Classification Term: 3515

Phenylpropanes (ontology term: CHEMONTID:0002811)

Organic compounds containing a phenylpropane moiety." []

found 131 associated metabolites at sub_class metabolite taxonomy ontology rank level.

Ancestor: Benzene and substituted derivatives

Child Taxonomies: There is no child term of current ontology term.

Mitragynine

(.ALPHA.E,2S,3S,12.BETA.S)-3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID METHYL ESTER

C23H30N2O4 (398.220546)


Mitragynine itself acts primarily via -opioid receptors, although its oxidation product mitragynine-pseudoindoxyl, which is likely to be a major component of kratom that has been aged or stored for extended periods, acts as a fairly selective -opioid agonist with little affinity for receptors. Another alkaloid with a major contribution to the opioid activity of the kratom plant is the related compound 7-hydroxymitragynine, which while present in the plant in much smaller quantities than mitragynine, is a much more potent opioid agonist. Mitragynine is a monoterpenoid indole alkaloid. Mitragynine is a natural product found in Mitragyna speciosa with data available.

   

Cyproconazole

2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

C15H18ClN3O (291.1138328)


CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2100 CONFIDENCE standard compound; INTERNAL_ID 2568 D016573 - Agrochemicals D010575 - Pesticides

   

Fenpropimorph

(2R,6S)-4-[(2S)-3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

C20H33NO (303.25620080000004)


Fenpropimorph (CAS: 67564-91-4) belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Fenpropimorph is possibly neutral. Fenpropimorph is an agricultural fungicide used against powdery mildews on sugar beets, beans, and leek. Agricultural fungicide used against powdery mildews on sugar beet, beans and leeks CONFIDENCE standard compound; INTERNAL_ID 8406 CONFIDENCE standard compound; INTERNAL_ID 2573 D016573 - Agrochemicals D010575 - Pesticides

   

Ephedrine

(1R,2S)-1-Phenyl-1-hydroxy-2-methylaminopropane

C10H15NO (165.115358)


Ephedrine is only found in individuals who have consumed this drug. Ephedrine is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used in the treatment of several disorders including asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists. [PubChem] Ephedrine is similar in molecular structure to the well-known drugs phenylpropanolamine and methamphetamine, as well as to the important neurotransmitter epinephrine (adrenalin). Chemically, it is an alkaloid with a phenethylamine skeleton found in various plants in the genus Ephedra (family Ephedraceae). It works mainly by increasing the activity of norepinephrine (noradrenalin) on adrenergic receptors. It is most usually marketed as the hydrochloride or sulfate salt. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AB - Sympathomimetics, combinations excl. corticosteroids R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CA - Alpha- and beta-adrenoreceptor agonists R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FB - Sympathomimetics excl. antiglaucoma preparations D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2758

   

4-tert-Butylphenol

2-(4-Hydroxyphenyl)-2-methylpropane

C10H14O (150.1044594)


4-tert-Butylphenol, also known as butylphen or PTBP, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. 4-tert-Butylphenol is a leather and oakmoss tasting compound. 4-tert-Butylphenol has been detected, but not quantified, in herbs and spices. 4-Tert-butylphenol is structurally similar to the melanin precursor tyrosine, and acts as a substrate for tyrosinase. 4-tert-Butylphenol is a potentially toxic compound. Tyrosinase oxidizes 4-tert-butylphenol to a quinone (4-tert-butylcyclohexa-3,5-diene-1,2-dione) which in turn rapidly reacts with glutathione (GSH). A depletion of the GSH defence system may allow the quinone to generate reactive oxygen species that damage melanocytes and induce apoptosis, leading to leukoderma/vitiligo.

   

Voriconazole

(AlphaR,betas)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

C16H14F3N5O (349.115039)


Voriconazole (Vfend, Pfizer) is a triazole antifungal medication used to treat serious fungal infections. It is used to treat invasive fungal infections that are generally seen in patients who are immunocompromised. These include invasive candidiasis, invasive aspergillosis, and emerging fungal infections. J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Phenylpropanolamine

(1S,2R)-2-amino-1-phenylpropan-1-ol

C9H13NO (151.0997088)


Phenylpropanolamine is a sympathomimetic that acts mainly by causing release of norepinephrine but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant. -- Pubchem [HMDB] Phenylpropanolamine is a sympathomimetic that acts mainly by causing release of norepinephrine but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant. -- Pubchem. R - Respiratory system > R01 - Nasal preparations > R01B - Nasal decongestants for systemic use > R01BA - Sympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants CONFIDENCE standard compound; INTERNAL_ID 1547

   

Methylephedrine

N,N-Dimethylnorephedrine2-dimethylamino-1-phenylpropanol

C11H17NO (179.1310072)


Methylephedrine belongs to the family of Amphetamines and Derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.

   

Pyridaben

4-Chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone

C19H25ClN2OS (364.137603)


CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10598; ORIGINAL_PRECURSOR_SCAN_NO 10596 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10636; ORIGINAL_PRECURSOR_SCAN_NO 10634 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10546; ORIGINAL_PRECURSOR_SCAN_NO 10544 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10660; ORIGINAL_PRECURSOR_SCAN_NO 10659 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10708; ORIGINAL_PRECURSOR_SCAN_NO 10707 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10670; ORIGINAL_PRECURSOR_SCAN_NO 10667 CONFIDENCE standard compound; INTERNAL_ID 2632

   

Fenpropidin

1-(2-Methyl-3-(4-(2-methyl-2-propanyl)phenyl)propyl)piperidine

C19H31N (273.2456366)


CONFIDENCE standard compound; INTERNAL_ID 8461 CONFIDENCE standard compound; INTERNAL_ID 2589 D016573 - Agrochemicals D010575 - Pesticides

   

4-Tert-Amylphenol

P-Tert-amylphenol, monopotassium salt

C11H16O (164.12010859999998)


   

Etoxazole

2-(2,6-Difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole

C21H23F2NO2 (359.16967619999997)


CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10356; ORIGINAL_PRECURSOR_SCAN_NO 10354 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10360; ORIGINAL_PRECURSOR_SCAN_NO 10358 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10425; ORIGINAL_PRECURSOR_SCAN_NO 10424 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10345; ORIGINAL_PRECURSOR_SCAN_NO 10344 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10415; ORIGINAL_PRECURSOR_SCAN_NO 10413 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10391; ORIGINAL_PRECURSOR_SCAN_NO 10390 D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals

