Exact Mass: 300.1725354
Exact Mass Matches: 300.1725354
Found 500 metabolites which its exact mass value is equals to given mass value 300.1725354,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tolvin
A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Mianserin hydrochloride (Org GB 94) is a H1 receptor inverse agonist and is a psychoactive agent of the tetracyclic antidepressant. Mianserin hydrochloride (Org GB 94) is a H1 receptor inverse agonist and is a psychoactive agent of the tetracyclic antidepressant.
Sugiol
Sugiol is an abietane diterpenoid that is ferruginol in which the methylene group para to the phenolic hydroxy group has been substituted by an oxo group. It has a role as a plant metabolite, an antiviral agent, an antineoplastic agent, an antioxidant and a radical scavenger. It is an abietane diterpenoid, a carbotricyclic compound, a meroterpenoid, a member of phenols and a cyclic terpene ketone. It is functionally related to a ferruginol. Sugiol is a natural product found in Austrocedrus chilensis, Libocedrus bidwillii, and other organisms with data available. An abietane diterpenoid that is ferruginol in which the methylene group para to the phenolic hydroxy group has been substituted by an oxo group.
2-Methoxyestrone
2-Methoxyestrone (or 2-ME1) 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-methoxyestrone is considered to be a steroid or steroid derivative. It is a by-product of estrone and 2-hydroxyestrone metabolism and has been detected in all mammals. More specifically, 2-methoxyestrone is an endogenous, naturally occurring methoxylated catechol estrogen and a metabolite of estrone that is formed by catechol O-methyltransferase via the intermediate 2-hydroxyestrone. 2-Methoxyestrone is part of the androgen and estrogen metabolic pathway. The acid ionization constant (pKa) of 2-methoxyestrone has been determined to be 10.81 (PMID: 516114). 2-Methoxyestrone can be metabolized to a sulfated derivative (2-methoxyestrone 3-sulfate) via steroid sulfotransferase (EC 2.8.2.15). It can also be glucuronidated to 2-methoxyestrone 3-glucuronide by UDP glucuronosyltransferase (EC 2.4.1.17). Unlike estrone but similarly to 2-hydroxyestrone and 2-methoxyestradiol, 2-methoxyestrone has very low affinity for the estrogen receptor and lacks significant estrogenic activity (PMID: 10865186). 2-methoxyestrone is a steroid derivative that is a byproduct of estrone and 2-hydroxyestrone metabolism. It is part of the androgen and estrogen metabolic pathway. The acid ionization constant (pKa) of 2-methoxyestrone is 10.81 (PMID: 516114). 2-Methoxyestrone can be metabolized to a sulfated derivative (2-Methoxyestrone 3-sulfate) via steroid sulfotransferase (EC 2.8.2.15). It can also be glucuronidated to 2-Methoxyestrone 3-glucuronide by UDP glucuronosyltransferase (EC 2.4.1.17). [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 2-Methoxyestrone is a methoxylated catechol estrogen and metabolite of estrone, with a pKa of 10.81.
