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Compound InformationSONAR Target prediction
Name:

OLEANANOIC ACID ACETATE

Unique Identifier:SPE00240871
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C32H52O4
Molecular Weight:448.34 g/mol
X log p:0.014  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(CCC23C)C(O)=O)C1(C)C
Source:ex Machaerium kuhlmannii and Helichrysum chrysargyrum
Reference:Phytochemistry 18: 1375 (1979)

Found: 101 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6829±0.0119501
Normalized OD Score: sc h 0.9728±0.00667606
Z-Score: -1.4771±0.340414
p-Value: 0.151068
Z-Factor: -9.95038
Fitness Defect: 1.89
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042025±0.00108
Plate DMSO Control (-):0.679925±0.04700
Plate Z-Factor:0.6990
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DBLink | Rows returned: 291[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [49]
620523 [3-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxo-heptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah
ydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
621344 n/a
623382 n/a
623491 (6b-formyl-4,4a,6a,8a,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-
3-yl) acetate
624245 [5-[2-(2,2-dimethyl-5-oxo-cyclopentyl)ethyl]-4a-methyl-6-oxo-decalin-2-yl] acetate
630983 [3-acetyloxy-10,13-dimethyl-17-(5-oxopentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy
clopenta[a]phenanthren-11-yl] acetate

internal high similarity DBLink | Rows returned: 10<< Back 1 2
NRB 03875 1.0000
NRB 03697 1.0000
NRB 03692 1.0000
SPE00107113 1.0000

active | Cluster 9057 | Additional Members: 1 | Rows returned: 0

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