   

Xylometazoline

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

C16H24N2 (244.19393839999998)


A nasal vasoconstricting decongestant drug which acts by binding to the same receptors as adrenaline. It is applied as a spray or as drops into the nose to ease inflammation and congestion of the nasal passageways. It binds alpha-adrenergic receptors to activate the adrenal system which causes systemic vasoconstriction, thereby easing nasal congestion. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AB - Sympathomimetics, combinations excl. corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3031

   

2-Sec-Butylphenol

2-(1-Methylpropyl)phenol

C10H14O (150.1044594)


   

4-(1,1,3,3-Tetramethylbutyl)-phenol

alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene)

C14H22O (206.1670562)


4-(1,1,3,3-Tetramethylbutyl)-phenol is manufactured via a catalytic reaction of phenol with diisobutylene. It is a member of the class of compounds known as phenylpropanes. Phenylpropanes are organic compounds that contain a phenylpropane moiety. 4-(1,1,3,3-Tetramethylbutyl)-phenol can be found primarily in feces and urine. Within the cell, 4-(1,1,3,3-Tetramethylbutyl)-phenol is primarily located in the membrane (predicted from logP). It is a non-carcinogenic (not listed by IARC) potentially toxic compound. 4-(1,1,3,3-Tetramethylbutyl)-phenol is biodegradable, and in the surface layer of natural waters, 30\\\% of OP can be degraded within one day. 4-(1,1,3,3-Tetramethylbutyl)-phenol is acutely very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. It is not acutely toxic to human health, but it is slightly irritating to the skin and highly irritating to the eyes. It is not genotoxic, but it may cause depigmentation of the skin. 4-(1,1,3,3-Tetramethylbutyl)-phenol is used as a food additive (EAFUS: Everything Added to Food in the United States). CONFIDENCE standard compound; INTERNAL_ID 939; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5475; ORIGINAL_PRECURSOR_SCAN_NO 5474 CONFIDENCE standard compound; INTERNAL_ID 939; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5507; ORIGINAL_PRECURSOR_SCAN_NO 5506 CONFIDENCE standard compound; INTERNAL_ID 939; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5472; ORIGINAL_PRECURSOR_SCAN_NO 5470 CONFIDENCE standard compound; INTERNAL_ID 939; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5015; ORIGINAL_PRECURSOR_SCAN_NO 5012 CONFIDENCE standard compound; INTERNAL_ID 939; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5452; ORIGINAL_PRECURSOR_SCAN_NO 5448 CONFIDENCE standard compound; INTERNAL_ID 939; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5519; ORIGINAL_PRECURSOR_SCAN_NO 5518 D013501 - Surface-Active Agents It is used as a food additive . 4-tert-Octylphenol, a endocrine-disrupting chemical, is an estrogenic agent. 4-tert-Octylphenol induces apoptosis in neuronal progenitor cells in offspring mouse brain. 4-tert-Octylphenol reduces bromodeoxyuridine (BrdU), mitotic marker Ki67, and phospho-histone H3 (p-Histone-H3), resulting in a reduction of neuronal progenitor proliferation. 4-tert-Octylphenol disrupts brain development and behavior in mice[1].

   

Metaraminol

Merck sharp and dohme brand OF metaraminol bitartrate

C9H13NO2 (167.09462380000002)


Metaraminol is only found in individuals that have used or taken this drug. It is an adrenergic agonist that acts predominantly at alpha adrenergic receptors and also stimulates the release of norepinephrine. It has been used primarily as a vasoconstrictor in the treatment of hypotension. [PubChem]Metaraminol acts through peripheral vasoconstriction by acting as a pure alpha-1 adrenergic receptor agonist, consequently increasing systemic blood pressure (both systolic & diastolic). Its effect is thought to be associated with the inhibition of adenyl cyclase which leads to an inhibition of the production of cAMP. Another effect of Metaraminol is that it releases norepinephrine from its storage sites indirectly. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents

   

Anastrozole

alpha,alpha,Alpha,alpha-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile

C17H19N5 (293.1640374)


Anastrozole is a drug indicated in the treatment of breast cancer in post-menopausal women. It is used both in adjuvant therapy (i.e. following surgery) and in metastatic breast cancer. It decreases the amount of estrogens that the body makes. Anastrozole belongs in the class of drugs known as aromatase inhibitors. It inhibits the enzyme aromatase, which is responsible for converting androgens (produced by women in the adrenal glands) to estrogens. CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7616; ORIGINAL_PRECURSOR_SCAN_NO 7613 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7651; ORIGINAL_PRECURSOR_SCAN_NO 7649 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7606; ORIGINAL_PRECURSOR_SCAN_NO 7604 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7609; ORIGINAL_PRECURSOR_SCAN_NO 7607 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7592; ORIGINAL_PRECURSOR_SCAN_NO 7590 CONFIDENCE standard compound; INTERNAL_ID 166; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7638; ORIGINAL_PRECURSOR_SCAN_NO 7636 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist CONFIDENCE standard compound; INTERNAL_ID 2750 CONFIDENCE standard compound; INTERNAL_ID 8532 D000970 - Antineoplastic Agents

   

2,6-Di-tert-butyl-4-methylphenol

2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9ci

C15H24O (220.18270539999997)


2,6-Di-tert-butyl-4-methylphenol, also known as butylated hydroxytoluene or BHT, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. BHT is a mild, camphor, and musty tasting compound. It has been detected, but not quantified, in soft-necked garlic. This could make BHT a potential biomarker for the consumption of this food. BHT is a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHT was detected in human urine (PMID:31265952). Antioxidant, used in cosmetics, foods and pharmaceuticals D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Same as: D02413 Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].

