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Compound InformationSONAR Target prediction
Name:

12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE

Unique Identifier:SPE00202175
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:324.2 g/mol
X log p:13.364  (online calculus)
Lipinksi Failures1
TPSA46.15
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc2C=C3c4cc(OC)c(OC)cc4OCC3(O)Oc2c1
Class:rotenoid
Source:derivative

Found: 604 nonactive | as graph: single | with analogs [1] << Back 431 432 433 434 435 436 437 438 439 440  Next >> [604]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.5535±0.00367696
Normalized OD Score: sc h 0.9405±0.00147964
Z-Score: -2.4511±0.0623942
p-Value: 0.0143346
Z-Factor: -0.801697
Fitness Defect: 4.2451
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00063
Plate DMSO Control (-):0.582025±0.02164
Plate Z-Factor:0.8624
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DBLink | Rows returned: 1
4620898

internal high similarity DBLink | Rows returned: 0

active | Cluster 1665 | Additional Members: 1 | Rows returned: 0
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