Exact Mass: 286.16
Exact Mass Matches: 286.16
Found 500 metabolites which its exact mass value is equals to given mass value 286.16,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Androstenedione
Androst-4-en-3,17-dione, also known as androstenedione or delta(4)-androsten-3,17-dione, belongs to androgens and derivatives class of compounds. Those are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, androst-4-en-3,17-dione is considered to be a steroid lipid molecule. Androst-4-en-3,17-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Androst-4-en-3,17-dione can be found in a number of food items such as naranjilla, purslane, common cabbage, and oval-leaf huckleberry, which makes androst-4-en-3,17-dione a potential biomarker for the consumption of these food products. Androst-4-en-3,17-dione can be found primarily in blood, cerebrospinal fluid (CSF), and urine, as well as throughout most human tissues. In humans, androst-4-en-3,17-dione is involved in a couple of metabolic pathways, which include androgen and estrogen metabolism and androstenedione metabolism. Androst-4-en-3,17-dione is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. Moreover, androst-4-en-3,17-dione is found to be associated with rheumatoid arthritis, thyroid cancer , cushings Syndrome, and schizophrenia. Androst-4-en-3,17-dione is a non-carcinogenic (not listed by IARC) potentially toxic compound. Androstenedione is a delta-4 19-carbon steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol. It is the common precursor of male and female sex hormones. Some androstenedione is also secreted into the plasma and may be converted in peripheral tissues to testosterone and estrogens. Androstenedione originates either from the conversion of dehydroepiandrosterone or from 17-hydroxyprogesterone. It is further converted to either testosterone or estrone. The production of adrenal androstenedione is governed by ACTH, while the production of gonadal androstenedione is under control by gonadotropins. CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9081; ORIGINAL_PRECURSOR_SCAN_NO 9076 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9111; ORIGINAL_PRECURSOR_SCAN_NO 9108 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9064 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9077; ORIGINAL_PRECURSOR_SCAN_NO 9075 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9113; ORIGINAL_PRECURSOR_SCAN_NO 9112 C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2803 INTERNAL_ID 2803; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4165
16a-Hydroxyestrone
16a-Hydroxyestrone or 16alpha-hydroxyestrone (16α-OH-E1 or 16a OHE1), or hydroxyestrone, is an endogenous steroidal estrogen and a major metabolite of estrone and estradiol. 16a-hydroxyestrone belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Thus, 16a-hydroxyestrone is considered to be a steroid molecule. 16a-hydroxyestrone is found in all vertebrates. Vertebrates, especially mammals, metabolizes estrogen into two major pathways and one minor. The two major pathways lead to 2-hydroxyestrone and 16a-hydroxyestrone (2-OHE1 and 16a OHE1 respectively). The minor pathway leads to 4-hydroxyestrone (4-OHE1). 2a-hydroxyestrone is considered to be the good metabolite (PMID: 8943806) as 2-hydroxyestrone does not stimulate cell growth and it blocks the action of stronger estrogens that may be carcinogenic. 16a-Hydroxyestrone, on the other hand, has a significantly stronger estrogenic activity, and studies show that it may increase the risk of breast cancer. The binding of 16a-hydroxyestrone to the estrogen receptor is reported to be covalent and irreversible (PMID: 3186693). A low urinary ratio of 2-hydroxyestrone to 16-alpha-hydroxyestrone is a strong predictor of breast cancer risk among women (PMID: 19502596). Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Boldenon
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid Same as: D07536 Origin: Animal; SubCategory_DNP: The sterols, Androstanes
octamethylpyrophosphoramide
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Abacavir
Abacavir is only found in individuals that have used or taken this drug. It is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. [Wikipedia]Abacavir is a carbocyclic synthetic nucleoside analogue. Intracellularly, abacavir is converted by cellular enzymes to the active metabolite carbovir triphosphate, an analogue of deoxyguanosine-5-triphosphate (dGTP). Carbovir triphosphate inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
2-Hydroxyestrone
