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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: 100 active | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100 Next >> [100]
Species: 4932
Condition: SWI4
Replicates: 2
Raw OD Value: r im 0.2689±0.00452548
Normalized OD Score: sc h 0.4690±0.00668816
Z-Score: -23.7498±0.208412
p-Value: 0
Z-Factor: 0.78597
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.042249999999999996±0.00090
Plate DMSO Control (-):0.5550999999999999±0.01721
Plate Z-Factor:0.8932
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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

nonactive | Cluster 1426 | Additional Members: 2 | Rows returned: 1
SPE00200873 0.523076923076923

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