   

1-Phenyl-1,2-propanedione

3-Phenyl-2,3-propanedione

C9H8O2 (148.0524268)


1-Phenyl-1,2-propanedione is found in coffee and coffee products. 1-Phenyl-1,2-propanedione is present in coffee aroma. 1-Phenyl-1,2-propanedione is a flavouring ingredient. Present in coffee aroma. Flavouring ingredient. 1-Phenyl-1,2-propanedione is found in coffee and coffee products. 1-Phenylpropane-1,2-dione, isolated from young Ephedra sinica Stapf (Ephedraceae), is biosynthetic precursors of the ephedrine alkaloids[1][2]. 1-Phenylpropane-1,2-dione, isolated from young Ephedra sinica Stapf (Ephedraceae), is biosynthetic precursors of the ephedrine alkaloids[1][2].

   

Probucol

2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol

C31H48O2S2 (516.3095548)


Probucol is only found in individuals that have used or taken this drug. It is a drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).Probucol lowers serum cholesterol by increasing the fractional rate of low-density lipoprotein (LDL) catabolism in the final metabolic pathway for cholesterol elimination from the body. Additionally, probucol may inhibit early stages of cholesterol biosynthesis and slightly inhibit dietary cholesterol absorption. Recent information suggests that probucol may inhibit the oxidation and tissue deposition of LDL cholesterol, thereby inhibiting atherogenesis. It appears to inhibits ABCA1-mediated cellular lipid efflux. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites

   

Tebufenpyrad

1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-

C18H24ClN3O (333.1607804)


CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10180 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10178 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10204; ORIGINAL_PRECURSOR_SCAN_NO 10202 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10140; ORIGINAL_PRECURSOR_SCAN_NO 10138

   

Levonordefrin

4-(2-amino-1-Hydroxypropyl)-1,2-benzenediol hydrochloride, (r*,r*)-(+,-)-isomer

C9H13NO3 (183.0895388)


Levonordefrin is only found in individuals that have used or taken this drug. It acts as a topical nasal decongestant and vasoconstrictor, most often used in dentistry.It is designed to mimic the molecular shape of adrenaline. It binds to alpha-adrenergic receptors in the nasal mucosa. Here it can, therefore, cause vasoconstriction C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Same as: D02388 Levonordefrin, a common alternative to levoepinephrine as a vasoconstrictor in dental local anesthetic preparations, is usually used in fivefold higher concentrations. Levonordefrin is generally considered equivalent to epinephrine[1].

   

Pheneturide

1-[(C-hydroxycarbonimidoyl)imino]-2-phenylbutan-1-ol

C11H14N2O2 (206.1055224)


C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Same as: D01190

   

Tannic acid

2,3-dihydroxy-5-[({3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl}methoxy)carbonyl]phenyl 3,4,5-trihydroxybenzoate

C76H52O46 (1700.1729692000001)


Clarifying agent for beer and wine; flavour enhancer, colour modifier, pH control agent. Permitted boiler water additive in generation of steam for use in food contact processes Same as: D01959 Tannic acid is a novel hERG channel blocker with IC50 of 3.4 μM. Tannic acid is a novel hERG channel blocker with IC50 of 3.4 μM.

   

4-Propylphenol

1-Hydroxy-4-N-propylbenzene

C9H12O (136.08881019999998)


4-Propylphenol is a flavouring ingredien Flavouring ingredient

   

Hexakis(2-methyl-2-phenylpropyl)distannoxane

tris(2-methyl-2-phenylpropyl)({[tris(2-methyl-2-phenylpropyl)stannyl]oxy})stannane

C60H78OSn2 (1054.4096318)


Miticide for use on fruit and vegetable crop

   

Propargite

2-(4-(tert-Butyl)phenoxy)cyclohexyl prop-2-yn-1-yl sulfite

C19H26O4S (350.1551716)


   

Methyldymron

N-methyl-N-phenyl-N-(2-phenylpropan-2-yl)carbamimidic acid

C17H20N2O (268.157555)


   

Malonoben

[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile, 9ci

C18H22N2O (282.1732042)


D000970 - Antineoplastic Agents > D020032 - Tyrphostins Malonoben is an Agricultural acaricide, now supersede Agricultural acaricide, now superseded

   

Pseudoephedrine

(+) Threo-2-(methylamino)-1-phenyl-1-propanol

C10H15NO (165.115358)