2-Hydroxyestrone (2-OHE1), also known as estra-1,3,5(10)-trien-2,3-diol-17-one, is an endogenous, naturally occurring catechol estrogen and a major metabolite of estrone and estradiol. 2-Hydroxyestrone belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Thus, 2-Hydroxyestrone is considered to be a steroid molecule. It is formed irreversibly from estrone in the liver and to a lesser extent in other tissues via 2-hydroxylation mediated by cytochrome P450 enzymes, mainly the CYP3A and CYP1A subfamilies. 2-OHE1 is the most abundant catechol estrogen in the body. 2-Hydroxyestrone is found in all vertebrates. Vertebrates, especially mammals, metabolizes estrogen into two major pathways and one minor. The two major pathways lead to 2-hydroxyestrone and 16a-hydroxyestrone (2-OHE1 and 16a OHE1, respectively). The minor pathway leads to 4-hydroxyestrone (4-OHE1). 2a-hydroxyestrone is considered to be the good steroid metabolite (PMID: 8943806) as 2-hydroxyestrone does not stimulate cell growth and it blocks the action of stronger estrogens that may be carcinogenic. 2-hydroxyestrone is not significantly uterotrophic, whereas other hydroxylated estrogen metabolites including 2-hydroxyestradiol, 16a-hydroxyestrone, estriol, 4-hydroxyestradiol, and 4-hydroxyestrone all are. A low urinary ratio of 2-hydroxyestrone to 16-alpha-hydroxyestrone is a strong predictor of breast cancer risk among women (PMID: 19502596). Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
METHALLENESTRIL
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
16-Ketoestradiol
16-Ketoestradiol is found in the estrogen patch. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle (Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although the estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. [HMDB] 16-Ketoestradiol is found in the estrogen patch. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle (Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although the estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Methylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
androst-5-ene-3,17-dione
androst-5-ene-3,17-dione, also known as delta5-ADD or δ5-add, is classified as an androgen or an Androgen derivative. Androgens are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. androst-5-ene-3,17-dione is considered to be practically insoluble (in water) and relatively neutral D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Cromakalim
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
16b-Hydroxyestrone
16b-Hydroxyestrone is an aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone, a major mammalian estrogen. It is converted from androstenedione directly, or from testosterone via estradiol. In humans, it is produced primarily by the cyclic ovaries, placenta, and the adipose tissue of men and postmenopausal women. An aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone, a major mammalian estrogen. It is converted from androstenedione directly, or from testosterone via estradiol. In humans, it is produced primarily by the cyclic ovaries, placenta, and the adipose tissue of men and postmenopausal women. [HMDB] C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Citronellyl cinnamate
Citronellyl cinnamate is used in food flavouring. It is used in food flavouring
4-Hydroxyestrone
4-Hydroxyestrone is metabolite originating from 17beta-estradiol, and is reported as carcinogenic and have ability to initiate cancer. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A human metabolite taken as a putative food compound of mammalian origin [HMDB] 4-Hydroxyestrone (4-OHE1), an estrone metabolite, has strong neuroprotective effect against oxidative neurotoxicity. 4-Hydroxyestrone increases cytoplasmic translocation of p53 resulting from SIRT1-mediated deacetylation of p53. 4-Hydroxyestrone has little estrogenic activity[1].
17beta-Estradiol-2,3-quinone
This compound belongs to the family of Ketosteroids. These are steroid derivatives.
17beta-Estradiol-3,4-quinone
This compound belongs to the family of Ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.
10-alpha-methoxy-9,10-dihydrolysergol
10-alpha-methoxy-9,10-dihydrolysergol is a metabolite of nicergoline. Nicergoline (marketed under the trade name Sermion) is an ergot derivative used to treat senile dementia and other disorders with vascular origins. It has been found to increase mental agility and enhance clarity and perception. It decreases vascular resistance and increases arterial blood flow in the brain, improving the utilization of oxygen and glucose by brain cells. It has similar vasoactive properties in other areas of the body, particularly the lungs. (Wikipedia)
Thonzylamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Thonzylamine is a first-generation ethylenediamine H1-antihistamine. Thonzylamine is an orally active H1 histamine receptor antagonist, exhibits good antihistaminic and antianaphylactic properties. Thonzylamine can be used for the research of hypersensitivity diseases, nasal congestion, allergic conjunctivitis and other allergic diseases[1][2].
