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Compound InformationSONAR Target prediction
Name:

POMIFERIN

Unique Identifier:SPE00201580
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:396.264 g/mol
X log p:15.175  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCc1c(O)c2C(=O)C(=COc2c2C=CC(C)(C)Oc12)c1ccc(O)c(O)c1
Class:isoflavone
Source:Maclura pomifera
Reference:JACS 61:2832 (1939); 62:651 (1940); 63:1253 (1941); 68:406 (1946)
Therapeutics:antioxidant

Found: 111 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [111]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.1274±0.0260922
Normalized OD Score: sc h 0.2025±0.0297919
Z-Score: -13.4851±0.716923
p-Value: 8.1419e-39
Z-Factor: 0.737201
Fitness Defect: 87.7038
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2006-02-08 YYYY-MM-DD
Plate CH Control (+):0.040275000000000005±0.00149
Plate DMSO Control (-):0.5824±0.02309
Plate Z-Factor:0.8578
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DBLink | Rows returned: 1
4871

internal high similarity DBLink | Rows returned: 1
SPE00201595 0.9526

nonactive | Cluster 7497 | Additional Members: 7 | Rows returned: 6
SPE00201355 0.59493670886076
SPE00211566 0.557894736842105
SPE00201584 0.527472527472527
SPE00300348 0.476190476190476
SPE00201581 0.463414634146341
SPE00201595 0

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