Pseudoephedrine (commonly abbreviated as PSE) is a sympathomimetic amine commonly used as a decongestant. The salts pseudoephedrine hydrochloride and pseudoephedrine sulfate are found in many over-the-counter preparations either as single ingredient preparations, or more commonly in combination with antihistamines, paracetamol and/or ibuprofen. Consumers often refer to it by a product which contains pseudoephedrine, such as Sudafed, the trademark for a common brand of pseudoephedrine hydrochloride in North America; Pseudoephedrine is a phenethylamine, and an isomer of ephedrine. Pseudoephedrine is the International Nonproprietary Name (INN) of the (1S,2S)- diastereomer of ephedrine (which has 1R,2S- configuration). Other names are (+)-pseudoephedrine and D-pseudoephedrine. (Reynolds, 1989) (-)-(1R,2R)-Pseudoephedrine is not used clinically, since it is associated with greater central nervous system (CNS) stimulatory effects. (+)-(1S,2S)-Pseudoephedrine is a less-potent CNS stimulant, yet it retains its efficacy as a decongestant. -- Wikipedia; Pseudoephedrine is a sympathomimetic amine - that is, its principal mechanism of action relies on its indirect action on the adrenergic receptor system. While it may have weak agonist activity at adrenergic receptors, the principal mechanism is to displace noradrenaline from storage vesicles in presynaptic neurons. The displaced noradrenaline is released into the neuronal synapse where it is free to activate the aforementioned postsynaptic adrenergic receptors. -- Wikipedia; Pseudoephedrine is a phenethylamine, and an isomer of ephedrine. Pseudoephedrine is the International Nonproprietary Name (INN) of the (1S,2S)- diastereomer of ephedrine (which has 1R,2S- configuration). Other names are (+)-pseudoephedrine and D-pseudoephedrine (Reynolds, 1989). The enantiomer (-)-(1R,2R)-Pseudoephedrine has fewer side-effects, fewer central nervous system (CNS) stimulatory effects, does not reduce to d-methamphetamine, yet retains its efficacy as a decongestant.[citation needed] However, the patent holder for (-)-Pseudoephedrine (Pfizer/Warner-Lambert) has not yet sought or received government approval for its sale to the public.(US Patent 6,495,529); Treatment for urinary incontinence is an unlabeled use for these medications. Unlabeled use means doctors can use the medication to treat a condition other than that for which it was first approved by the U.S. Food and Drug Administration (FDA). These medications are approved by the FDA for the treatment of nasal congestion caused by colds or allergies. However it has also been succesful in treating stress incontinence by increasing the pressure (tension) exerted by the muscles of the bladder neck and the urethra, which helps retain the urine within the bladder; An alpha and beta adrenergic agonist that may also enhance release of norepinephrine. It has been used in the treatment of several disorders including asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists; Pseudoephedrine is a sympathomimetic amine commonly used as a decongestant. The salts pseudoephedrine hydrochloride and pseudoephedrine sulfate are found in many over-the-counter preparations either as single-ingredient preparations, or more commonly in combination with antihistamines, paracetamol and/or ibuprofen. It is often referred to by consumers as Sudafed, which is the trademark for a common brand of pseudoephedrine hydrochloride. -- Wikipedia; Pseudoephedrine is a sympathomimetic amine - that is, its principal mechanism of action relies on its indirect action on the adrenergic receptor system. While it may have weak agonist activity at alpha and beta adrenergic receptors, the principal mechanism is to displace noradrenaline from storage vesicles in presynaptic neurons. The displaced noradrenaline is re... Pseudoephedrine is a member of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. It has a role as a sympathomimetic agent, an anti-asthmatic drug, a bronchodilator agent, a vasoconstrictor agent, a central nervous system drug, a nasal decongestant, a xenobiotic and a plant metabolite. It is a secondary alcohol, a secondary amino compound and a member of phenylethanolamines. It is a conjugate base of a pseudoephedrine(1+). Pseudoephedrine is a sympathomimetic drug of the phenethylamine and amphetamine chemical classes. It may be used as a nasal/sinus decongestant, as a stimulant, or as a wakefulness-promoting agent in higher doses. It was first characterized in 1889, by the German chemists Ladenburg and Oelschlägel, who used a sample that had been isolated from Ephedra vulgaris by the Merck pharmaceutical corporation of Darmstadt, Germany. The salts pseudoephedrine hydrochloride and pseudoephedrine sulfate are found in many over-the-counter preparations, either as a single ingredient or (more commonly) in a fixed-dose combination with one or more additional active ingredients such as antihistamines, guaifenesin, dextromethorphan, paracetamol (acetaminophen) or an NSAID (such as aspirin or ibuprofen). At first, pseudoephedrine was known as a natural substance that occurs in shrubs of the Ephedra genus, which grow worldwide. Almost all commercial pseudoephedrine, however, is produced by fermenting dextrose in the presence of benzaldehyde. The primary product, (R)-phenylacetylcarbinol, is aminated to make pseudoephedrine. Pseudoephedrine acts on α- and β2-adrenergic receptors, to cause vasoconstriction and relaxation of smooth muscle in the bronchi, respectively. α-Adrenergic receptors are located on the muscles lining the walls of blood vessels. When these receptors are activated, the muscles contract, causing the blood vessels to constrict (vasoconstriction). The constricted blood vessels now allow less fluid to leave the blood vessels and enter the nose, throat and sinus linings, which results in decreased inflammation of nasal membranes, as well as decreased mucus production. Thus, by constriction of blood vessels, mainly those located in the nasal passages, pseudoephedrine causes a decrease in the symptoms of nasal congestion. Activation of β2-adrenergic receptors produces relaxation of smooth muscle of the bronchi, causing bronchial dilation and in turn decreasing congestion (although not fluid) and difficulty breathing. Pseudoephedrine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=90-82-4 (retrieved 2024-06-28) (CAS RN: 90-82-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Methylnoradrenaline

4-(2-amino-1-Hydroxypropyl)-1,2-benzenediol hydrochloride, (r*,r*)-(+,-)-isomer

C9H13NO3 (183.0895388)


Methylnoradrenaline is a norepinephrine derivative used as a vasoconstrictor agent. -- Pubchem. A norepinephrine derivative used as a vasoconstrictor agent. -- Pubchem [HMDB] D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents

   

2,6-Di-tert-butyl-4-hydroxymethylphenol

3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol, 9ci

C15H24O2 (236.1776204)


2,6-Di-tert-butyl-4-hydroxymethylphenol, also known as BHT-OH, 3,5-di-tert-butyl-4-hydroxy-benzyl alcohol, or 4-hydroxymethyl-2,6-di-tert-butylphenol, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. BHT-OH is an extremely weak basic (essentially neutral) compound (based on its pKa). BHT-OH is a metabolite of 2,6-di-tert-butyl-4-methylphenol (BHA), a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHT-OH was detected in human urine (PMID: 31265952). Antioxidant used in foods.

   

3,4-Dihydroxyphenylacetone

1-(3,4-dihydroxyphenyl)propan-2-one

C9H10O3 (166.062991)


3,4-Dihydroxyphenylacetone is found in animal foods. 3,4-Dihydroxyphenylacetone is a component of wood smokes, present in smoked meats. Metabolite of 2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid BDS26-B and N,a-Dimethyl-3,4-(methylenedioxy)phenethylamine NCZ31-DBDS26-B and N,a-Dimethyl-3,4-(methylenedioxy)phenethylamine NCZ31-D. 3,4-Dihydroxyphenylacetone is found in animal foods.

   

(±)-threo-Anethole glycol

(1S,2S)-1-(4-methoxyphenyl)propane-1,2-diol

C10H14O3 (182.0942894)


(±)-threo-Anethole glycol is found in fruits. (±)-threo-Anethole glycol is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). (±)-threo-Anethole glycol is found in fruits.

   

Artobiloxanthone

11,18,19,21-tetrahydroxy-7,7-dimethyl-16-(prop-1-en-2-yl)-2,8-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one

C25H22O7 (434.1365462)


Artobiloxanthone is found in breadfruit. Artobiloxanthone is a constituent of Artocarpus communis (breadfruit).

   

1-(4-Methoxyphenyl)-2-propanone

1-(4-Methoxyphenyl)-2-propanone

C10H12O2 (164.0837252)


1-(4-Methoxyphenyl)-2-propanone is found in anise. 1-(4-Methoxyphenyl)-2-propanone is isolated from anise oil, fennel oil and oil of star anise fruit (Illicium verum). Isolated from anise oil, fennel oil and oil of star anise fruit (Illicium verum). 1-(4-Methoxyphenyl)-2-propanone is found in fennel, herbs and spices, and anise.