all-trans-Retinoic acid
all-trans-Retinoic acid is an isomer of retinoic acid, the oxidized form of vitamin A. Retinoic acid functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately controls anterior/posterior patterning in early developmental stages (PMID:17495912). It is an important regulator of gene expression during growth and development, and in neoplasms. As a drug, all-trans-retinoic acid is known as tretinoin. Tretinoin is derived from maternal vitamin A and is essential for normal growth and embryonic development. An excess of tretinoin can be teratogenic. Tretinoin is used in the treatment of psoriasis, acne vulgaris, and several other skin diseases. It has also been approved for use in promyelocytic leukemia (leukemia, promyelocytic, acute). Retinoic acid is the oxidized form of Vitamin A. It functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately controls anterior/posterior patterning in early developmental stages (PMID: 17495912). It is an important regulator of gene expression during growth and development, and in neoplasms. Tretinoin, also known as retinoic acid and derived from maternal vitamin A, is essential for normal growth and embryonic development. An excess of tretinoin can be teratogenic. It is used in the treatment of psoriasis; acne vulgaris; and several other skin diseases. It has also been approved for use in promyelocytic leukemia (leukemia, promyelocytic, acute). [HMDB] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XF - Retinoids for cancer treatment D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent Acquisition and generation of the data is financially supported in part by CREST/JST. C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents D000970 - Antineoplastic Agents Retinoic acid is a metabolite of vitamin A that plays important roles in cell growth, differentiation, and organogenesis. Retinoic acid is a natural agonist of RAR nuclear receptors, with IC50s of 14 nM for RARα/β/γ. Retinoic acid bind to PPARβ/δ with Kd of 17 nM. Retinoic acid acts as an inhibitor of transcription factor Nrf2 through activation of retinoic acid receptor alpha. Retinoic acid is a metabolite of vitamin A that plays important roles in cell growth, differentiation, and organogenesis. Retinoic acid is a natural agonist of RAR nuclear receptors, with IC50s of 14 nM for RARα/β/γ. Retinoic acid bind to PPARβ/δ with Kd of 17 nM. Retinoic acid acts as an inhibitor of transcription factor Nrf2 through activation of retinoic acid receptor alpha. Retinoic acid is a metabolite of vitamin A that plays important roles in cell growth, differentiation, and organogenesis. Retinoic acid is a natural agonist of RAR nuclear receptors, with IC50s of 14 nM for RARα/β/γ. Retinoic acid bind to PPARβ/δ with Kd of 17 nM. Retinoic acid acts as an inhibitor of transcription factor Nrf2 through activation of retinoic acid receptor alpha.
Adrenosterone
Adrenosterone is a steroid hormone with weak androgenic effect. It was first isolated in 1936 from the adrenal cortex by Tadeus Reichstein at the Pharmaceutical Institute in the University of Basel. Originally, adrenosterone was called Reichsteins substance G.(Wikipedia). Andrenosterone is created from androst-4-ene-3,17-dione by the work of two enzymes, CYP11B (E1.14.15.4) and 11beta-hydroxysteroid dehydrogenase [EC:1.1.1.146]. Adrenosterone is a steroid hormone with weak androgenic effect. It was first isolated in 1936 from the adrenal cortex by Tadeus Reichstein at the Pharmaceutical Institute in the University of Basel. Originally, adrenosterone was called Reichsteins substance G. Adrenosterone ((+)-Adrenosterone) is a competitive hydroxysteroid (11-beta) dehydrogenase 1 (HSD11β1) inhibitor. Adrenosterone is a steroid hormone with weak androgenic effect. Adrenosterone is a dietary supplement that can decrease fat and increase muscle mass. Adrenosterone acts as a suppressor of metastatic progression of human cancer cells[1][2][3].
Dehydroabietic acid
Dehydroabietic acid belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Dehydroabietic acid possesses antiviral activity[1]. Dehydroabietic acid possesses antiviral activity[1].
