Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3ß)- (CED0162316)

Record Information
Version1.0
Creation Date2026-04-04 19:15:54 UTC
Update Date2026-04-04 19:15:54 UTC
SynCED IDCED0162316
Secondary Accession Numbers
  • CHEM079029
Identification
Common NameLup-20(29)-en-28-oic acid, 3-hydroxy-, (3ß)-
ClassSmall Molecule
Description
Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3ß)- belongs to the triterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C30H48O3. It has been recorded in three sources, including food, food processing and cookware specifically in the preparation of vinegar, as well as household cleaning and consumer products such as tobacco product cases, cigarettes, and cigars. The compound is associated with several therapeutic effects across various malignancies. It has demonstrated therapeutic effects on cancer (PMC2877157 ), breast cancer (PMC10144513 , PMC5617437 ), lung cancer (PMC10144513 ), colon cancer (PMC3128656 ), melanoma (PMC2877157 , PMC5617437 ), and multiple myeloma (PMC2877157 ). Additionally, it is used as a treatment for pancreatic cancer (PMC3636171 ).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC30H48O3
Average Molecular MassNot Available
Monoisotopic Mass456.360 g/mol
CAS Registry Number472-15-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)
InChI KeyQGJZLNKBHJESQX-FZFNOLFKSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0019400000-d634f687c0b20b3bf518Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0019400000-946b3acbf03ebc325984Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06vi-0009700000-133d884e7fe1aabfb659Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-06vr-0019800000-a2c226a96551460f31b8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0000411190-9e794d71d8e215a3ef7fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0000511290-00b42fd32f4bea1aac24Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009100000-02c4ffe35137e2459ef9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009100000-b369b92782bf0058f776Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000900000-31877b3328749253f478Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000900000-46226c91dca257ecbdbeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0119300000-d165dda7f84c911bb084Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0119400000-c8efa7eb386af139bbbbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000900000-5daf110b6535ef5e1cbaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000900000-1a6ea554c157db014b7cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01p9-0000900000-95cc62b5cf4bd28b6108Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01p9-0000900000-1a328cc168bc37caf6d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4r-0920300000-e3035523b40f714793c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0000900000-d90a9a8ffded459e1b38Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0000900000-99c8bb2b318a1cfdacefNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0000900000-26c9ac2cc5fd510e060cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0920000000-d7adbf7cd24553b6d057Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4l-0322900000-2b4d5bf8dc60188f535bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ap0-0974500000-e1767b9e313cb83c49e5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-0001900000-b8dd0421a0b0886464d3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01vy-0007900000-fa6391d5931c416add2dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0016-3359300000-9f556d5f0a61208b8cdeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000900000-5567c27847c37f89e74fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08fu-0003900000-4699eedd9cf8bfc1aa61Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000e-2007900000-4109b9ad459c3012d1abNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000900000-0d11296813b631a2140fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000900000-0d11296813b631a2140fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08i1-0003900000-d88823a71b6ea0bf9c99Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0002900000-ec5d91687856cf570b0fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0793500000-2cbd8c5dfac92d0d4ec2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-5952100000-29ed585d5de3913c8194Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2337.0 Log mg/kg [1300:4200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
lung cancerHas Therapeutic Effect OnNot AvailableA respiratory system cancer that is located in the lung. (DO)PMC10144513
cancerHas Therapeutic Effect OnNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC2877157 , PMC10487995
breast cancerHas Therapeutic Effect OnNot AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC10144513 , PMC5617437
multiple myelomaHas Therapeutic Effect OnNot AvailableA myeloid neoplasm that is located in the plasma cells in bone marrow. (DO)PMC2877157
melanomaHas Therapeutic Effect OnNot AvailableA cell type cancer that has material basis in abnormally proliferating cells derives from melanocytes which are found in skin, the bowel and the eye. (DO)PMC2877157 , PMC5617437
colon cancerHas Therapeutic Effect OnNot AvailableNot AvailablePMC3128656
glioblastomaHas Therapeutic Effect OnNot AvailableA type of brain tumor characterized by its aggressiveness and believed to originate from astrocytes.PMC2877157
neuroblastomaHas Therapeutic Effect OnNot AvailableAn autonomic nervous system neoplasm that derives from immature nerve cells. (DO)PMC2877157
pancreatic cancerNot AvailableNot AvailableAn endocrine gland cancer located in the pancreas. (DO)PMC3636171
influenzaHas Therapeutic Effect OnNot AvailableA viral infectious disease that results in infection, located in respiratory tract, has material basis in Influenzavirus A, has material basis in Influenzavirus B, or has material basis in Influenzavirus C, which are transmitted by droplet spread of oronasal secretions during coughing, sneezing, or talking from an infected person. It is a highly contagious disease that affects birds and mammals and has symptom chills, has symptom fever, has symptom sore throat, has symptom runny nose, has symptom muscle pains, has symptom severe headache, has symptom cough, and has symptom weakness. (DO)PMC8347892
