Exact Mass: 302.1994
Exact Mass Matches: 302.1994
Found 500 metabolites which its exact mass value is equals to given mass value 302.1994,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Abietic_acid
Yellowish resinous powder. (NTP, 1992) Abietic acid is an abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. It has a role as a plant metabolite. It is an abietane diterpenoid and a monocarboxylic acid. It is a conjugate acid of an abietate. Abietic acid is a natural product found in Ceroplastes pseudoceriferus, Pinus brutia var. eldarica, and other organisms with data available. An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents CONFIDENCE standard compound; INTERNAL_ID 8337 Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2]. Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2].
8,13-Abietadien-18-oic acid
Palustric acid is a diterpenoid. Palustric acid is a natural product found in Larix gmelinii var. olgensis, Larix gmelinii var. gmelinii, and other organisms with data available. 8,13-Abietadien-18-oic acid is a constituent of Pinus palustris (pitch pine). Constituent of Pinus palustris (pitch pine)
Isopimaric acid
Isopimaric acid is a diterpenoid, a carbotricyclic compound and a monocarboxylic acid. It is a conjugate acid of an isopimarate. It derives from a hydride of an isopimara-7,15-diene. Isopimaric acid is a natural product found in Pinus brutia var. eldarica, Halocarpus bidwillii, and other organisms with data available. Isopimaric acid is isolated from Pinus palustris (pitch pine). D049990 - Membrane Transport Modulators D007476 - Ionophores Isopimaric acid is a potent opener of large conductance calcium activated K+ (BK) channels. Isopimaric acid is a potent opener of large conductance calcium activated K+ (BK) channels.
2-Methoxyestradiol
2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumors need in order to grow (angiogenesis). It is derived from estrogen, although it binds poorly to known estrogen receptors, and belongs to the family of drugs called angiogenesis inhibitors. It has undergone Phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. The CAS name for 2ME2 is (17 beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diol. It also acts as a vasodilator. [HMDB] 2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumours need in order to grow (angiogenesis). It is derived from estrogen, although it binds poorly to known estrogen receptors, and belongs to the family of drugs called angiogenesis inhibitors. It has undergone phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. 2ME2 also acts as a vasodilator. C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent 2-Methoxyestradiol (2-ME2), an orally active endogenous metabolite of 17β-estradiol (E2), is an apoptosis inducer and an angiogenesis inhibitor with potent antineoplastic activity. 2-Methoxyestradiol also destablize microtubules. 2-Methoxyestradio, also a potent superoxide dismutase (SOD) inhibitor and a ROS-generating agent, induces autophagy in the transformed cell line HEK293 and the cancer cell lines U87 and HeLa[1][2][3][4][5][6].
Eicosapentaenoic acid
Icosapent, also known as icosapentaenoate or (5z,8z,11z,14z,17z)-eicosapentaenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, icosapent is considered to be a fatty acid lipid molecule. Icosapent is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Icosapent can be found in a number of food items such as barley, sacred lotus, white lupine, and rape, which makes icosapent a potential biomarker for the consumption of these food products. Icosapent can be found primarily in blood, feces, sweat, and urine, as well as throughout most human tissues. In humans, icosapent is involved in the alpha linolenic acid and linoleic acid metabolism. Moreover, icosapent is found to be associated with essential hypertension and hypertension. Ethyl eicosapentaenoic acid (E-EPA, icosapent ethyl) is a derivative of the omega-3 fatty acid eicosapentaenoic acid (EPA) that is used in combination with changes in diet to lower triglyceride levels in adults with severe (≥ 500 mg/dL) hypertriglyceridemia. This was the second class of fish oil-based drug to be approved for use as a drug and was approved by the FDA in 2012. These fish oil drugs are similar to fish oil dietary supplements but the ingredients are better controlled and have been tested in clinical trials . The anti-inflammatory, antithrombotic and immunomodulatory actions of EPA is probably due to its role in eicosanoid physiology and biochemistry. Most eicosanoids are produced by the metabolism of omega-3 fatty acids, specifically, arachidonic acid. These eicosanoids, leukotriene B4 (LTB4) and thromboxane A2 (TXA2) stimulate leukocyte chemotaxis, platelet aggregation and vasoconstriction. They are thrombogenic and artherogenic. On the other hand, EPA is metabolized to leukotriene B5 (LTB5) and thromboxane A3 (TXA3), which are eicosanoids that promote