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Compound InformationSONAR Target prediction
Name:

ACETYL ISOALLOGAMBOGIC ACID

Unique Identifier:SPE00210746
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C40H46O9
Molecular Weight:624.423 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(C)=CCCC1(C)Oc2c(C=C1)c(OC(C)=O)c(CC=C(C)C)c1OC34C5CC(C=C3C(=O)c12)C
(=O)C4(CC=C(C)C(O)=O)OC5(C)C
Class:xanthone
Source:derivative (structure tentative)
Reference:J Chem Soc 1966:772

Found: 87 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [87]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.6882±0.00268701
Normalized OD Score: sc h 0.9846±0.00277948
Z-Score: -0.7962±0.174899
p-Value: 0.429426
Z-Factor: -4.43196
Fitness Defect: 0.8453
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041550000000000004±0.00065
Plate DMSO Control (-):0.68205±0.01405
Plate Z-Factor:0.9296
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 84 | Additional Members: 8 | Rows returned: 6
SPE00201538 0.612403100775194
SPE00201540 0.410714285714286
SPE00201524 0.339449541284404
SPE00201539 0.333333333333333
SPE00201522 0.104166666666667
SPE00200007 0

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