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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 << Back 1 2 3 Next >> 
Species: 4932
Condition: MED2
Replicates: 2
Raw OD Value: r im 0.1341±0.0519016
Normalized OD Score: sc h 0.2455±0.0960759
Z-Score: -33.2223±4.7834
p-Value: 0
Z-Factor: 0.455223
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-29 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00106
Plate DMSO Control (-):0.5324249999999999±0.02087
Plate Z-Factor:0.8645
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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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