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

Compound InformationSONAR Target prediction
Name:

SCANDENIN

Unique Identifier:SPE00300348
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H26O6
Molecular Weight:408.275 g/mol
X log p:15.059  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c2OC(=O)C(=C(O)c12)c1ccc(O)cc1
Source:ex Derris scandens
Reference:Tet Letters 1964: 1209, 2817

Found: 313 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [313]
Species: 4932
Condition: SPE01501016
Replicates: 2
Raw OD Value: r im 0.0459±0
Normalized OD Score: sc h 0.0842±0
Z-Score: -4.8677±0
p-Value: 0.00000112909
Z-Factor: 0.307051
Fitness Defect: 13.6941
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00060
Plate DMSO Control (-):0.60045±0.12147
Plate Z-Factor:0.3176
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00300228 0.9946

nonactive | Cluster 7497 | Additional Members: 7 | Rows returned: 6
SPE00201355 0.59493670886076
SPE00211566 0.557894736842105
SPE00201584 0.527472527472527
SPE00201581 0.463414634146341
SPE00201580 0.180555555555556
SPE00201595 0

Service provided by the Mike Tyers Laboratory