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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 131 132 133 134 135 136 137 138 139 140  Next >> [183]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.0612±0.00162635
Normalized OD Score: sc h 0.4506±0.00303504
Z-Score: -39.3597±2.10163
p-Value: 0
Z-Factor: 0.368574
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-09-27 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00034
Plate DMSO Control (-):0.5515749999999999±0.09908
Plate Z-Factor:0.3992
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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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