Mono-2-ethyl-5-hydroxyhexyl phthalate (CED0007980)

Record Information
Version1.0
Creation Date2026-04-05 16:38:58 UTC
Update Date2026-08-19 17:01:20 UTC
SynCED IDCED0007980
Secondary Accession Numbers
  • CHEM104614
Identification
Common NameMono-2-ethyl-5-hydroxyhexyl phthalate
ClassSmall Molecule
Description
Mono-2-ethyl-5-hydroxyhexyl phthalate (C16H22O5) is a chemical compound with an average molecular weight of 294.35 g/mol. Mono-2-ethyl-5-hydroxyhexyl phthalate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Biologically, this compound functions as a metabolite (PMC5820024 ), a biomarker (PMC5820024 ), and an endocrine disruptor (PMC11441913 ). Evidence supports inhalation as a route of exposure (PMC5334716 ). The compound is associated with several health effects. It is linked to an increase in obesity (PMC11578596 , PMC12696147 ) and a positive association with obesity (PMC13107740 ). Additionally, it is associated with asthma (PMC5334716 ), a positive association with ovarian cancer (PMC7559247 ), and thyroid cancer (PMC7998837 , PMC9119869 ). Levels of mono-2-ethyl-5-hydroxyhexyl phthalate are elevated in the urine of individuals with asthma (PMC5334716 ) and obesity (PMC13107740 ).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC16H22O5
Average Molecular Mass294.347 g/mol
Monoisotopic Mass294.147 g/mol
CAS Registry Number40321-99-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(O)=O
InChI IdentifierInChI=1/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)
InChI KeyRYPQSGURZSTFSX-UHFFFAOYSA-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 Spectrumsplash10-0002-6920000000-b1a95205611c04a73fc0Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00di-6693200000-1a67c1275d85c6a44762Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0290000000-24e09fb0b84bded51d93Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01dm-1890000000-1ac217e7244be02c57a4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0100-6900000000-c76fe25085b5d4b3ac8bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004j-0490000000-a9c9d893e8b8d475bcd8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06vj-2970000000-482264ca5d84a0703abbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bu1-7930000000-5fdcd01906d07b642b35Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-1940000000-d7eabd2ddaa7f3b9db62Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00b9-8910000000-95a9cd3c71e89eb5b230Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9420000000-5e455a2b7471e1e83117Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004j-0290000000-8412a5dc1367cb9edf72Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0950000000-d9fcf4ba5565be55732fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-2900000000-aaa86f10ae5ed769ad69Not AvailableView Spectrum
Toxicity Profile
Toxicity ValuesNot 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
cancerAssociated With?Not 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.PMC11044039 , PMC11044039
cancerElevated in Urine InNot 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.PMC11044039
cancerElevated in Urine InincreaseCancer 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.PMC11044039
breast cancerAssociated With?Not AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC11044039
type 2 diabetes mellitusAssociated With?Not AvailableNot AvailablePMC3687513
gestational diabetesAssociated With?inverseA disorder, occurring in pregnant women, characterized by hyperglycemia.PMC8821329
gestational diabetesAssociated With?Not AvailableA disorder, occurring in pregnant women, characterized by hyperglycemia.PMC8821329 , PMC8821329
asthmaAssociated With?Not AvailableA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC5334716 , PMC5334716
asthmaElevated in Urine InincreaseA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC5334716 , PMC9654528
asthmaAssociated With?increaseA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC5334716 , PMC9654528
asthmaAssociated With?positiveA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC9654528
diabetes mellitusElevated in Urine InincreaseA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC5240471 , PMC7533299
diabetes mellitusAssociated With?increaseA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC7533299
diabetes mellitusAssociated With?inverseA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC9248169
Prostate cancerAssociated With?Not AvailableA male reproductive organ cancer that is located in the prostate. (DO)PMC11044039