4-Oxoretinol
4-oxo-retinol, a metabolite of retinol synthesized in mouse embryonal carcinoma F9 cells,is active in inducing differentiation of these cells. It also functions as a ligand of retinoic acid receptors and a transcriptional activator of reporter. genes.[PMID: 9110564]. 4-Oxoretinol is a metabolite of retinol in the human promyelocytic leukemia cell line NB4 which induces cell growth arrest and granulocytic differentiation.[PMID: 9581846]. 4-oxo-retinol, a metabolite of retinol synthesized in mouse embryonal carcinoma F9 cells,is active in inducing differentiation of these cells. It also functions as a ligand of retinoic acid receptors and a transcriptional activator of reporter D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Testolactone
Testolactone is only found in individuals that have used or taken this drug. It is an antineoplastic agent that is a derivative of progesterone and used to treat advanced breast cancer. [PubChem]Although the precise mechanism by which testolactone produces its clinical antineoplastic effects has not been established, its principal action is reported to be inhibition of steroid aromatase activity and consequent reduction in estrone synthesis from adrenal androstenedione, the major source of estrogen in postmenopausal women. Based on in vitro studies, the aromatase inhibition may be noncompetitive and irreversible. This phenomenon may account for the persistence of testolactones effect on estrogen synthesis after drug withdrawal. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
19-Oxoandrost-4-ene-3,17-dione
19-Oxoandrost-4-ene-3,17-dione is an intermediate in Androgen and estrogen metabolism. 19-Oxoandrost-4-ene-3,17-dione is the 4th to last step in the synthesis of 2-Methoxyestrone 3-glucuronide. It is generated from 19-Hydroxyandrost-4-ene-3,17-dione and then converted to Estrone. [HMDB] 19-Oxoandrost-4-ene-3,17-dione is an intermediate in Androgen and estrogen metabolism. 19-Oxoandrost-4-ene-3,17-dione is the 4th to last step in the synthesis of 2-Methoxyestrone 3-glucuronide. It is generated from 19-Hydroxyandrost-4-ene-3,17-dione and then converted to Estrone. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Norprogesterone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
17alpha-Ethynylestr-5(10)-ene-3alpha,17beta-diol
alpha,alpha-diethyl-3,4,3,4-stilbenetetraol
17alpha-Methyl-6,7-dehydrotestosterone
Prallethrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
Bifenazate
Bifenazate is a carbazate acaricide that control 100\% of mites at a concentration of 25 ppm[1]. Bifenazate is a positive allosteric modulator of GABA receptor[2].
(+)-3-Hydroxylarreatricin
An antiviral lignan isolated from Larrea tridentata, which consists of a 3,4-dimethyltetrahydrofuran skeleton substituted by a dihydroxybenzyl and hydroxyphenyl groups at position 2 and 5 respectively (the 2R,3S,4R,5R stereoisomer).
dapdiamide A
A member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
9-cis-Retinoic acid
9-cis-Retinoic acid is an active retinoid that regulates expression of retinoid responsive genes, serving as a ligand for two classes of ligand-dependent transcription factors: the retinoic acid receptors and retinoid X receptors. Retinoids (vitamin A and its analogs) are essential dietary substances that are needed by mammals for reproduction, normal embryogenesis, growth, vision, and maintaining normal cellular differentiation and the integrity of the immune system. Within cells, retinoids regulate gene transcription acting through ligand-dependent transcription factors, the retinoic acid receptors (RARs), and the retinoid X receptors (RXRs). all-trans-Retinoic acid binds only to RARs with high affinity, whereas its 9-cis isomer binds with high affinity to both RARs and RXRs. The actions of all-trans- and 9-cis-retinoic acid in regulating cellular responses are distinct and not interchangeable (PMID: 9115228). Isolated from pancreas of pig and cow. Digestive enzyme. It is used in replacement therapy. It is used to prepare protein hydrolysates for pre- and post-operative diets D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XF - Retinoids for cancer treatment C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D000970 - Antineoplastic Agents D003879 - Dermatologic Agents Same as: D02815
13-cis-Retinoic acid
13-cis-Retinoic acid is a topical dermatologic agent that is used in the treatment of acne vulgaris and several other skin diseases. The drug has teratogenic and other adverse effects (PubChem). 13-cis-Retinoic acid is also a naturally occurring retinoid that is present in the circulation. Although 13-cis-retinoic acid (isotretinoin) does not have the potent gene regulatory activity of other isomers, it is an effective pharmacologic agent for treating a variety of dermatologic conditions (PMID:11606944). The steric conversion of 13-cis-retinoic acid (13-cRA) to all-trans-retinoic acid (t-RA) has been proposed as an activation mechanism for the observed therapeutic and teratogenic activities of 13-cRA (PMID:9806904). 13-cis Retinoic acid exerts its specific activity on human sebocytes through selective intracellular isomerization to all-trans retinoic acid and binding to retinoid acid receptors (PMID:10951254). A topical dermatologic agent that is used in the treatment of acne vulgaris and several other skin diseases. The drug has teratogenic and other adverse effects. (PubChem) D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne D - Dermatologicals > D10 - Anti-acne preparations > D10B - Anti-acne preparations for systemic use > D10BA - Retinoids for treatment of acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D009676 - Noxae > D013723 - Teratogens D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Apo-15-zeaxanthinal
Apo-15-zeaxanthinal, also known as (-)-(R)-all-trans-3-hydroxyretinal, is a member of the class of compounds known as retinoids. Retinoids are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Thus, apo-15-zeaxanthinal is considered to be an isoprenoid lipid molecule. Apo-15-zeaxanthinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-15-zeaxanthinal can be found in a number of food items such as red bell pepper, pepper (c. annuum), green bell pepper, and italian sweet red pepper, which makes apo-15-zeaxanthinal a potential biomarker for the consumption of these food products.