1,3,5[10]-Estratriene-3,4-diol-17-one
Triethylene glycol dimethacrylate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
17alpha-Methylestradiol
3beta-Hydroxy-5,7-androstadien-17-one
6-Ketoestradiol
(8R,9R,10R,13S,14S)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
A delta-4 19-carbon steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol. It is the common precursor of male and female sex hormones. Some androstenedione is also secreted into the plasma, and may be converted in peripheral tissues to testosterone and estrogens. Androstenedione originates either from the conversion of dehydroepiandrosterone or from 17-hydroxyprogesterone. It is further converted to either testosterone or estrone. The production of adrenal androstenedione is governed by ACTH, while production of gonadal androstenedione is under control by gonadotropins. [HMDB]
N-[2-(3,5-Dioxopiperazino)propyl]-N-(2-amino-2-oxoethyl)glycine
1,3-Dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene
(8R,9R,10R,13S,14S)-10,13-Dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
3-(2-Butynyl)-5-methyl-2-(piperazin-1-yl)-3,5-dihydroimidazo[4,5-d]pyridazin-4-one
5-androstene-3,17-dione
5-androstene-3,17-dione belongs to androgens and derivatives class of compounds. Those are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. 5-androstene-3,17-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5-androstene-3,17-dione can be found in a number of food items such as taro, red raspberry, calabash, and garland chrysanthemum, which makes 5-androstene-3,17-dione a potential biomarker for the consumption of these food products.
Methyl 2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-chromene-6-carboxylate
3-(4-Ethoxyphenyl)-2-(morpholinocarbonyl)acrylonitrile
methyl 2-ethyl-4-[(3R,4R,5S)-5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl]-2-methyl-3-oxobutanoate
1-[8-(3-Hydroxy-3-methyl-1-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-ethanon
17-hydroxy-19-norisopimara-4(18),8(14),15-trien-7-one
(+)-18-hydroxyestrone|10-Hydroxy-oestron|3,18-dihydroxy-estra-1,3,5(10)-trien-17-one|3,18-Dihydroxy-oestra-1,3,5(10)-trien-17-on
(3E,6R,11S,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxa-3-cyclotetradecene-2,8-tetrone|(6R,11S,12S,14R)-9,10-dihydrocolletodiol
3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraen-7-one|3??,12-Dihydroxy-13-methyl-5,8,11,13-podocarpatetraen-7-one
2-Methylpropanoyl-(E,E)-1-Hydroxy-6,12-tetradecadiene-8,10-diyn-3-one
Me ester-(all-E)-3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid
5-acetyl-2-(2-hydroxyisopropyl)-7-(3,3-dimethylallyl)-benzofuran|5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran
(+)-(1R)-1,12-dihydroxy-20-norabieta-5(10),8,11,13-tetraene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(4aRS,9SR,10aSR)-1,3,4,9,10,10a-hexahydro-6-hydroxy-1,1-dimethyl-2H-9,4a-(epoxymethano)phenanthrene-7-carboxaldehyde|przewalskin F
1,2-dihydroheudelotinol|3beta,12-dihydroxy-9(10->20)-abeo-16,17-dinor-abieta-8,10(20),11,13-tetraene
6-acetoxy-2-acetyl-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline|N,O-Diacetyl-shepherdin|N,O-diacetyl-shepherdine
Epi-cryptoacetalide
Epi-Cryptoacetalide is a natural product found in Salvia miltiorrhiza with data available.