   

1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol

1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol

C13H20O5 (256.13106700000003)


1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol is found in herbs and spices. 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol is a constituent of Acorus calamus (sweet flag)

   

1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione

1-(2,4,5-trimethoxyphenyl)-1,2-propanedione

C12H14O5 (238.08411940000002)


1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is found in herbs and spices. 1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is a constituent of Acorus calamus (sweet flag)

   

m-Propyltoluene

1-METHYL-3-PROPYLBENZENE

C10H14 (134.1095444)


m-Propyltoluene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

   

1-(1-Methoxy-1-methylethyl)-4-methylbenzene

1-(1-Methoxy-1-methylethyl)-4-methylbenzene

C11H16O (164.12010859999998)


1-(1-Methoxy-1-methylethyl)-4-methylbenzene is found in citrus. 1-(1-Methoxy-1-methylethyl)-4-methylbenzene is isolated from lime (Citrus aurantifolia) oi Isolated from lime (Citrus aurantifolia) oil. 1-(1-Methoxy-1-methylethyl)-4-methylbenzene is found in citrus and pepper (spice).

   

Propylbenzene

N-Propylbenzene ion (1+)

C9H12 (120.09389519999999)


Propylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

   

1-Methyl-2-propylbenzene

1-Methyl-2-N-propylbenzene

C10H14 (134.1095444)


1-Methyl-2-propylbenzene is found in fats and oils. 1-Methyl-2-propylbenzene is found in cotton plant volatile Found in cotton plant volatiles

   

2,6-Di-tert-butyl-4-ethylphenol

2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 9ci

C16H26O (234.1983546)


2,6-Di-tert-butyl-4-ethylphenol, also known as nocrac m 17 or 4-ethyl-2,6-di-tert-butylphenol, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. 2,6-Di-tert-butyl-4-ethylphenol has been detected, but not quantified, in fruits and tea. This could make 2,6-di-tert-butyl-4-ethylphenol a potential biomarker for the consumption of these foods. 2,6-Di-tert-butyl-4-ethylphenol is a potentially toxic compound. Reported as a constituent of mango and green tea leaves. 2,6-Di-tert-butyl-4-ethylphenol is found in tea and fruits.

   

1,3-Di-tert-butylbenzene

Benzene,1,3-bis(1,1-dimethylethyl)-

C14H22 (190.1721412)


1,3-Di-tert-butylbenzene belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.

   

Neoacrimarine G

1-hydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3-methoxy-10-methyl-9,10-dihydroacridin-9-one

C29H25NO8 (515.158009)


Neoacrimarine G is found in citrus. Neoacrimarine G is an alkaloid from the roots of Citrus paradisi (grapefruit

   

Verimol G

2-[2-hydroxy-1-(4-methoxyphenyl)propoxy]-1-(4-methoxyphenyl)propan-1-ol

C20H26O5 (346.17801460000004)


Verimol G is found in fruits. Verimol G is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol G is found in fruits.

   

Acoramone

1-(2,4,5-Trimethoxyphenyl)-2-propanone, 9ci

C12H16O4 (224.10485359999998)


Acoramone is found in herbs and spices. Acoramone is a constituent of the oil of Acorus calamus (sweet flag)

   

2-(4-Methylphenyl)-2-propanol

1-Methyl-4-(1-hydroxy-1-methylethyl)benzene

C10H14O (150.1044594)


2-(4-Methylphenyl)-2-propanol is found in allspice. 2-(4-Methylphenyl)-2-propanol occurs in essential oils, e.g. Citrus reticulata and various fresh fruits. 2-(4-Methylphenyl)-2-propanol is a flavouring ingredien Occurs in essential oils, e.g. Citrus reticulata and various fresh fruits. Flavouring ingredient. 2-(4-Methylphenyl)-2-propanol is found in many foods, some of which are nutmeg, dill, fruits, and sweet marjoram.

   

2-tert-Butyl-1,4-benzenediol

2-(1,1-Dimethylethyl)-1,4-benzenediol, 9ci

C10H14O2 (166.09937440000002)


2-tert-Butyl-1,4-benzenediol is found in fats and oils. 2-tert-Butyl-1,4-benzenediol is an antioxidant used in food, e.g. oils and fats. Polym. inhibito D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors TBHQ (tert-Butylhydroquinone) is a widely used Nrf2 activator, protects against Doxorubicin (DOX)-induced cardiotoxicity through activation of Nrf2[1]. TBHQ (tert-Butylhydroquinone) is also an ERK activator; rescues Dehydrocorydaline (DHC)-induced cell proliferation inhibitionin melanoma[2].

   

2,6-Di-tert-butyl-1,4-benzenediol

2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol, 9ci

C14H22O2 (222.1619712)


2,6-Di-tert-butyl-1,4-benzenediol is found in tea. 2,6-Di-tert-butyl-1,4-benzenediol is isolated from ginseng roots. Isolated from ginseng roots. 2,6-Di-tert-butyl-1,4-benzenediol is found in tea.

   

1-Phenyl-1-propanol

a-Ethylbenzenemethanol, 9ci

C9H12O (136.08881019999998)


(±)-1-Phenyl-1-propanol is a flavouring ingredien It is used as a food additive . 1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant agent Fluoxetine[1][2].

   

2-Phenylbutyric acid

alpha-Ethylbenzeneacetic acid

C10H12O2 (164.0837252)


2-Phenylbutyric acid, also known as alpha-phenylbutyrate or alpha-ethyl-alpha-toluate, belongs to the class of organic compounds known as phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. 2-Phenylbutyric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-Phenylbutyric acid can be biosynthesized from butyric acid. 2-Phenylbutyric acid is used as an anticholesteremic. C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent 2-Phenylbutyric acid is used as an anticholesteremic. [HMDB] 2-Phenylbutanoic acid is an endogenous metabolite.

   

Erythrohydrobupropion

2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

C13H20ClNO (241.123334)


Erythrohydrobupropion is the breakdown product of bupropion, a drug used as an anti-depressant. [HMDB] Erythrohydrobupropion is the breakdown product of bupropion, a drug used as an anti-depressant.