(3S)-all-trans-3-hydroxyretinal
(3S)-11-cis-3-hydroxyretinal
Sageone
Sageone is a diterpenoid. Sageone is a natural product found in Salvia pachyphylla, Salvia, and other organisms with data available. Constituent of Salvia officinalis (sage). Sageone is found in tea, herbs and spices, and common sage. Sageone is found in common sage. Sageone is a constituent of Salvia officinalis (sage).
Chlorcyclizine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Chlorcyclizine is a first-generation piperazine H1-antihistamine.
Metandienone
Methandrostenolone (trade names Averbol, Dianabol, Danabol), also known as metandienone (INN) or methandienone, is an orally-effective anabolic steroid originally developed in Germany and released in the US in the early 1960s by Ciba Specialty Chemicals. Methandrostenolone is a controlled substance in the United States and Western Europe, but remains popular among bodybuilders. Consequently, it can be found on the United States black market. However, methandrostenolone is readily available without a prescription in countries such as Mexico (under the trade name Reforvit-b), and is also being manufactured in Asia and many East European countries. D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AE - Androgens for topical use A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AA - Androstan derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils. 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils and herbs and spices.
Sugiol
Sugiol is found in fruits. Sugiol is a constituent of Juniperus communis (juniper). Constituent of Juniperus communis (juniper). Sugiol is found in fruits.
Ginsenoyne F
Ginsenoyne F is found in tea. Ginsenoyne F is isolated from ginseng. Isolated from ginseng. Ginsenoyne F is found in tea.
Myrigalone A
Myrigalone A is found in herbs and spices. Myrigalone A is isolated from Myrica gale (bog myrtle). Isolated from Myrica gale (bog myrtle). Myrigalone A is found in herbs and spices.
Myrigalon B
Myrigalon B is found in herbs and spices. Myrigalon B is isolated from Myrica gale (bog myrtle). Isolated from Myrica gale (bog myrtle). Myrigalon B is found in herbs and spices.
Verimol C
Verimol C is found in fruits. Verimol C is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol C is found in fruits.
Yucalexin B7
Yucalexin B7 is found in root vegetables. Yucalexin B7 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin B7 is found in root vegetables.
Myrigalone E
Myrigalone E is found in herbs and spices. Myrigalone E is a constituent of Myrica gale (bog myrtle)
Yucalexin B16
Yucalexin B16 is found in root vegetables. Yucalexin B16 is a constituent of Manihot esculenta (cassava). Constituent of Manihot esculenta (cassava). Yucalexin B16 is found in root vegetables.
2-Hydroxy-3-methoxyestrone
2-Hydroxy-3-methoxyestrone is obtained after methylation of 2-Hydroxyestrone and is generally found in the urine as an excretion product. 2-hydroxyestrone is the result of the hydroxylation of estrone E1. The hydroxylation process helps to clear out E1 from the body. This is critical because higher lifetime exposure to estrogen has been found to increase cancer risks to the reproductive system, especially to the breast. However, 2-hydroxyestrone has a weak estrogenic activity and breast cancer risks are quite low in women with high urinary excretion of 2-hydroxyestrone. 2-Hydroxy-3-methoxyestrone levels in urine could be an indicator to help assess the risk factors for development of breast cancers. DG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
4-OH-Retinal
4-OH-Retinal is involved in the Vitamin A (retinol) metabolism pathway. In the reaction, retinal is oxidized at the c-4 position to form 4-OH-Retinal, a visual pigment chromophore. [HMDB] 4-OH-Retinal is involved in the Vitamin A (retinol) metabolism pathway. In the reaction, retinal is oxidized at the c-4 position to form 4-OH-Retinal, a visual pigment chromophore.