liver cancerAssociated With?Not AvailableLiver cancer, also known as hepatic cancer and primary hepatic cancer, is cancer that starts in the liver. Cancer which has spread from elsewhere to the liver, known as liver metastasis, is more common than that which starts in the liver. Symptoms of liver cancer may include a lump or pain in the right side below the rib cage, swelling of the abdomen, yellowish skin, easy bruising, weight loss and weakness.("Adult Primary Liver Cancer Treatment (PDQ®)–Patient Version". NCI. 6 July 2016. Archived from the original on 2 October 2016. Retrieved 29 September 2016) The leading cause of liver cancer is cirrhosis due to hepatitis B, hepatitis C or alcohol.(PMID: 25530442) The most common types of liver cancer are hepatocellular carcinoma (HCC), which makes up 80% of cases, and cholangiocarcinoma.(World Cancer Report 2014. World Health Organization. 2014. pp. Chapter 5.6. ISBN 978-9283204299) Globally, as of 2010, liver cancer resulted in 754,000 deaths, up from 460,000 in 1990, making it the third leading cause of cancer death after lung and stomach.(PMID: 23245604) In 2012, it represented 7% of cancer diagnoses in men, the 5th most diagnosed cancer that year.(World Cancer Report 2014. International Agency for Research on Cancer, World Health Organization. 2014. ISBN 978-92-832-0432-9)PMC4919054
obesityAssociated With?increaseA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC11578596 , PMC12696147
obesityAssociated With?positiveA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC13107740
obesityElevated in Urine InincreaseA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC13107740
obesityAssociated With?Not AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC13107740 , PMC13107740
thyroid cancerAssociated With?Not AvailableAn endocrine gland cancer located in the thryoid gland located in the neck below the thyroid cartilage. (DO)PMC7998837 , PMC9119869
thyroid cancerElevated in Urine InincreaseAn endocrine gland cancer located in the thryoid gland located in the neck below the thyroid cartilage. (DO)PMC11044039 , PMC11044039
ovarian cancerAssociated With?positiveA female reproductive organ cancer that is located in the ovary. (DO)PMC7559247
dermatitisAssociated With?Not AvailableNot AvailablePMC12250265
dermatitisAssociated With?positiveNot AvailablePMC6066334
miscarriageAssociated With?Not AvailableA natural death of an embryo or fetus before it is able to survive independently.PMC13120065 , PMC13120065
EndometriosisAssociated With?increaseEndometriosis is a condition that affects women in which cells similar to those in the endometrium, the layer of tissue that normally covers the inside of the uterus, grow outside the uterus (mainly in the ovaries and fallopian tubes). The main symptoms are pelvic pain and infertility, although 20-25% of women are asymptomatic. Pain during sexual intercourse is also common. Other symptoms include diarrhea or constipation, chronic fatigue, nausea and vomiting, headaches, low-grade fevers, heavy and/or irregular periods, and hypoglycemia. Endometriosis is a common condition. About 6–10% of women are affected. Endometriosis is most common in those in their thirties and forties; however, it can begin in girls as early as eight years old.PMC3700684 , PMC3700684
EndometriosisAssociated With?Not AvailableEndometriosis is a condition that affects women in which cells similar to those in the endometrium, the layer of tissue that normally covers the inside of the uterus, grow outside the uterus (mainly in the ovaries and fallopian tubes). The main symptoms are pelvic pain and infertility, although 20-25% of women are asymptomatic. Pain during sexual intercourse is also common. Other symptoms include diarrhea or constipation, chronic fatigue, nausea and vomiting, headaches, low-grade fevers, heavy and/or irregular periods, and hypoglycemia. Endometriosis is a common condition. About 6–10% of women are affected. Endometriosis is most common in those in their thirties and forties; however, it can begin in girls as early as eight years old.PMC3700684 , PMC8581146
EndometriosisElevated in Urine InincreaseEndometriosis is a condition that affects women in which cells similar to those in the endometrium, the layer of tissue that normally covers the inside of the uterus, grow outside the uterus (mainly in the ovaries and fallopian tubes). The main symptoms are pelvic pain and infertility, although 20-25% of women are asymptomatic. Pain during sexual intercourse is also common. Other symptoms include diarrhea or constipation, chronic fatigue, nausea and vomiting, headaches, low-grade fevers, heavy and/or irregular periods, and hypoglycemia. Endometriosis is a common condition. About 6–10% of women are affected. Endometriosis is most common in those in their thirties and forties; however, it can begin in girls as early as eight years old.PMC8581146
periodontitisAssociated With?increaseNot AvailablePMC11080183 , PMC11080183
periodontitisAssociated With?Not AvailableNot AvailablePMC11080183
pre-eclampsiaAssociated With?Not AvailableNot AvailablePMC8821329
hepatic fibrosisAssociated With?Not AvailableNot AvailablePMC13180816
leiomyomaAssociated With?decreaseNot AvailablePMC11773746
leiomyomaAssociated With?increaseNot AvailablePMC7801152
Abdominal obesityAssociated With?increaseNot AvailablePMC11173790 , PMC7353272
Abdominal obesityAssociated With?Not AvailableNot AvailablePMC3687513 , PMC1892109
WheezingAssociated With?increaseNot AvailablePMC12250265
Waist CircumferenceAssociated With?increaseNot AvailablePMC2713042 , PMC5240471
Waist CircumferenceAssociated With?inverseNot AvailablePMC5482500
Premature birthAssociated With?positiveNot AvailablePMC8488320
