Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: 100 nonactive | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6727±0.00233345
Normalized OD Score: sc h 1.0005±0.0000105704
Z-Score: 0.0172±0.000490952
p-Value: 0.986296
Z-Factor: -17.797
Fitness Defect: 0.0138
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.042575±0.00247
Plate DMSO Control (-):0.6584749999999999±0.01937
Plate Z-Factor:0.9430
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory