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Compound InformationSONAR Target prediction
Name:

DIHYDROCELASTROL

Unique Identifier:SPE01504082
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:412.308 g/mol
X log p:3.904  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:Cc1c(O)c(O)cc2c1CC=C1C2(C)CCC2(C)C3CC(C)(CCC3(C)CCC12C)C(O)=O
Class:triterpene
Source:celastrol derivative
Reference:J Org Chem 30: 1729 (1965)

Found: 149 nonactive | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [149]
Species: 4932
Condition: PRE9
Replicates: 2
Raw OD Value: r im 0.5681±0.0150614
Normalized OD Score: sc h 0.9358±0.0103244
Z-Score: -2.4388±0.36168
p-Value: 0.0180401
Z-Factor: -1.03335
Fitness Defect: 4.0152
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-10-04 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00056
Plate DMSO Control (-):0.6090249999999999±0.01824
Plate Z-Factor:0.9060
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DBLink | Rows returned: 2
5029154 10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid
6708673 (2R,4aR,6aS,6aR,14aS)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picen
e-2-carboxylic acid

internal high similarity DBLink | Rows returned: 1
SPE01504207 0.9262

active | Cluster 3682 | Additional Members: 3 | Rows returned: 1
SPE01504207 0.150684931506849

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