lung carcinomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC6471197
breast carcinomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC2877157 , PMC2877157
prostate carcinomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC2877157 , PMC2877157
Cell DeathAssociated With?Not AvailableNot AvailablePMC2877157 , PMC2877157
ImmunomodulationHas Therapeutic Effect OnNot AvailableNot AvailablePMC7912660
colon adenocarcinomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC6471197
Antineoplastic AgentsHas Therapeutic Effect OnNot AvailableNot AvailablePMC7912660
Exposure Sources
Source IDSourceSectorReference
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.Textiles, leather & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01151FruitsFood, food processing & cookwarePMC2877157 , PMC6230391
Pathways
1 pathwayPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Tyrosine-protein kinase CSK structureClick to view 3D structureTyrosine-protein kinase CSKP41240HumansKnownNot Available
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)
Prediction Confidence Score
0.726
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
54
E-value
0.155698
Bile acid receptor structureClick to view 3D structureBile acid receptorQ96RI1HumansPredicted (SEA)
Prediction Confidence Score
0.726
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
94
E-value
0.389246
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.702
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
197
E-value
0.700643
Transcription factor p65 structureClick to view 3D structureTranscription factor p65Q04206HumansPredicted (SEA)
Prediction Confidence Score
0.533
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
27
E-value
0.233548
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.497
Applicability Domain
1.0
Statistical Significance
2.50e-04
Supporting Reference Compounds
49
E-value
1.94623
DNA polymerase beta structureClick to view 3D structureDNA polymerase betaP06766Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.433
Applicability Domain
1.0
Statistical Significance
8.00e-05
Supporting Reference Compounds
6
E-value
0.622794
FUN14 domain-containing protein 1 structureClick to view 3D structureFUN14 domain-containing protein 1Q8IVP5HumansPredicted (SEA)
Prediction Confidence Score
0.42
Applicability Domain
0.42
Statistical Significance
3.10e-04
Supporting Reference Compounds
1
E-value
2.41333
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.387
Applicability Domain
0.695
Statistical Significance
0.0022
Supporting Reference Compounds
425
E-value
17.2825
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.377
Applicability Domain
1.0
Statistical Significance
0.0041
Supporting Reference Compounds
102
E-value
31.6068
Gag-Pol polyprotein structureClick to view 3D structureGag-Pol polyproteinP04585HIV-1Predicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.657
Statistical Significance
1.30e-04
Supporting Reference Compounds
13
E-value
1.01204
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.722
Statistical Significance
0.0011
Supporting Reference Compounds
55
E-value
8.71911
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
1.0
Statistical Significance
0.0089
Supporting Reference Compounds
215
E-value
69.208
Tyrosine-protein phosphatase non-receptor type 2 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 2P17706HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.429
Statistical Significance
9.40e-04
Supporting Reference Compounds
60
E-value
7.31783
Click to view 3D structureProteaseQ9YQ12Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.429
Statistical Significance
0.0034
Supporting Reference Compounds
31
E-value
26.858
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.429
Statistical Significance
0.0025
Supporting Reference Compounds
76
E-value
19.2288
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.69
Statistical Significance
0.0045
Supporting Reference Compounds
22
E-value
34.7208
Replicase polyprotein 1a structureClick to view 3D structureReplicase polyprotein 1aP0C6U8SARS-CoVPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
1.0
Statistical Significance
0.0041
Supporting Reference Compounds
27
E-value
31.6846
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.42
Statistical Significance
0.0051
Supporting Reference Compounds
29
E-value
39.8588
Human immunodeficiency virus type 1 Gag protein structureClick to view 3D structureHuman immunodeficiency virus type 1 Gag proteinQ77YG1Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.657
Statistical Significance
6.00e-05
Supporting Reference Compounds
4
E-value
0.467095
Pyruvate carboxylase, mitochondrial structureClick to view 3D structurePyruvate carboxylase, mitochondrialP11498HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.415
Statistical Significance
9.00e-05
Supporting Reference Compounds
2
E-value
0.700643
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.722
Statistical Significance
0.0015
Supporting Reference Compounds
40
E-value
11.6774
Click to view 3D structureS-adenosyl-L-methionine:delta24-sterol-C-methyltransferaseQ43445Glycine maxPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.267 Low confidence
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Click to view 3D structureNonstructural protein 5V5TFZ2Dengue virusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
1.0
Statistical Significance
0.0021
Supporting Reference Compounds
14
E-value
16.4262
Albumin structureClick to view 3D structureAlbuminP02768HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
1.0
Statistical Significance
0.0157
Supporting Reference Compounds
33
E-value
122.613
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.69
Statistical Significance
0.0663
Supporting Reference Compounds
206
E-value
516.53
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available