9,13-cis-Retinoic acid
9,13-cis-Retinoic acid belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Retinoids (vitamin A and its analogs) are essential dietary substances that are needed by mammals for reproduction, normal embryogenesis, growth, vision, and maintaining normal cellular differentiation and the integrity of the immune system. Within cells, retinoids regulate gene transcription acting through ligand-dependent transcription factors, the retinoic acid receptors (RARs), and the retinoid X receptors (RXRs). Tretinoin, also known as all-trans-retinoic acid (ATRA), is a naturally occurring derivative of vitamin A (retinol). Retinoids such as tretinoin are important regulators of cell reproduction, proliferation, and differentiation and are used to treat acne and photodamaged skin and to manage keratinization disorders such as ichthyosis and keratosis follicularis. Tretinoin also represents the class of anticancer drugs called differentiating agents and is used in the treatment of acute promyelocytic leukemia (APL). [HMDB] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XF - Retinoids for cancer treatment D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents D000970 - Antineoplastic Agents Retinoic acid is a metabolite of vitamin A that plays important roles in cell growth, differentiation, and organogenesis. Retinoic acid is a natural agonist of RAR nuclear receptors, with IC50s of 14 nM for RARα/β/γ. Retinoic acid bind to PPARβ/δ with Kd of 17 nM. Retinoic acid acts as an inhibitor of transcription factor Nrf2 through activation of retinoic acid receptor alpha. Retinoic acid is a metabolite of vitamin A that plays important roles in cell growth, differentiation, and organogenesis. Retinoic acid is a natural agonist of RAR nuclear receptors, with IC50s of 14 nM for RARα/β/γ. Retinoic acid bind to PPARβ/δ with Kd of 17 nM. Retinoic acid acts as an inhibitor of transcription factor Nrf2 through activation of retinoic acid receptor alpha. Retinoic acid is a metabolite of vitamin A that plays important roles in cell growth, differentiation, and organogenesis. Retinoic acid is a natural agonist of RAR nuclear receptors, with IC50s of 14 nM for RARα/β/γ. Retinoic acid bind to PPARβ/δ with Kd of 17 nM. Retinoic acid acts as an inhibitor of transcription factor Nrf2 through activation of retinoic acid receptor alpha.
ent-6,16-Kauradien-19-oic acid
ent-6,16-Kauradien-19-oic acid is found in fruits. ent-6,16-Kauradien-19-oic acid is produced by seed extracts of Cucurbita maxima. Production by seed extracts of Cucurbita maxima. ent-6,16-Kauradien-19-oic acid is found in fruits and japanese pumpkin.
Trilobinol
Trilobinol is found in herbs and spices. Trilobinol is isolated from Salvia triloba (Greek sage). Isolated from Salvia triloba (Greek sage). Trilobinol is found in tea and herbs and spices.
4-Methoxyestrone
Thyrotropin-releasing hormone (TRH), also called thyrotropin-releasing factor (TRF), thyroliberin or protirelin, is a tripeptide hormone that stimulates the release of thyroid-stimulating hormone and prolactin by the anterior pituitary. In humans, it also acts as a prolactin-releasing factor. It is also a neurotransmitter in the central nervous system. TRH is produced by the hypothalamus and travels across the median eminence to the pituitary via the hypophyseal portal system. In addition to the brain, TRH can also be detected in other areas of the body including the gastrointestinal system and pancreatic islets. Medical preparations of TRH are used in diagnostic tests of thyroid disorders and in acromegaly. [HMDB] This compound belongs to the family of Ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.
Desmethylclomipramine
desmethylclomipramine is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
19-Norprogesterone
3-(4-Carboxybenzylidene)-6-hydroxycamphor
3alpha-Hydroxynorethynodrel
Androst-4-ene-3,6,17-trione
Azapropazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
Ethynodiol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DC - Estren derivatives
(8S,9R,10R,13S,14S)-10,13-Dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
(1R,4As,10aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
5-[(3As,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N'-propylpentanehydrazide
19-oxoandrostenedione
19-oxoandrostenedione 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-oxoandrostenedione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-oxoandrostenedione can be found in a number of food items such as cassava, pepper (spice), durian, and common salsify, which makes 19-oxoandrostenedione a potential biomarker for the consumption of these food products.
2-trans,-6-trans-farnesyl monophosphate
2-trans,-6-trans-farnesyl monophosphate, also known as (2e,6e)-farnesyl phosphate or (2e,6e)-farnesol monophosphoric acid(2-), is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-trans,-6-trans-farnesyl monophosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 2-trans,-6-trans-farnesyl monophosphate can be found in a number of food items such as opium poppy, papaya, pepper (c. frutescens), and corn, which makes 2-trans,-6-trans-farnesyl monophosphate a potential biomarker for the consumption of these food products.
odorine
C18H24N2O2 (300.18376839999996)
Odorine is a natural product found in Aglaia elliptica, Aglaia odorata, and Aglaia argentea with data available.
3,6,9-Trimethyl-7-hydroxy-7-(2-oxopropyl)-2,3,7,8-tetrahydronaphtho[1,8-bc]pyran-8-one
3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
2-(1,5-Heptadienyl)-3,6-dihydroxy-5-(3-methyl-2-butenyl)benzaldehyde
2-(2,3-Epoxy-1-heptenyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Acetyl-Gln-Leu-amide
CASMI2013 Challenge_3 MS2 data; [MS1] MSJ00005 CASMI2013 Challenge_3 MS1 data; [MS2] MSJ00006
(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
(-)-S-18-hydroxyminquartynoic acid|(S)-17,18-dihydroxy-9,11,13,15-octadecatetraynoic acid|(S)-18-hydroxyminquartynoic acid
1-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]propane-1,2-diol
(2Z,4E)-3-methyl-5-(1,2,4-trihydroxy-2-hydroxymethyl-6,6-dimethylcyclohexyl)penta-2,4-dienoic acid|monaspilosuslin
1-[2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
debenzoyl-7-deoxo-1alpha,7alpha-dihydroxytashironin
Miltipolone
Miltipolone is a natural product found in Salvia miltiorrhiza with data available.
2-hydroxyandrosta-1,4-diene-3,16-dione|trichiliasterone B
Magnolignan A
3-[4-Hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol is a natural product found in Magnolia officinalis with data available.
8-Ac-(Z)-1,9,16-Heptadecatriene-4,6-diyne-3,8-diol|Dehydro-falcarindiol-8-acetat
1-Ac-(E,E,E)-2,8,10-Heptadecatriene-4,6-diyne-1,14-diol|17-acetoxy-heptadeca-7t,9t,15t-triene-11,13-diyn-4-ol|all-trans-1-Acetoxy-heptadecatrien-(2.8.10)-diin-(4.6)-ol-(14)|O1-acetyl-enanthotoxin|O1-acetyl-oenanthotoxin
3,4-Dihydro-5,7-dimethoxy-8-methyl-2-(4-hydroxyphenyl)-2H-1-benzopyran
5-methoxy-4-(4-hydroxy-3-methylbut-2-enyl)-[1,1-biphenyl]-3,4-diol|garcibiphenyl E
14-angeloyloxy-tetradeca-5c,10t,12t-trien-8-yn-1-al
12alpha-12-Hydroxyandrosta-1,4-diene-3,17-dione|12alpha-hydroxyandrosta-1,4-dien-3,17-dione
5-Acetyl-2-(2-hydroxyisopropyl)-7-(3-methyl-2-butenoyl)benzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-senecioylbenzofuran
(+)-(8S,8R)-4,4-dihydroxy-3-methoxylignan
A lignan that is 2,3-dimethylbutane substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 4 respectively. It has been isolated from the bark of Machilus robusta.
