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Compound InformationSONAR Target prediction
Name:

SUMARESINOLIC ACID

Unique Identifier:SPE01505133
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H48O4
Molecular Weight:424.319 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2C1)C(O)=O
Class:triterpene
Source:Styrax benzoin, Enkianthus campanulatus, Orthopterygium huancuy
Reference:Helv Chim Acta 38:1304 (1955)

Found: 3 active | as graph: single | with analogs 1 2 3 Next >> 
Species: 4932
Condition: DOA4
Replicates: 2
Raw OD Value: r im 0.7464±0.00636396
Normalized OD Score: sc h 1.1055±0.0189908
Z-Score: 4.1801±0.636666
p-Value: 0.0000975842
Z-Factor: -0.271362
Fitness Defect: 9.2348
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.041499999999999995±0.00213
Plate DMSO Control (-):0.646325±0.01704
Plate Z-Factor:0.9058
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1623 | Additional Members: 8 | Rows returned: 6
SPE00100552 0.4625
SPE01800123 0.328767123287671
SPE00100360 0.304347826086957
SPE01504016 0.256756756756757
SPE00102058 0.246575342465753
SPE00100550 0

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