20-nor-8(9),15-isopimaradien-7,11-dione|20-Nor-8,15-isopimaradiene-7,11-dione
(-)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
1,10:4,5-Diepoxy-6,11-germacranediol-(1R,4R,5R,6R,10R)-form-14-Hydroyx
4-hydroxy-1-methyl-3-[(E)-benzylidene]-6-[(E)-isobutylidene]-2,5-piperazinedione|lansai C
6-methoxy-3-(2-hydroxy-1-ethoxyethyl)-beta-carboline
(+)-(1R*,10R*)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide
5alpha,6alpha-epoxy-12-hydroxy-13-methyl-8,11,13-podocarpatrien-7-one|crossogumerin B
2,6-deoxyfructosazine|2-(1,2,3,4-tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine
3alpha-hydroxy-12-methoxy-13-methyl-ent-podocarp-6,8,11,13-tetraene
15-hydroxy-16-norabieta-8,11,13-trien-3-one|euolutchuol C
2,3-dihydroxy-18-norrosa-1(10),2,4,15-tetraene|euphebracteolatin A|rel-(4bR,7R,8aR)-7-ethenyl-4b,5,6,7,8,8a,9,10-octahydro-1,4b,7-trimethylphenanthrene-2,3-diol
14-hydroxy-13-methoxy-1,8,11,13-podocarpatetraen-3-one
2-Ethyl-2-methyl-5-(1-acetylethyl)-3-oxoadipic acid hydrogen 1-methyl ester
(2alpha,4beta,6alpha,8alpha,9alpha,10alpha)-8,9-Epoxy-2,4,6,10-daucanetetrol
cannabidiol propyl analogue|CBD-V|Delta9-Tetrahydrocannabivarin
(E)-15,16-dihydrominquartynoic acid|(S)-(E)-15,16-dihydrominquartynoic acid|(S)-17-hydroxy-15E-octadecen-9,11,13-triynoic acid
Methyl 2-methyl-4-[2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-2-butenoate
1-acetoxy-heptadeca-8t,10t-diene-4,6-diyne|2,3-Dihydrooenanthetolacetat
7-((E)-3,7-dimethylocta-2,6-dienyl)-5-hydroxybenzofuran-2(3H)-one|7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3H-benzofuran-2-one|denudalide|lettowienolide
Tensyuic acid E
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 7-(methoxycarbonyl)heptanyl group. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
7-acetoxy-2-acetyl-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline|N,O-Diacetyl-tetrahydroharmol
3-oxo-16,19-norisopimara-4,6-dien-8alpha,15alpha-olide|trogopteroid A
1-[5-acetyl-2-hydroxy-3-(3-methyl-2-butenyl)phenyl]-3-methyl-2-buten-1-one
Lettowienolide
Lettowienolide is a natural product found in Lettowianthus stellatus and Magnolia denudata with data available.
Androstenedione
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Origin: Animal; SubCategory_DNP: The sterols, Androstanes CONFIDENCE standard compound; INTERNAL_ID 8732 INTERNAL_ID 8732; CONFIDENCE standard compound Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
8-(4-Methoxy-2,3,6-trimethyl-phenyl)-6-methyl-octa-3,5-dien-2-one
methyl 2-ethyl-4-[(3R,4R,5S)-5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl]-2-methyl-3-oxobutanoate
2-hydroxyestrone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
4-hydroxyestrone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4. 4-Hydroxyestrone (4-OHE1), an estrone metabolite, has strong neuroprotective effect against oxidative neurotoxicity. 4-Hydroxyestrone increases cytoplasmic translocation of p53 resulting from SIRT1-mediated deacetylation of p53. 4-Hydroxyestrone has little estrogenic activity[1].
methyl (E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-enoate
6-dehydrotestosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
15:6(2Z,4E,6Z,8E,12E,14)(6Me,8Me,10Me[S],13Me)
ST 18:4;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 4-Hydroxyestrone (4-OHE1), an estrone metabolite, has strong neuroprotective effect against oxidative neurotoxicity. 4-Hydroxyestrone increases cytoplasmic translocation of p53 resulting from SIRT1-mediated deacetylation of p53. 4-Hydroxyestrone has little estrogenic activity[1].
ST 19:3;O2
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
tert-butyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
(R)-tert-butyl 2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
tert-Butyl 3-(3-hydroxyprop-1-ynyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
2-(1-PROPYL-4-PIPERIDINYL)-1H-BENZIMIDAZOLE-7-CARBOXAMIDE
thenalidine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
hydroxy-2-oxoethyl]butyl]-,1,1-dimethylethyl ester
4-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid
5-NORBORNENE-2-CARBOXYLIC 2-METHYL-2-ADAMANTYL ESTER
3-(3-BOC-AMINO-PYRROLIDIN-1-YL)-2-METHYL-PROPIONICACIDMETHYLESTER
1H-Indole-7-carboxamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-Benzyl-2-(difluoro(phenyl)Methyl)-4,5-dihydro-1H-imidazol-e
(2R,3R,5S,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
4,4,5,5-Tetramethyl-2-(3-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane
TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE
ethenyl acetate,ethyl prop-2-enoate,methyl 2-methylprop-2-enoate
3-PHENYL-1-(PYRIDIN-2-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE
1-Androstenedione
1-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl)ethanone
1-Boc-2-(2-Methoxy-2-oxoethylcarbamoyl)pyrrolidine
6Beta-hydroxyestrone
A 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 6.