vasodilation, inhibit platelet aggregation and leukocyte chemotaxis and are anti-artherogenic and anti-thrombotic. The triglyceride-lowering effect of EPA results from inhibition of lipogenesis and stimulation of fatty acid oxidation. Fatty acid oxidation of EPA occurs mainly in the mitochondria. EPA is a substrate for Prostaglandin-endoperoxide synthase 1 and 2. It also appears to affect the function and bind to the Carbohydrate responsive element binding protein (ChREBP) and to a fatty acid receptor (G-coupled receptor) known as GP40 (DrugBank). Eicosapentaenoic acid (EPA or also icosapentaenoic acid) is an important polyunsaturated fatty acid found in fish oils. It serves as the precursor for the prostaglandin-3 and thromboxane-3 families. A diet rich in eicosapentaenoic acid lowers serum lipid concentration, reduces incidence of cardiovascular disorders, prevents platelet aggregation, and inhibits arachidonic acid conversion into the thromboxane-2 and prostaglandin-2 families. Eicosapentaenoic acid is an omega-3 fatty acid. In physiological literature, it is given the name 20:5(n-3). Its systematic chemical name is all-cis-5,8,11,14,17-icosapentaenoic acid. It also has the trivial name timnodonic acid. Chemically, EPA is a carboxylic acid with a 20-carbon chain and five cis double bonds; the first double bond is located at the third carbon from the omega end. Because of the presence of double bonds, EPS is a polyunsaturated fatty acid. Metabolically it acts as a precursor for prostaglandin-3 (which inhibits platelet aggregation), thromboxane-3, and leukotriene-5 groups. It is found in fish oils of cod liver, herring, mackerel, salmon, menhaden, and sardine. It is also found in human breast milk (Wikipedia). Chemical was purchased from CAY 90110 (Lot. 0443819-6); Diagnostic ions: 301.2, 257.1, 202.9 CONFIDENCE standard compound; INTERNAL_ID 305 Eicosapentaenoic Acid (EPA) is an orally active Omega-3 long-chain polyunsaturated fatty acid (ω-3 LC-PUFA). Eicosapentaenoic Acid exhibits a DNA demethylating action that promotes the re-expression of the tumor suppressor gene CCAAT/enhancer-binding protein δ (C/EBPδ). Eicosapentaenoic Acid activates RAS/ERK/C/EBPβ pathway through H-Ras intron 1 CpG island demethylation in U937 leukemia cells. Eicosapentaenoic Acid can promote relaxation of vascular smooth muscle cells and vasodilation[1][2][3]. Eicosapentaenoic Acid (EPA) is an orally active Omega-3 long-chain polyunsaturated fatty acid (ω-3 LC-PUFA). Eicosapentaenoic Acid exhibits a DNA demethylating action that promotes the re-expression of the tumor suppressor gene CCAAT/enhancer-binding protein δ (C/EBPδ). Eicosapentaenoic Acid activates RAS/ERK/C/EBPβ pathway through H-Ras intron 1 CpG island demethylation in U937 leukemia cells. Eicosapentaenoic Acid can promote relaxation of vascular smooth muscle cells and vasodilation[1][2][3].
Bioallethrin
D010575 - Pesticides > D007306 - Insecticides > D000487 - Allethrins D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Methyltestosterone
A synthetic anabolic steroid used for treating men with testosterone deficiency or similar androgen replacement therapies. Also, has antineoplastic properties and so has been used secondarily in women with advanced breast cancer. Methyltestosterone is a schedule III drug in the US. CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9426; ORIGINAL_PRECURSOR_SCAN_NO 9425 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9487; ORIGINAL_PRECURSOR_SCAN_NO 9483 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9431 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9476; ORIGINAL_PRECURSOR_SCAN_NO 9475 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9423; ORIGINAL_PRECURSOR_SCAN_NO 9422 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9541; ORIGINAL_PRECURSOR_SCAN_NO 9538 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03E - Androgens and female sex hormones in combination > G03EK - Androgens and female sex hormones in combination with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03B - Androgens > G03BA - 3-oxoandrosten (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone CONFIDENCE standard compound; INTERNAL_ID 2816 D000970 - Antineoplastic Agents
Pimaric acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.561 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.568 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.560
(-)-Kaur-16-en-19-oic acid
(-)-kaur-16-en-19-oic acid, also known as ent-kaurenoic acid or ent-kaur-16-en-19-oate, is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D (-)-kaur-16-en-19-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (-)-kaur-16-en-19-oic acid can be found in sugar apple and sunflower, which makes (-)-kaur-16-en-19-oic acid a potential biomarker for the consumption of these food products. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1]. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1].
