNIC ACID

Unique Identifier:SPE01504105
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:1648.79 g/mol
X log p:49.324  (online calculus)
Lipinksi Failures3
TPSA272.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:46
Rotatable Bond Count:31
Canonical Smiles:Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=
O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2
)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(
OC(=O)c2cc(O)c(O)c(O)c2)c1
Class:aromatic
Source:principal constituent of tree galls, esp Quercus spp;
Reference:mixed galloyl esters of penta-o-galloylglucose (m-digalloyl shown)
Therapeutics:nonspecific enzyme/receptor blocker

Found: 183 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [183]
Species: 4932
Condition: CCR4
Replicates: 2
Raw OD Value: r im 0.1732±0.00205061
Normalized OD Score: sc h 0.2725±0.00531604
Z-Score: -31.0119±0.461332
p-Value: 0
Z-Factor: 0.815218
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.70 Celcius
Date:2008-04-16 YYYY-MM-DD
Plate CH Control (+):0.041875±0.00122
Plate DMSO Control (-):0.61315±0.02421
Plate Z-Factor:0.8490
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 132 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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