   

2,4-Di-tert-butylphenol

1-Hydroxy-2,4-di-tert-butylbenzene

C14H22O (206.1670562)


2,4-Di-tert-butylphenol, also known as 2,4-DTBP, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. 2,4-Di-tert-butylphenol is an extremely weak basic (essentially neutral) compound (based on its pKa). 2,4-Di-tert-butylphenol is a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. 2,4-Di-tert-butylphenol was detected at extremely high concentrations in human urine (PMID: 31265952). 2,4-Di-tert-butylphenol is an endogenous metabolite. 2,4-Di-tert-butylphenol is an endogenous metabolite.

   

2-Methyl-2-phenyl-undecane

(2,4,4-trimethylpentan-2-yl)benzene

C14H22 (190.1721412)


2-Methyl-2-phenyl-undecane has been used as an in vivo anti-cancer screen. Data for tumor model L1210 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice.

   

Degarelix

(2S)-2-{[(2R)-2-{[(2S)-2-{[(2S)-2-{[(2R)-2-{[(2R)-3-(4-chlorophenyl)-1-hydroxy-2-{[(2R)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(naphthalen-2-yl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(pyridin-3-yl)propylidene]amino}-1,3-dihydroxypropylidene]amino}-3-{4-[(4R)-2,6-dihydroxy-4,5-dihydropyrimidine-4-amido]phenyl}-1-hydroxypropylidene]amino}-1-hydroxy-3-{4-[(C-hydroxycarbonimidoyl)amino]phenyl}propylidene]amino}-N-[(2S)-1-(2-{[(1R)-1-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanimidate

C82H103ClN18O16 (1630.7487588000001)


Degarelix is used for the treatment of advanced prostate cancer. Degarelix is a synthetic peptide derivative drug which binds to gonadotropin-releasing hormone(GnRH) receptors in the pituitary gland and blocks their interaction with GnRH. This antagonism reduces luteinising hormone (LH), follicle-stimulating hormone (FSH) and in turn, testosterone suppression. Reduction in testosterone is important in treating men with advanced prostate cancer. Degarelix is a competitive and reversible gonadotropin-releasing hormone receptor (GnRHR/LHRHR) antagonist. Degarelix can be used for prostate cancer research[1].

   

2-Methyl-1-phenyl-2-propanol

alpha,alpha-Dimethyl-beta-phenylethyl alcohol

C10H14O (150.1044594)


2-Methyl-1-phenyl-2-propanol is found in cocoa and cocoa products. 2-Methyl-1-phenyl-2-propanol is a flavouring ingredient. 2-Methyl-1-phenyl-2-propanol is present in coco 2-Methyl-1-phenyl-2-propanol is a flavouring ingredient. It is found in cocoa and cocoa products.

   

2-Methyl-1-phenyl-2-propanyl acetate

Phenethyl alcohol, alpha,alpha-dimethyl-, acetate

C12H16O2 (192.1150236)


2-Methyl-1-phenyl-2-propanyl acetate is a flavouring agent Flavouring agent

   

(±)-2-Methyl-3-(4-methylphenyl)propanal

(±)-2-Methyl-3-(4-methylphenyl)propanal

C11H14O (162.1044594)


(±)-2-Methyl-3-(4-methylphenyl)propanal is a flavouring ingredient; commercial material FEMA 2748. Contains some ortho- and a trace of meta-isomer Flavouring ingredient; coml. material FEMA 2748contains some ortho- and a trace of meta-isomer

   

Dimethylbenzyl carbinyl crotonate

2-Methyl-1-phenylpropan-2-yl (2E)-but-2-enoic acid

C14H18O2 (218.1306728)


Dimethylbenzyl carbinyl crotonate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Dimethylbenzyl carbinyl hexanoate

Hexanoic acid, 1,1-dimethyl-2-phenylethyl ester

C16H24O2 (248.1776204)


Dimethylbenzyl carbinyl hexanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .

   

2-Propylphenol

1-Hydroxy-2-N-propylbenzene

C9H12O (136.08881019999998)


2-Propylphenol is a flavouring ingredien Flavouring ingredient

   

1-Methoxy-4-propylbenzene

1-Methoxy-4-propylbenzene, 9ci

C10H14O (150.1044594)


1-Methoxy-4-propylbenzene is found in herbs and spices. 1-Methoxy-4-propylbenzene is a flavouring ingredient. 1-Methoxy-4-propylbenzene is present in dried bonito (Katsuobishi), capers (Caparis spinosa), aniseed (Pimpinella anisum), leaf oil of apple mint (Mentha rotundifolia) and flower honey 1-Methoxy-4-propylbenzene is a flavouring ingredient. It is found in herbs such as dried bonito (Katsuobishi), capers (Caparis spinosa), aniseed (Pimpinella anisum), leaf oil of apple mint (Mentha rotundifolia), and flower honeys.

   

alpha,alpha-Dimethylphenethyl formate

Phenethyl alcohol, alpha,alpha-dimethyl-, formate

C11H14O2 (178.09937440000002)


alpha,alpha-Dimethylphenethyl formate is a flavouring ingredient with a spicy tast Flavouring ingredient with a spicy taste

   

Methyl 4-tert-butylphenylacetate

Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester

C13H18O2 (206.1306728)


Methyl 4-tert-butylphenylacetate is a flavouring ingredient with a roasted, chocolate-like flavour. Methyl 4-tert-butylphenylacetate is used in oral care product Flavouring ingredient with a roasted, chocolate-like flavour. It is used in oral care products Methyl p-tert-butylphenylacetate is an endogenous metabolite.