11beta-OHA4
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2829 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
Testololactone
16a-Hydroxyandrost-4-ene-3,17-dione
16alpha-Hydroxyandrost-4-ene-3,17-dione is involved in androgen and estrogen metabolism. 16alpha-Hydroxyandrost-4-ene-3,17-dione is produced from dehydroepiandrosterone through the work of 2 enzymes, [E1.14.99.-] and 3beta-hydroxy-delta5-steroid dehydrogenase [EC:1.1.1.145]. [HMDB] 16alpha-Hydroxyandrost-4-ene-3,17-dione is involved in androgen and estrogen metabolism. 16alpha-Hydroxyandrost-4-ene-3,17-dione is produced from dehydroepiandrosterone through the work of 2 enzymes, [E1.14.99.-] and 3beta-hydroxy-delta5-steroid dehydrogenase [EC:1.1.1.145]. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Hydroxyandrost-4-ene-3,17-dione
19-hydroxyandrost-4-ene-3,17-dione, also known as 19-haed, 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, 19-hydroxyandrost-4-ene-3,17-dione is considered to be a steroid lipid molecule. 19-hydroxyandrost-4-ene-3,17-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-hydroxyandrost-4-ene-3,17-dione can be found in a number of food items such as red huckleberry, chinese chestnut, mustard spinach, and komatsuna, which makes 19-hydroxyandrost-4-ene-3,17-dione a potential biomarker for the consumption of these food products. 19-hydroxyandrost-4-ene-3,17-dione can be found primarily in blood, as well as in human placenta and testes tissues. In humans, 19-hydroxyandrost-4-ene-3,17-dione is involved in a couple of metabolic pathways, which include androgen and estrogen metabolism and androstenedione metabolism. 19-hydroxyandrost-4-ene-3,17-dione is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. Moreover, 19-hydroxyandrost-4-ene-3,17-dione is found to be associated with cushings Syndrome. 19-Hydroxyandrost-4-ene-3,17-dione is a substrate for Corticotropin-lipotropin and Cytochrome P450 19A1. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Oxotestosterone
19-oxotestosterone, also known as 19-aldehyde-testosterone, 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. 19-oxotestosterone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-oxotestosterone can be found in a number of food items such as tree fern, italian sweet red pepper, anise, and atlantic herring, which makes 19-oxotestosterone a potential biomarker for the consumption of these food products. 19-oxotestosterone can be found primarily throughout most human tissues. In humans, 19-oxotestosterone is involved in the androgen and estrogen metabolism. 19-oxotestosterone is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. 19-Oxotestosterone is catalyzed by Aromatase (EC 1.14.14.1),also called estrogen synthetase (a cytochrome P450 enzyme which catalyzes the formation of aromatic C18 estrogens from C19 androgens; it is symbolized CYP19) into oestrogens via sequential oxidations at the 19-methyl group. Biosynthesis of estrogens from C19 steroids is catalyzed by aromatase and its tissue-specific expression is determined at least in part by alternative use of tissue-specific promoters, which give rise to transcripts with unique 5-prime noncoding termini.(OMIM 107910).
7a-Hydroxyandrost-4-ene-3,17-dione
7alpha-Hydroxyandrost-4-ene-3,17-dione is an intermediate in androgen and estrogen metabolism. More specifically, it is an intermediate during the conversion of androst-4-ene-3,17-dione to testosterone or vice versa. [HMDB] 7alpha-Hydroxyandrost-4-ene-3,17-dione is an intermediate in androgen and estrogen metabolism. More specifically, it is an intermediate during the conversion of androst-4-ene-3,17-dione to testosterone or vice versa. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Emedastine
Emedastine is only found in individuals that have used or taken this drug. It is an antihistamine used in eye drops to treat allergic conjunctivitis. [Wikipedia]Emedastine is a relatively selective, histamine H1 antagonist. In vitro examinations of emedastines affinity for histamine receptors demonstrate relative selectivity for the H1 histamine receptor. In vivo studies have shown concentration-dependent inhibition of histamine-stimulated vascular permeability in the conjunctiva following topical ocular administration. Emedastine appears to be devoid of effects on adrenergic, dopaminergic and serotonin receptors. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Emedastine is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3].
