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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 41 42 43 44 45 46 47 48 49 50  Next >> [149]
Species: 4932
Condition: SPE01500811
Replicates: 2
Raw OD Value: r im 0.3631±0.0502753
Normalized OD Score: sc h 0.6264±0.036598
Z-Score: -3.5638±0.0351769
p-Value: 0.00036713
Z-Factor: 0.361613
Fitness Defect: 7.9098
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-11-17 YYYY-MM-DD
Plate CH Control (+):0.0408±0.00155
Plate DMSO Control (-):0.7442249999999999±0.03383
Plate Z-Factor:0.7862
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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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