   

alpha-Methylphenethyl butyrate

alpha-Methylphenethyl butyric acid

C13H18O2 (206.1306728)


alpha-Methylphenethyl butyrate is a flavouring ingredient. Flavouring ingredient

   

2-Methyl-1-phenyl-2-propanyl butyrate

Butyric acid, alpha,alpha-dimethylphenethyl ester

C14H20O2 (220.14632200000003)


2-Methyl-1-phenyl-2-propanyl butyrate is a flavouring agent. Flavouring agent

   

(±)-2-Methyl-3-(2-methylphenyl)propanal

(±)-2-Methyl-3-(2-methylphenyl)propanal

C11H14O (162.1044594)


(±)-2-Methyl-3-(2-methylphenyl)propanal is a component of *FEMA 2748* together with m- and p-isomers. (±)-2-Methyl-3-(2-methylphenyl)propanal is a flavouring ingredient for baked goods, confectionery and nonalcoholic beverages. Component of *FEMA 2748* together with m- and p-isomers. Flavouring ingredient for baked goods, confectionery and nonalcoholic beverages

   

4-Hydroxynorephedrine

(1s,2r)-1-(4-Hydroxyphenyl)-2-amino-1-propanol

C9H13NO2 (167.09462380000002)


4-Hydroxynorephedrine is a metabolite of methamphetamine. Methamphetamine, also known as methamfetamine, meth, N-methylamphetamine, methylamphetamine, and desoxyephedrine, is a psychostimulant of the phenethylamine and amphetamine class of psychoactive drugs. Methamphetamine increases alertness, concentration, energy, and in high doses, can induce euphoria, enhance self-esteem and increase libido. (Wikipedia)

   

N-Desmethyl tapentadol

3-[(2R,3R)-2-methyl-1-(methylamino)pentan-3-yl]phenol

C13H21NO (207.1623056)


N-Desmethyl tapentadol is a metabolite of tapentadol. Tapentadol (trade name Nucynta, Palexia, In India - ZYNTAP) is a centrally acting analgesic with a dual mode of action as an agonist of the μ-opioid receptor and as a norepinephrine reuptake inhibitor. It is also an agonist of the σ2 receptor, though the function of this orphan receptor remains controversial. While its analgesic actions have been compared to tramadol and oxycodone, its general potency is somewhere between tramadol and morphine in effectiveness. (Wikipedia)

   

UK-121,265

4-[(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-5-fluoropyrimidin-1-ium-1-olate

C16H14F3N5O2 (365.109954)


UK-121,265 is a metabolite of voriconazole. Voriconazole is a triazole antifungal medication that is generally used to treat serious, invasive fungal infections. These are generally seen in patients who are immunocompromised, and include invasive candidiasis, invasive aspergillosis, and certain emerging fungal infections. (Wikipedia)

   

4-Hydroxyvoriconazole

(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butane-1,2-diol

C16H14F3N5O2 (365.109954)


4-Hydroxyvoriconazole is a metabolite of voriconazole. Voriconazole is a triazole antifungal medication that is generally used to treat serious, invasive fungal infections. These are generally seen in patients who are immunocompromised, and include invasive candidiasis, invasive aspergillosis, and certain emerging fungal infections. (Wikipedia)

   

2-(4-methoxyphenyl)propan-2-ol

4-Methoxy-alpha,alpha-dimethylbenzyl alcohol

C10H14O2 (166.09937440000002)


2-(4-methoxyphenyl)propan-2-ol, also known as 4-Methoxy-alpha,alpha-dimethylbenzyl alcohol, is classified as a member of the Phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. 2-(4-methoxyphenyl)propan-2-ol is considered to be slightly soluble (in water) and relatively neutral

   

1,4-Bis-(1,1-dimethylethyl)-benzene

1,4-Bis-(1,1-dimethylethyl)-benzene

C14H22 (190.1721412)


1,4-bis-(1,1-dimethylethyl)-benzene, also known as Para-di-tert-butylbenzene, is classified as a member of the phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. 1,4-bis-(1,1-dimethylethyl)-benzene can be found in feces.

   

(2-((3,5-Di-t-butyl-4-hydroxyphenyl)thio)-1-methylpropoxy)acetic acid

2-({3-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulphanyl]butan-2-yl}oxy)acetic acid

C20H32O4S (368.2021192)


   

(2,2-Dimethyl-1-nitrosopropyl)benzene

(2,2-Dimethyl-1-nitrosopropyl)benzene

C11H15NO (177.115358)


   

(2,2-Dimethyl-3-nitrosopropyl)benzene

(2,2-Dimethyl-3-nitrosopropyl)benzene

C11H15NO (177.115358)


   

suloctidil

2-(Octylamino)-1-[4-(propan-2-ylsulphanyl)phenyl]propan-1-ol

C20H35NOS (337.24392200000005)


   

(-)-4-Hydroxynorephedrin

4-(2-amino-1-hydroxypropyl)phenol

C9H13NO2 (167.09462380000002)


   

(-)-Norephedrine

Hydrochloride, phenylpropanolamine

C9H13NO (151.0997088)


   

1-(Pentafluorophenyl)propane

1,2,3,4,5-pentafluoro-6-propylbenzene

C9H7F5 (210.04678819999998)


   

2,4,6-Tri-tert-butylphenol

2,6-Pyridinedimethanol-bis-(N-methylcarbamate)

C18H30O (262.229653)


   

2,5-Di-tert-butylhydroquinone

2,5-Di(tert-butyl)-1,4-benzohydroquinone

C14H22O2 (222.1619712)


D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors 2,5-Di-tert-butylhydroquinone (DTBHQ), the indirect food additive, regulates the activity of 5-lipoxygenase as well as the activity of COX-2 (IC50=1.8 and 14.1 μM for 5-LO and COX-2, respectively) [1].

   

2-{2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy}ethanol

2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethan-1-ol

C18H30O3 (294.21948299999997)


   

3-(2-Amino-1-hydroxypropyl)phenol

3-(2-Amino-1-hydroxypropyl)phenol

C9H13NO2 (167.09462380000002)


D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents

   

3-Hydroxy-3-phenylpentanamide

3-Hydroxy-3-phenylpentanamide

C11H15NO2 (193.110273)


   
   

2-Propanol, 1-((1-methylethyl)amino)-3-(2,4,6-tripropylphenoxy)-

2-Propanol, 1-((1-methylethyl)amino)-3-(2,4,6-tripropylphenoxy)-

C21H37NO2 (335.2824142)


   

4-(1,1-Dimethylhexyl)phenol

4-(2-methylheptan-2-yl)phenol

C14H22O (206.1670562)


   

4-[(2R)-1-Hydroxy-2-(methylamino)propyl]phenol

Cassella-med brand OF oxilofrine hydrochloride

C10H15NO2 (181.110273)


   