Oryzalexin A
Oryzalexin a, also known as 3a,7-oxo-ent-sandaracopimaradiene, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Oryzalexin a is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Oryzalexin a can be found in rice, which makes oryzalexin a a potential biomarker for the consumption of this food product.
Levopimaric acid
Origin: Plant; SubCategory_DNP: Diterpenoids, Pimarine diterpenoids
Stenbolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
3-Methoxy-17-epiestriol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03G - Gonadotropins and other ovulation stimulants > G03GB - Ovulation stimulants, synthetic D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen Same as: D04021
1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol
ST 19:3;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2815
11b-Hydroxyandrost-4-ene-3,17-dione
11beta-Hydroxyandrost-4-ene-3,17-dione is an intermediate in adrenosterone production. 11beta-Hydroxyandrost-4-ene-3,17-dione is produced from androst-4-ene-3,17-dione, a reaction catalyzed by the enzyme cytochrome P450 B [EC:1.14.15.4]. 11beta-Hydroxyandrost-4-ene-3,17-dione is then converted into adrenosterone by the enzyme 11beta-hydroxysteroid dehydrogenase [EC:1.1.1.146]. 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
Ginsenoyne H
Ginsenoyne H is found in tea. Ginsenoyne H is isolated from ginseng. Isolated from ginseng. Ginsenoyne H is found in tea.
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is found in root vegetables. (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is a constituent of Daucus carota (carrot) Constituent of Daucus carota (carrot). (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is found in root vegetables.
Yucalexin B'11
Yucalexin B11 is found in root vegetables. Yucalexin B11 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin B11 is found in root vegetables.
Falcarindiol 3-acetate
Falcarindiol 3-acetate is found in root vegetables. Falcarindiol 3-acetate is a constituent of carrots Daucus carota. Constituent of carrots Daucus carota. Falcarindiol 3-acetate is found in root vegetables.
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices.
[8]-Dehydroshogaol
[8]-Dehydroshogaol is found in herbs and spices. [8]-Dehydroshogaol is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [8]-Dehydroshogaol is found in herbs and spices.
xi-7-Hydroxyhexadecanedioic acid
xi-7-Hydroxyhexadecanedioic acid is found in fruits. xi-7-Hydroxyhexadecanedioic acid is a constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. Constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. xi-7-Hydroxyhexadecanedioic acid is found in fruits and garden tomato.
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables. 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables.
Acetylpanaxydol
Acetylpanaxydol is found in tea. Acetylpanaxydol is a constituent of Panax quinquefolium (American ginseng). Constituent of Panax quinquefolium (American ginseng). Acetylpanaxydol is found in tea.
xi-8-Hydroxyhexadecanedioic acid
xi-8-Hydroxyhexadecanedioic acid is found in fruits. xi-8-Hydroxyhexadecanedioic acid is a constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. Constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. xi-8-Hydroxyhexadecanedioic acid is found in fruits and garden tomato.
Lysylarginine
Lysylarginine is a dipeptide composed of lysine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Arginyllysine
Arginyllysine is a dipeptide composed of arginine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2-Hydroxyestradiol-3-methyl ether
2-Hydroxyestradiol-3-methylether is a methoxylated derivative of 2-hydroxyestradiol. 2-hydroxy estrogen metabolites can be converted to anticarcinogenic methoxylated metabolites (2-methoxyestrone and 2-methoxyestradiol, 2-hydroxyestrone and 2-hydroxyestradiol 3-methyl ether) by catechol O-methyltransferase (PMID: 11172156). 2-hydroxyestradiol 3-methyl ether has been found in the urine of pregnant women (along with other 2-hydroxyestrogen ethers) although the amounts are generally small (less than 5 ug/24 hours). (PMID: 966757).