Premature birthAssociated With?Not AvailableNot AvailablePMC8488320 , PMC8488320
Problem BehaviorAssociated With?increaseNot AvailablePMC7493743
Cell SurvivalHas Therapeutic Effect OnNot AvailableNot AvailablePMC9704719
Cell SurvivalAssociated With?decreaseNot AvailablePMC9704719
Cell SurvivalAssociated With?increaseNot AvailablePMC11773746
Hot flashesAssociated With?Not AvailableNot AvailablePMC4867120 , PMC4867120
Hot flashesAssociated With?increaseNot AvailablePMC8187273 , PMC8187273
metabolic dysfunction-associated steatotic liver diseaseAssociated With?increaseNot AvailablePMC13391004
metabolic dysfunction-associated steatotic liver diseaseAssociated With?Not AvailableNot AvailablePMC13180816
fetal growth restrictionAssociated With?Not AvailableNot AvailablePMC7073082
Sperm MotilityAssociated With?decreaseNot AvailablePMC5056466
Embryo LossElevated in Urine InincreaseNot AvailablePMC13120065
MenopauseAssociated With?decreaseNot AvailablePMC5824533
uterine fibroidElevated in Urine InincreaseNot AvailablePMC5201388
Hand StrengthAssociated With?decreaseNot AvailablePMC12162582 , PMC12162582
Hand StrengthAssociated With?Not AvailableNot AvailablePMC12162582
endometrial polypAssociated With?increaseNot AvailablePMC7801152
Exposure Sources
Source IDSourceSectorReference
CEDs01143DietFood, food processing & cookwarePMC6311426
CEDs01148MilkFood, food processing & cookwarePMC7534576
CEDs01153Breast MilkFood, food processing & cookwarePMC8122652
CEDs01826Glass BottlesPackagingPMC8096563
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC9678903
CEDs02848LotionPersonal care & cosmeticsPMC11303244
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC11700037
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansKnownNot Available
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.326
Statistical Significance
0.0011
Supporting Reference Compounds
12
E-value
8.71911
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.316
Statistical Significance
0.0661
Supporting Reference Compounds
385
E-value
514.35
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.316
Statistical Significance
0.0497
Supporting Reference Compounds
310
E-value
387.222
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.316
Statistical Significance
0.0495
Supporting Reference Compounds
297
E-value
385.509
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.364
Statistical Significance
0.0611
Supporting Reference Compounds
425
E-value
475.814
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.31
Statistical Significance
0.0702
Supporting Reference Compounds
332
E-value
546.657
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0045
Supporting Reference Compounds
48
E-value
35.2657
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.31
Statistical Significance
0.1044
Supporting Reference Compounds
472
E-value
812.824
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0196
Supporting Reference Compounds
57
E-value
152.273
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0043
Supporting Reference Compounds
37
E-value
33.3195
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.316
Statistical Significance
0.2991
Supporting Reference Compounds
1130
E-value
2328.47
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.326
Statistical Significance
0.0496
Supporting Reference Compounds
201
E-value
385.976
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0085
Supporting Reference Compounds
1
E-value
66.0161
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.263 Low confidence
Statistical Significance
0.0066
Supporting Reference Compounds
1
E-value
51.5362
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.31
Statistical Significance
0.0978
Supporting Reference Compounds
407
E-value
761.288
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.316
Statistical Significance
0.0907
Supporting Reference Compounds
373
E-value
706.482
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0187
Supporting Reference Compounds
40
E-value
145.812
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.316
Statistical Significance
0.1527
Supporting Reference Compounds
562
E-value
1188.6
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.326
Statistical Significance
0.0351
Supporting Reference Compounds
136
E-value
273.329
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.316
Statistical Significance
0.0702
Supporting Reference Compounds
266
E-value
546.813
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.277 Low confidence
Statistical Significance
0.1067
Supporting Reference Compounds
372
E-value
830.729
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.281 Low confidence
Statistical Significance
0.4743
Supporting Reference Compounds
1498
E-value
3692.7
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0475
Supporting Reference Compounds
180
E-value
369.472
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.281 Low confidence
Statistical Significance
0.1598
Supporting Reference Compounds
541
E-value
1244.19
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.2344
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available