4-Tert-Butylcatechol

4-tert-butylbenzene-1,2-diol

C10H14O2 (166.09937440000002)


D020011 - Protective Agents > D000975 - Antioxidants COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Racephedrine

2-(methylamino)-1-phenylpropan-1-ol

C10H15NO (165.115358)


   

Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-

Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-

C21H35NO (317.27185000000003)


D000890 - Anti-Infective Agents > D000935 - Antifungal Agents

   

Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate

2-[2-(2-{[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyl]oxy}ethoxy)ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate

C34H50O8 (586.35055)


   

1,4-Bis((p-propylphenoxy)acetyl)piperazine

2-(4-propylphenoxy)-1-{4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl}ethan-1-one

C26H34N2O4 (438.25184440000004)


   

(4E)-2-(4-Chlorophenyl)-4-methoxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

2-(4-chlorophenyl)-4-(methoxyimino)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

C15H19ClN4O2 (322.11964639999997)


   

Benzene, 1-[(4-butylphenyl)ethynyl]-4-propyl-

Benzene, 1-[(4-butylphenyl)ethynyl]-4-propyl-

C21H24 (276.1877904)


D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins

   

2H-1,2-Oxazin-3(4H)-one, 4-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)dihydro-2-methyl-

2H-1,2-Oxazin-3(4H)-one, 4-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)dihydro-2-methyl-

C20H29NO3 (331.2147324)


   

Cumene hydroperoxide

alpha,alpha-Dimethylbenzyl hydroperoxide

C9H12O2 (152.0837252)


D009676 - Noxae > D016877 - Oxidants

   

2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid

2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]hexanoic acid

C20H32O3S (352.2072042)


   

Dicumyl peroxide

{2-[(2-phenylpropan-2-yl)peroxy]propan-2-yl}benzene

C18H22O2 (270.1619712)


   

4-Methylracephedrine

2-(methylamino)-1-(4-methylphenyl)propan-1-ol

C11H17NO (179.1310072)


   

Dihydroalprenolol

1-[(propan-2-yl)amino]-3-(2-propylphenoxy)propan-2-ol

C15H25NO2 (251.188519)


D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

Elsibucol

4-[2,6-Di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulphanyl]propan-2-yl}sulphanyl)phenoxy]butanoic acid

C35H54O4S2 (602.3463324)


   

Embutramide

N-(2-(3-Methoxyphenyl)-2-ethylbutyl-(1))-gamma-hydroxybutyramide

C17H27NO3 (293.1990832)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Ephedrine methyl ether

(1-methoxy-1-phenylpropan-2-yl)(methyl)amine

C11H17NO (179.1310072)


   

FA 15 (antioxidant)

FA 15 (antioxidant)

C31H49NO2 (467.3763094)


   

(2S,3S)-2-(2,4-Difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

C13H15F2N3O3S (331.08021440000005)


   

Ibufenac

2-[4-(2-methylpropyl)phenyl]acetic acid

C12H16O2 (192.1150236)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

Igmesine

(cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine

C23H29N (319.2299874)


   

Isavuconazole

4-{2-[3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

C22H17F2N5OS (437.11218160000004)


   

isoxsuprine

4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol

C18H23NO3 (301.1677848)


   

3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol

3-[1-(dimethylamino)-2-methylpentan-3-yl]phenol

C14H23NO (221.17795479999998)


   

Lifibrol

4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid

C21H26O4 (342.18309960000005)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent

   

m-Hydroxyephedrine

HCL(R-(R*,s*))-isomer OF 3-hydroxyephedrine

C10H15NO2 (181.110273)


   

2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol

2,6-di-tert-butyl-4-({[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]methyl}sulfanyl)phenol

C29H44O2S2 (488.2782564)


   

2-Aminomethyl-4-t-butyl-6-iodophenol

2-Aminomethyl-4-t-butyl-6-iodophenol hydrochloride

C11H16INO (305.0276596)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

   

n-diethyl-m-toluamide

3-(pentan-3-yl)benzamide

C12H17NO (191.1310072)


   

Nicanartine

2,6-di-tert-butyl-4-{3-[(pyridin-3-yl)methoxy]propyl}phenol

C23H33NO2 (355.25111580000004)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C26170 - Protective Agent > C275 - Antioxidant

   

Nylidrin

4-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]propyl}phenol

C19H25NO2 (299.188519)


G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AA - 2-amino-1-phenylethanol derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

Pcera-1

[1-(3-Methoxyphenyl)-1-(octanoylamino)propan-2-yl] dihydrogen phosphate

C18H30NO6P (387.18106500000005)


   

Phenol A

5-(3-hydroxybutan-2-yl)-4-methylbenzene-1,3-diol

C11H16O3 (196.1099386)


   

Phospho-ibuprofen

2-(4-Isobutylphenyl)propionic acid 4-(diethoxyphosphoryloxy)butyl ester

C13H17O4P (268.0864412)


   

Ravuconazole

4-{2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

C22H17F2N5OS (437.11218160000004)


   

Tert-butylbenzene

1-Bromo-4-tert-butylbenzene

C10H14 (134.1095444)


   

Phenol, 2-(1,1,3,3-tetramethylbutyl)-

Phenol, 2-(1,1,3,3-tetramethylbutyl)-

C14H22O (206.1670562)


   

Triton X-100

alpha-(4-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)

C16H26O2 (250.1932696)


Pesticide diluent in foods

   

N-Methoxy-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-pyrrolidone

3-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-1-methoxypyrrolidin-2-one

C20H29NO3 (331.2147324)


   

7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-3,5-dienamide

N-Hydroxy7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-3,5-dienimidate

C17H22N2O3 (302.16303419999997)


   

1-Methyl-4-isobutylbenzene

1-methyl-4-(2-methylpropyl)benzene

C11H16 (148.1251936)


1-methyl-4-isobutylbenzene is a member of the class of compounds known as phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. 1-methyl-4-isobutylbenzene can be found in anise, which makes 1-methyl-4-isobutylbenzene a potential biomarker for the consumption of this food product.

   

(±)-erythro-Anethole glycol

1-(4-methoxyphenyl)propane-1,2-diol

C10H14O3 (182.0942894)


Constituent of Illicium verum (Chinese star anise). (±)-erythro-Anethole glycol is found in fruits.