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Compound InformationSONAR Target prediction
Name:

BACCATIN III

Unique Identifier:SPE01505034
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C31H38O11
Molecular Weight:548.325 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(
C)=C1C2(C)C
Class:diterpene
Source:Taxus baccata
Reference:J Org Chem 51:3239 (1986)

Found: 104 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [104]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.6198±0.00473762
Normalized OD Score: sc h 0.9883±0.00643083
Z-Score: -0.5447±0.278632
p-Value: 0.593174
Z-Factor: -13.6386
Fitness Defect: 0.5223
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00128
Plate DMSO Control (-):0.606325±0.01610
Plate Z-Factor:0.9119
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 10247 | Additional Members: 8 | Rows returned: 1
SPE01503908 0

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