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Compound InformationSONAR Target prediction
Name:

IRIGINOL HEXAACEATATE

Unique Identifier:SPE00211012
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:548.281 g/mol
X log p:8.227  (online calculus)
Lipinksi Failures3
TPSA184.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:14
Rotatable Bond Count:13
Canonical Smiles:CC(=O)Oc1cc2OC=C(C(=O)c2c(OC(C)=O)c1OC(C)=O)c1cc(OC(C)=O)c(OC(C)=O)c(O
C(C)=O)c1
Class:isoflavone
Source:semisynthetic

Found: 128 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [128]
Species: 4932
Condition: GCN5
Replicates: 2
Raw OD Value: r im 0.2343±0.0293449
Normalized OD Score: sc h 0.8727±0.0302999
Z-Score: -2.1808±0.50445
p-Value: 0.03965
Z-Factor: -18.2981
Fitness Defect: 3.2277
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-30 YYYY-MM-DD
Plate CH Control (+):0.041425000000000003±0.00082
Plate DMSO Control (-):0.2666±0.05913
Plate Z-Factor:0.1011
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DBLink | Rows returned: 1
3505890 [5,7-diacetyloxy-4-oxo-3-(3,4,5-triacetyloxyphenyl)chromen-6-yl] acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 1426 | Additional Members: 2 | Rows returned: 0

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