Exact Mass: 286.1468
Exact Mass Matches: 286.1468
Found 500 metabolites which its exact mass value is equals to given mass value 286.1468,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
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
Sativan
Sativan, also known as sativin or (-)-sativan, is a member of the class of compounds known as 4-o-methylated isoflavonoids. 4-o-methylated isoflavonoids are isoflavonoids with methoxy groups attached to the C4 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. Sativan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sativan can be found in pulses, which makes sativan a potential biomarker for the consumption of this food product. Sativan is found in pulses. Phytoalexin of Medicago species, Trifolium species and Trigonella specie
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
Sugiresinol
A norlignan that is an isomer of agatharesinol in which the dihydroxypentene side chain is cyclised.
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
Isosativan
Isosativan is a member of flavonoids and an ether. Isosativan is a natural product found in Trifolium with data available. Phytoalexin of Trifolium subspecies Isosativan is found in pulses. Isosativan is found in pulses. Phytoalexin of Trifolium species.
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
4'-Hydroxy-5,7-dimethoxyflavan
4-Hydroxy-5,7-dimethoxyflavan is a constituent of the pith of sago palm
Myrigalone G
Myrigalone G is found in herbs and spices. Myrigalone G is a constituent of the fruit of Myrica gale (bog myrtle). Constituent of the fruit of Myrica gale (bog myrtle). Myrigalone G is found in herbs and spices.
Myrigalone H
Myrigalone H is found in herbs and spices. Myrigalone H is a constituent of the fruit of Myrica gale (bog myrtle). D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics Constituent of the fruit of Myrica gale (bog myrtle). Myrigalone H is found in herbs and spices. D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
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].
4'-Hydroxy-3,4,5-trimethoxystilbene
4-Hydroxy-3,4,5-trimethoxystilbene is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-Hydroxy-3,5,4'-trimethoxystilbene
4-Hydroxy-3,5,4-trimethoxystilbene is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
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)
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
6-Ketoestradiol
Loureirin A
Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity.
N-[2-(3,5-Dioxopiperazino)propyl]-N-(2-amino-2-oxoethyl)glycine
3-(2-Butynyl)-5-methyl-2-(piperazin-1-yl)-3,5-dihydroimidazo[4,5-d]pyridazin-4-one
ZOLAZEPAM
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
LoureirinA
Loureirin A is a natural product found in Soymida febrifuga, Garcinia dulcis, and Dracaena cochinchinensis with data available. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity.
Loureirin
Loureirin A is a natural product found in Soymida febrifuga, Garcinia dulcis, and Dracaena cochinchinensis with data available. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity. Loureirin A is a flavonoid extracted from Dragon's Blood, can inhibit Akt phosphorylation, and has antiplatelet activity.
Methyl 2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-chromene-6-carboxylate
2-O-Methylangolensin
ZOLAZEPAM
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
3-(4-Ethoxyphenyl)-2-(morpholinocarbonyl)acrylonitrile
UNII:T875VN0D6E
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 300 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3383
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
(+)-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
(4aRS,9SR,10aSR)-1,3,4,9,10,10a-hexahydro-6-hydroxy-1,1-dimethyl-2H-9,4a-(epoxymethano)phenanthrene-7-carboxaldehyde|przewalskin F
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.
4-hydroxy-1-methyl-3-[(E)-benzylidene]-6-[(E)-isobutylidene]-2,5-piperazinedione|lansai C
6-methoxy-3-(2-hydroxy-1-ethoxyethyl)-beta-carboline
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
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
(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
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.
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
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].
tert-Butyl (piperidin-4-ylmethyl)carbamate dihydrochloride
(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
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
4-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid
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-(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
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
tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate
N-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepin-2-amine,hydrochloride
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
(2S,5S)-1-((S)-2-METHOXYCARBONYLAMINO)-3-METHYLBUTYRYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
(2S,3S,5R,6R)-5,6-Bis(azidoMethyl)-2,3-diMethoxy-2,3-diMethyl-1,4-dioxane
(4-fluorophenyl)(2-(piperazin-1-yl)pyrimidin-5-yl)methanone
2-ETHOXYCARBONYLMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(2S,3S)-diethyl 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
2-(1-BENZYL-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
3,4-dimethyl-2,6-dinitro-N-(2,2,3,4,4-pentadeuteriopentan-3-yl)aniline
2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinoline
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
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
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
3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole
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
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
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
2(3H)-Furanone, dihydro-3-((S)-hydroxyphenylmethyl)-4-((1-methyl-1H-im idazol-4-yl)methyl)-, (3S,4R)-
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
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
[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea
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
[(1S,4R)-4-[2-amino-6-(azetidin-1-yl)purin-9-yl]cyclopent-2-en-1-yl]methanol
5-Methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
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
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.
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.
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
(2e)-5-(6-methoxy-2,8-dimethylchromen-2-yl)-2-methylpent-2-enal
(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"}