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxamide
1-(2,6-Dimethoxybenzyl)piperidin-4-aminehydrochloride
Ethanol,2-(pentylamino)-, 1-(4-aminobenzoate), hydrochloride (1:1)
(3AR,4S,5R,6AS)-4-(HYDROXYMETHYL)-5-((TRIETHYLSILYL)OXY)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
ETHYL 1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLATE
1-Boc-4-[(N-methoxy-N-methylcarbamoyl)methyl]piperidine
4-(3-CARBOXY-PROPIONYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(3-FORMYL-INDOL-1-YL)-N-(TETRAHYDRO-FURAN-2-YLMETHYL)-ACETAMIDE
2-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid
tert-butyl 2-(3-chloropropyl)-2-cyanopiperidine-1-carboxylate
3-PYRROLIDIN-2-YL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
8-Benzyl-2-ethyl-2,8-diazaspiro[4.5]decane-1,3-dione
5-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]-1H-tetr azole
Linogliride
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate
2-(Trifluoromethyl)benzylboronic acid pinacol ester
(1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol
2,4-DI(TERT-BUTOXY)PYRIMIDIN-5-YLBORONIC ACID HYDRATE
4-(Trifluoromethyl)benzylboronic acid pinacol ester
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-cyclopentyl-acetamide
4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-methyloxirane
1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-methyl-, methyl ester
(2S,5S)-1-((S)-2-METHOXYCARBONYLAMINO)-3-METHYLBUTYRYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate acetate
(2S,3S,5R,6R)-5,6-Bis(azidoMethyl)-2,3-diMethoxy-2,3-diMethyl-1,4-dioxane
2-ETHOXYCARBONYLMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(2S,3S)-diethyl 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
3,4-dimethyl-2,6-dinitro-N-(2,2,3,4,4-pentadeuteriopentan-3-yl)aniline
2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinoline
3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (2,4-dimethylphenyl)methylester
TERT-BUTYL N-[(4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL)METHYL]CARBAMATE
1-(NAPHTHALEN-2-YLOXY)-3-PIPERAZIN-1-YL-PROPAN-2-OL
Fenpipalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-[(4-Methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium
15alpha-Hydroxyestrone
A 17-oxo steroid that is estrone substituted by an alpha-hydroxy group at position 15.
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide
N-[4-(methoxymethyl)-6-methyl-2-oxo-1H-quinolin-7-yl]cyclopropanecarboxamide
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropanecarboxamide
(3S)-1-Cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
trans-6-(2-Phenylcyclopropyl)-naphthalene-2-carboxamidine
[R,(+)]-beta-Ethyl-alpha,alpha-dimethyl-6-methoxy-2-naphthalenepropionic acid
Thonzylamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Thonzylamine is an orally active H1 histamine receptor antagonist, exhibits good antihistaminic and antianaphylactic properties. Thonzylamine can be used for the research of hypersensitivity diseases, nasal congestion, allergic conjunctivitis and other allergic diseases[1][2].
Cromakalim
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent Same as: D02385
2-[(1S,6S)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-propyl-benzene-1,3-diol
3-[Hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Methyl 2-ethyl-4-(5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl)-2-methyl-3-oxobutanoate
(8R,9R,10R,13S,14S)-10,13-Dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
2(3H)-Furanone, dihydro-3-((S)-hydroxyphenylmethyl)-4-((1-methyl-1H-im idazol-4-yl)methyl)-, (3S,4R)-
1,3-Dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene
Morphine(1+)
The conjugate acid of morphine arising from protonation of the tertiary amino group; major species at pH 7.3.
(1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium
(4R)-4-[(1R)-2,4-dihydroxy-1,4-dimethylcyclohexyl]-4-methyl-1-oxaspiro[2.4]heptane-6,7-diol
3-(2-Butynyl)-5-methyl-2-(piperazin-1-yl)-3,5-dihydroimidazo[4,5-d]pyridazin-4-one
[3-Carboxy-2-(3-carboxy-2-methylidenebut-3-enoyl)oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-5-carboxypenta-2,4-dienoyl]oxypropyl]-trimethylazanium
6alpha-Hydroxyestrone
A 6alpha-hydroxy steroid that is estrone substituted by an alpha-hydroxy group at position 6. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Estrololactone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3beta,12-Dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
A diterpenoid that is podocarpa-5,8,11,13-tetraen-7-one substituted by hydroxy groups at positions 3 and 12 and a methyl group at position 13 (the 3beta stereoisomer). Isolated from Securinega suffruticosa, it exhibits antineoplastic activity.