4-Methoxy-17beta-estradiol
4-Methoxy-17beta-estradiol, also known as 4-methoxyestradiol or 4-ME2, is a member of the class of compounds known as estrogens and derivatives. These compounds are steroids with a structure containing a 3-hydroxylated estrane. 4-Methoxy-17beta-estradiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-Methoxy-17beta-estradiol can be synthesized from 17beta-estradiol. 4-Methoxy-17beta-estradiol can also be synthesized into 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide). 2-Methoxyestradiol belongs to the family of drugs called angiogenesis inhibitors. It also acts as a vasodilator. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-Androsten-4-ol-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(8R,9R,10S,11S,13R,14R)-11-Hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
11-Ketotestosterone
2-Methoxy-17alpha-estradiol
(8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione
4-Methoxy-17alpha-estradiol
7-Keto-dehydroepiandrosterone
DL-Valine-4-antipyrineamide
EPIMESTROL
Gemcabene
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent Gemcabene (PD-72953), a first-in-class lipid-lowering agent, lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C) and lowers pro-inflammatory acute-phase protein, C-reactive protein (CRP), exerting anti-inflammatory activity[1][2][3].
(8R,9S,13S,14S,17S)-13-Methyl-3-methylperoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
(8S,9R,10R,13S,14S)-11-Hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
[4aS-(4aalpha,5alpha,6alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-propenoic acid
2-(3,3-Dimethylallyl)-4-(1-angeloyloxyethyl)-anisole
4-Androsten-4-ol-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(5R,10S)-12-Hydroxy-11-methoxy-13-methylpodocarpa-1,11,13-trien-3-one|Drypetenone C
1-Ac-(all-E)-2,9-Heptadecadiene-4,6-diyne-1,8-diol
17alpha-hydroxymethylestra-1,3,5(10)-triene-3,17-diol
(3R,4R)-methyl 4-(((2R,4R,5R)-4-ethyltetrahydro-5-methoxy-2-methylfuran-2-yl)methyl)-3-hydroxyhexanoate|plakortether G
Methyl 8-oxo-octadec-17-en-9,11-diynoat|Methyl-8-oxooctadeca-9,11-diyn-17-enoat
caribenol A
A terpene lactone that is 3,4,5,5a,6,7,7a,10,10a,10b-decahydro-2H-1-oxabenzo[cd]cyclopenta[h]azulen-2-one substituted by a hydroxy group at position 10b and methyl groups at positions 3, 6, 9 and 10a. It is isolated from the West Indian gorgonian octocoral Pseudopterogorgia elisabethae and exhibits antitubercular and antimalarial activity.
2alpha,17-dihydroxy-19-norisopimara-4(18),8(14),15-triene-7-one
3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid methyl ester
2-Methylpropenoyl-(3beta, 10betaH)-Furanoeremophilan-3-ol
m-geranyl-p-methoxybenzoic acid methyl ester|methyl 3-(3,7-dimethyl-2,6-octadienyl)-4-methoxybenzoate
3-Me ether-(15beta,17beta)-Estra-1,3,5(10)-triene-3,15,17-triol
(4R,6R)-6[2(2,6(R)-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-4-hydroxytetrahydropyran-2-one|monacophenyl
7alpha,20-epoxy-3alpha-hydroxy-12-methoxy-13-methyl-ent-podocarp-8,11,13-triene
2,5-dihydroxy-3-(3-methyl-2-butenyl)-6-heptenyl-benzaldehyde
3alpha,20-epoxy-3beta-hydroxy-12-methoxy-13-methyl-ent-podocarp-8,11,13-triene
3alpha-hydroxy-13-hydroxymethyl-12-methoxy-ent-podocarp-6,8,11,13-tetraene
(3S,6R,6aS,7S,12aS,12bR)-1,3,4,6,6a,7,8,12,12a,12b-decahydro-3,6-dihydroxy-10,12b-dimethyl-7,11-methanocycloocta[a]naphthalen-9(2H)-one|neoveratrenone
(1aR,2E,4aR,6S,7S,7aR,9Z,11aS)-5,6,7,7a,11,11a-hexahydro-7-hydroxy-1,1,6,9-tetramethyl-1H-cyclopenta[a]cyclopropa[f] [11]annulene-4,8(1aH,4aH)-dione
1,1-Dimethyl-5,6-dihydroxy-7-isopropyl-1,2,3,4,4a,10a-hexahydrophenanthrene-9(10H)-one
3beta,12-dihydroxy-13-acetyl-8,11,13-podocarpatriene
(6Z,9Z,12Z,15Z)-(R)-4-methoxyoctadeca-2,6,9,12,15-pentaen-4-olide|homaxinolide B
3-hydroxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
17-acetyl-lycod-4-en-1-one|N-acetyl-Nor-N-methyl-alpha-obscurin
3-Methyl-2-pentenoyl-(3alpha, 10alphaH)-Furanoeremophilan-3-ol
(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Isotetrahydroauroglaucin
A member of the class of benzaldehydes that is benzaldehyde substituted by hydroxy groups at positions 3 and 6, a prenyl group at position 5 and a a hept-5-en-1-yl at position 2. Isolated from Chaetomium globosum and other fungal species, it exhibits radical scavenging activities.
