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Compound InformationSONAR Target prediction
Name:

PSOROMIC ACID HYDRATE

Unique Identifier:SPE01504106
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O9
Molecular Weight:360.187 g/mol
X log p:3.932  (online calculus)
Lipinksi Failures0
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:3
Canonical Smiles:COc1cc(C(O)=O)c2Oc3c(C(O)O)c(O)cc(C)c3C(=O)Oc2c1C
Source:ex Usnea spp; dehydrates to psoromic acid at 250 C

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.7054±0.00148492
Normalized OD Score: sc h 0.9399±0.00274941
Z-Score: -4.1079±0.219034
p-Value: 0.0000486826
Z-Factor: -0.430798
Fitness Defect: 9.9302
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.20 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00063
Plate DMSO Control (-):0.735275±0.02082
Plate Z-Factor:0.9061
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DBLink | Rows returned: 1
3344819

internal high similarity DBLink | Rows returned: 2
SPE00200489 0.9200
SPE00200040 0.9796

active | Cluster 8237 | Additional Members: 3 | Rows returned: 1
SPE00200040 0.328125

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