1-(1-Benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol
8-Phenyl-2,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazole
(2S)-2-(methylazaniumyl)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
[5-(2-Methoxyphenyl)-3-isoxazolyl]-(1-piperidinyl)methanone
N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
[(1S,4R)-4-[2-amino-6-(azetidin-1-yl)purin-9-yl]cyclopent-2-en-1-yl]methanol
1-(3,4-Dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
9-Methyl-4-oxo-2-(1-piperidinyl)-3-pyrido[1,2-a]pyrimidinecarboxaldehyde oxime
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-pyridinyl)ethanamine
3-(3,5-Diisopropyl-4-hydroxyphenyl)-3-trifluoromethyl diazirine
3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoic acid
(7R)-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(7S)-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5R)-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
8-fluoro-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indol-3-ium
(3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one
1-Methoxy-4-[1-[1-(4-methoxyphenyl)ethoxy]ethyl]benzene
2-[(3-Ethoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Abacavir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
SCHRADAN
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
16α-Hydroxyestrone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones The 16alpha-hydroxy derivative of estrone; a minor estrogen metabolite.
5-Androstenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-(3-methylbut-2-enyl)-L-abrine
A methy-amino acid that is L-tryptophan substituted at the N(alpha)-position by a methyl group and at the 4-position by a 3-methylbut-2-enyl group.
(S)-coclaurinium
Conjugate acid of (S)-coclaurine arising from protonation of the isoquinoline nitrogen.
16beta-Hydroxyestrone
A 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 16.
6,8,10S,13-tetramethyl-2Z,4E,6Z,8E,12E,14E-pentadecahexaenoic acid
4-(3-methylbut-2-enyl)-L-abrine zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-(3-methylbut-2-enyl)-L-abrine.
3-(3,5-dimethylhepta-1,3-dien-1-yl)-8-hydroxy-3,4-dihydro-2-benzopyran-1-one
(2e,4e)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
1-(dimethylamino)-13-ethenyl-11-(hydroxymethyl)-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol
(3e,5e,7e)-10-(4-hydroxyphenyl)deca-3,5,7-trien-1-yl acetate
2-methyl-n-[(2s)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanimidic acid
4,9-dihydroxy-10-(4-hydroxypentyl)-3-methyl-3,4,7,8,9,10-hexahydrooxecin-2-one
(2e)-5-(6-methoxy-2,8-dimethylchromen-2-yl)-2-methylpent-2-enal
(1s,2r,5r,6s,7r,8r)-6,7-dihydroxy-5-methyl-2-pentyl-3,11-dioxabicyclo[6.2.1]undecan-4-one
(2s)-2-ethoxy-2-{4-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethanol
6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
(2e,4e)-5-[(5r,6s,8s)-5-hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
5-hydroxy-6-(3-hydroxy-2-methylpropylidene)-1-methyl-3-(phenylmethylidene)pyrazin-2-one
1-[2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-en-1-yl)-1-benzofuran-5-yl]ethanone
7-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-3h-1-benzofuran-2-one
3β,12-dihydroxy-13-methyl-5,8,11,13-podocar-patetraen-7-one
{"Ingredient_id": "HBIN008009","Ingredient_name": "3\u03b2,12-dihydroxy-13-methyl-5,8,11,13-podocar-patetraen-7-one","Alias": "NA","Ingredient_formula": "C18H22O3","Ingredient_Smile": "CC1=C(C=C2C(=C1)C(=O)C=C3C2(CCC(C3(C)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6044","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,8-dimethoxy-1-(2-methoxyethyl)-beta-carboline
{"Ingredient_id": "HBIN010140","Ingredient_name": "4,8-dimethoxy-1-(2-methoxyethyl)-beta-carboline","Alias": "4,8-dimethoxy-1-(2-methoxyethyl)-\u03b2-carboline","Ingredient_formula": "C16H18N2O3","Ingredient_Smile": "COCCC1=NC=C(C2=C1NC3=C2C=CC=C3OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25853;6256","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