1-[(4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-8-hydroxy-1-(hydroxymethyl)-1,4a-dimethylphenanthren-7-yl]ethanone|13-acetyl-14,15-dihydroxypodocarpa-8,11,13-triene
4-Dimethylamino-tritylamin|4-dimethylamino-tritylamine|alpha-Amino-4-dimethylamino-triphenylmethan
4-Hydroxy-5-isopropyl-2-(1,3,3-trimethyl-2-oxocyclohexyl)benzaldehyde
4-Epimer,4-hydroperoxide-4-Hydroxy-18-nor-8,11,13-abietatrien-7-one|4-hydroperoxy-19-norabieta-8,11,13-trien-7-one
1-acetyl-2,3-dihydrooenanthotoxin|trans.trans-1-Acetoxy-heptadecadien-(8.10)-diin-(4.6)-ol-(14)
2-Methoxyestradiol
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent 2-Methoxyestradiol (2-ME2), an orally active endogenous metabolite of 17β-estradiol (E2), is an apoptosis inducer and an angiogenesis inhibitor with potent antineoplastic activity. 2-Methoxyestradiol also destablize microtubules. 2-Methoxyestradio, also a potent superoxide dismutase (SOD) inhibitor and a ROS-generating agent, induces autophagy in the transformed cell line HEK293 and the cancer cell lines U87 and HeLa[1][2][3][4][5][6].
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
2-(E-3-heptneyl)-3, 6-dihydroxy-5-(3-methyl-2-butenyl) benzaldehyde
Esbiothrin
D010575 - Pesticides > D007306 - Insecticides > D000487 - Allethrins D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 2459
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based on: CCMSLIB00000848599]
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based: Match]
S-Bioallethrin
D010575 - Pesticides > D007306 - Insecticides > D000487 - Allethrins D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
D-trans-Allethrin
(+)-trans-(R)-allethrin
(-)-trans-allethrin
(-)-trans-(R)-allethrin
(-)-trans-(S)-allethrin
(+)-cis-allethrin
(+)-cis-(S)-allethrin
(-)-cis-allethrin
(-)-cis-(S)-allethrin
(-)-cis-(R)-allethrin
Formestane
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 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
Arg-lys
A dipeptide formed from L-arginyl and L-leucine residues.
Lys-arg
A dipeptide formed from L-lysine and L-arginine residues.
Benzyl 3-(((benzyloxy)carbonyl)amino)acrylate
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
Yucalexin B'11
R-allethrin
(+)-cis-(R)-allethrin
(5R,8R,9S,10R)-18-nor-cleroda-2,13-dien-16,15-olide-4-one
tert-butyl 4-(1H-indazol-5-yl)piperazine-1-carboxylate
(3-Cyano-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
2-PYRROLIDIN-1-YLMETHYL-PIPERIDINE-1-CARBOXYLICACIDBENZYLESTER
tert-butyl 2-benzyl-2,6-diazaspiro[3.4]octane-6-carboxylate
tert-Butyl 3-amino-2,3-dihydro-1h-spiro[indene-1,4-piperidine]-1-carboxylate
N-Cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
1,4-benzenediboronic acid bis(neopentyl glycol) ester
3-(1-benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-methyl-1h-indole
2-(2-Methylpiperidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-(3-Methylpiperidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-(4-Methylpiperidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
9-Hydroxyandrost-4-ene-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-, methyl ester,(1S,4aS,10aR)-
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
TERT-BUTYL 5-(BENZYLAMINO)-2-AZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE
pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanone
tert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
4-(4-Methyl-1-piperazinyl)benzeneboronic acid pinacol ester
tert-butyl 1H-spiro[isoquinoline-4,4-piperidine]-2(3H)-carboxylate
tert-butyl 4-(indolin-1-yl)piperidine-1-carboxylate
ethyl 2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-[tris(1-methylethyl)silyl]-
TERT-BUTYL 4-(IMIDAZO[1,2-A]PYRIDIN-5-YL)PIPERAZINE-1-CARBOXYLATE
tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
TERT-BUTYL 2,3-DIHYDRO-1H-SPIRO[ISOQUINOLINE-4,4-PIPERIDINE]-1-CARBOXYLATE
TERT-BUTYL 6-BENZYL-1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLATE
(S)-TERT-BUTYL (5-BENZYL-5-AZASPIRO[2.4]HEPTAN-7-YL)CARBAMATE
(8R,9S,13S,14S,17S)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
1-Cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
11β-Hydroxy-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
tert-Butyl 6-benzyl-2,6-diazaspiro[3.4]octane-2-carboxylate
tert-Butyl 4-(1H-indazol-3-yl)piperazine-1-carboxylate
ethyl 2-benzyl-5-methyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-7a-carboxylate
tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate
(3AR,6AS)-TERT-BUTYL6-BENZYLHEXAHYDROPYRROLO[2,3-B]PYRROLE-1(2H)-CARBOXYLATE
1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine monoacetate
2-Methyl-2-propanyl [(7R)-5-benzyl-5-azaspiro[2.4]hept-7-yl]carbamate
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-(phenylmethyl)-, methyl ester
4-(PIPERAZIN-1-YL)-2,6-DI-(PYRROLIDIN-1-YL)-PYRIMIDINE
Bioallethrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
6beta-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
(R)-3-Methyl-5-(((1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl)oxy)furan-2(5H)-one
11-Beta-hydroxyandrostenedione
11beta-Hydroxyandrost-4-ene-3,17-dione is an intermediate in adrenosterone production. 11beta-Hydroxyandrost-4-ene-3,17-dione is produced from androst-4-ene-3,17-dione, a reaction catalyzed by the enzyme cytochrome P450 B [EC:1.14.15.4]. 11beta-Hydroxyandrost-4-ene-3,17-dione is then converted into adrenosterone by the enzyme 11beta-hydroxysteroid dehydrogenase [EC:1.1.1.146]. [HMDB] 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
7-Keto-dehydroepiandrosterone
(8S,9R,10R,13S,14S)-11-Hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
(8R,9S,13S,14S,17S)-13-Methyl-3-methylperoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
[3-carboxy-2-[(Z)-3-hydroxyoct-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-2-hydroxyoct-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-hydroxyoct-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxyoct-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-2-hydroxyoct-4-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(5-oxooctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-oxooctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-oxooctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-oxooctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-oxooctanoyloxy)propyl]-trimethylazanium
7-Keto-dehydroepiandrosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-Methoxyestriol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Trigoheteric acid methyl ester, (rel)-
A natural product found in Trigonostemon heterophyllus.
3,17-Dihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one
(16R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
N-(4-methylcyclohexyl)-1-(2-pyrazinyl)-4-piperidinecarboxamide
6-de(cyclopropylamino)-6-(S-sec-butylamino)abacavir
(8R,9R,13S,14S,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
emedastine
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Emedastine is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3].
19-Hydroxy-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11beta-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
16alpha-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7alpha-hydroxyandrost-4-ene-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2-Hydroxyestradiol-3-methyl ether
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-Methoxy-17beta-estradiol
A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 4 has been replaced by a methoxy group.
8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
10,13-Dimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,4,17-trione
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate
7-ketodehydroepiandrosterone
A 3beta-hydroxy-Delta(5)-steroid that is dehydroepiandrosterone carrying an additional oxo group at position 7.
3,17-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
A seco-androstane that is 9,10-secoandrostane which is substituted by hydroxy groups at position 3 and 17 and an oxo group at position 9 and in which the A-ring is aromatic.
11-Oxotestosterone
A 3-oxo Delta(4)-steroid that is testosterone carrying an additional oxo substituent at position 11.
2-Hydroxyestradiol 3-methyl ether
A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 2 has been replaced by a hydroxy group and the phenolic hydrogen at position 3 has bee replaced by a methyl group.
RO-3
RO-3 is a potent, CNS-penetrant, and orally active P2X3 and P2X2/3 antagonist with pIC50s of 5.9 and 7.0 for human homomultimeric P2X3 and heteromultimeric P2X2/3 receptors, respectively. RO-3 shows selectivity for P2X3 and P2X2/3 over all other functional homomultimeric P2X receptors (IC50 >10?μM at P2X1,2,4,5,7)[1].
2-methyl-4-(4-methyl-5-oxo-2h-furan-2-yl)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-enal
(4br,7r,8ar,9s)-7-ethenyl-1,4b,7-trimethyl-5,6,8,8a,9,10-hexahydrophenanthrene-2,3,9-triol
(5s)-5-methoxy-5-[(11e)-tetradeca-2,5,8,11-tetraen-1-yl]furan-2-one
(1s)-1-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]ethyl (2z)-2-methylbut-2-enoate
3,4a,5-trimethyl-4-(2-methylpropoxy)-4h,5h,6h,7h-naphtho[2,3-b]furan-9-one
2,9,10-trihydroxy-6,6-dimethyl-5-methylideneundecyl acetate
8-isopropyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7(12),8,10-trien-9-ol
1-[(1s,9r,10s,16s)-5-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),5-dien-14-yl]ethanone
(4ar,10as)-4a,6-dihydroxy-7-isopropyl-1,1-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(3s,8s,9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl acetate
(6as,9s)-9-ethenyl-6,6,9-trimethyl-5h,6ah,7h,8h-indeno[2,1-b]indole-10-carbonitrile
9-ethenyl-6,6,9-trimethyl-5h,6ah,7h,8h-indeno[2,1-b]indole-10-carbonitrile
6-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-7,12-dione
2-(hept-1-en-1-yl)-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde
(2r)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1h-indole-5-carboximidic acid
(5r)-5-methoxy-5-(tetradeca-2,5,8,11-tetraen-1-yl)furan-2-one
(3s,3as,9ar,9br)-3,6,9-trimethyl-3-(2-methylpropyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(1s,2r)-2-ethenyl-2,8,8-trimethyl-1,3,4,5,6,7-hexahydrophenanthrene-1,9,10-triol
2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1h-indole-5-carboximidic acid
(1r,2s,8ar)-1-isopropyl-4,7-dimethyl-6-oxo-2,3,5,8a-tetrahydro-1h-naphthalen-2-yl (2e)-but-2-enoate
8-[(2r,3s)-3-(hept-6-en-1-yl)oxiran-2-yl]octa-4,6-diyn-3-yl acetate
2-nonyl-tetrahydro-2h-cyclopenta[b]furan-3,3a,4,6a-tetrol
4-amino-3-[(2e,6z)-8-hydroxy-3,6,7-trimethylocta-2,6-dien-1-yl]benzamide
(8r,9e,15s)-15-hydroxyheptadeca-9,16-dien-11,13-diyn-8-yl acetate
3,15-dihydroxy-18-norabieta-3,8,11,13-tetraene
{"Ingredient_id": "HBIN006933","Ingredient_name": "3,15-dihydroxy-18-norabieta-3,8,11,13-tetraene","Alias": "NA","Ingredient_formula": "C19H26O3","Ingredient_Smile": "CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6048","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3S,9R,10S)-3-Acetoxy-9,10-epoxy-1-heptadecene-4,6-diyne
{"Ingredient_id": "HBIN009712","Ingredient_name": "(3S,9R,10S)-3-Acetoxy-9,10-epoxy-1-heptadecene-4,6-diyne","Alias": "NA","Ingredient_formula": "C19H26O3","Ingredient_Smile": "CCCCCCCC1C(O1)CC#CC#CC(C=C)OC(=O)C","Ingredient_weight": "302.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "479","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101341430","DrugBank_id": "NA"}
4-hydroxy-[2-trans-3',7'-dimethyl-octa-2',6'-dienyl]-6-methoxy-acetophenone
{"Ingredient_id": "HBIN010460","Ingredient_name": "4-hydroxy-[2-trans-3',7'-dimethyl-octa-2',6'-dienyl]-6-methoxy-acetophenone","Alias": "NA","Ingredient_formula": "C19H26O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15919","TCMID_id": "10773","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acanthoine
{"Ingredient_id": "HBIN014343","Ingredient_name": "acanthoine","Alias": "NA","Ingredient_formula": "C16H22N4O2","Ingredient_Smile": "COC1=C(C=C(C=C1)C=CC(C=CCN=CN)N=CN)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "81","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