(2S)-5,4-dihydroxy-7-methoxy-6,8-dimethylflavane|cambodianin D
(2Z,10E)-9-hydroxyheptadeca-2,10,16-triene-4,6-diynyl acetate|asterynes B
3,5-bis-(3,3-dimethylallyl)-p-coumaric acid|3,5-bis-<3,3-dimethylallyl>-p-coumaric acid
(R)-5-methoxy-4-(2-hydroxy-3-methylbut-3-enyl)-[1,1-biphenyl]-3,4-diol|garcibiphenyl D
(2E,6S)-3-methyl-6-hydroxy-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl]-hex-2-enoaic acid methyl ester
Myrtenol-hydrogenphthalat|Myrtenylhydrophthalat|phthalic acid mono-pin-2-en-10-yl ester|Phthalsaeure-mono-mirtenylester|Phthalsaeure-mono-myrtenylester|Phthalsaeure-mono-pin-2-en-10-ylester
7-acetoxy-2-acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline
6-Hydroxy-4,5-didehydro-5,6-secoenryopsin-2-methylacrylat
3,5-Dihydroxy-5-heptyl-2,3,3a,5,5a,8-hexahydro-6H-1,4,7-trioxacyclopenta[c]pentalene-6-one
9alpha,11alpha,15S-Trihydroxy-2,3,4,5-tetra-nor-13-prostensaeure
2-hepta-1,5-dienyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
(S)-3-hydroxygarcibenzopyran|(S)-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylchroman-3-ol
1-Ac-(8E,15Z)-2,9,16-Heptadecatriene-4,6-diyne-1,11-diol
19-nor-3-hydroxyspongia-3,13(16),14-trien-2-one|3-Hydroxy-19-nor-3,13(16)-,14-spongiatrien-2-one
2-Pentyl-5-hydroxy-6-prenylbenzofuran-4-carbaldehyde
2-Hydroxy-oestron-3-methylether|2-Hydroxyestron-3-methylaether|2-Hydroxyestron-3-methylether
3-[2-(4-hydroxyphenyl)-3-hydroxymethyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
1,14-Diacetoxy-tetradecatrien-(2t,8t,10t)-diin-(4,6)|Di-Ac-2,8,10-Tetradecatriene-4,6-diyne-1,14-diol
1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
ent-15,16-epoxy-2-hydroxy-19-norbeyer-1,4-dien-3-one
(-)-tricholomenyn A|Tricholomenyn A|Tricholomenyne A|tricholomenyns A
Hydroxylupanine HCl
chlorcyclizine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 100 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3476
Tetracaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol
2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene
(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
2-Methoxyestrone
A 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group. 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 2-Methoxyestrone is a methoxylated catechol estrogen and metabolite of estrone, with a pKa of 10.81.
Adrenosterone
A 3-oxo Delta(4)-steroid that is androst-4-ene carrying three oxo-substituents at positions 3, 11 and 17. Adrenosterone ((+)-Adrenosterone) is a competitive hydroxysteroid (11-beta) dehydrogenase 1 (HSD11β1) inhibitor. Adrenosterone is a steroid hormone with weak androgenic effect. Adrenosterone is a dietary supplement that can decrease fat and increase muscle mass. Adrenosterone acts as a suppressor of metastatic progression of human cancer cells[1][2][3].
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol
5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
Testolactone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents SubCategory_DNP: : The sterols, Androstanes
2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene [IIN-based on: CCMSLIB00000847052]
2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene [IIN-based: Match]
diofenolan
CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4588; ORIGINAL_PRECURSOR_SCAN_NO 4585 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4608; ORIGINAL_PRECURSOR_SCAN_NO 4606 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4564; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4600; ORIGINAL_PRECURSOR_SCAN_NO 4597 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4589; ORIGINAL_PRECURSOR_SCAN_NO 4587 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4581; ORIGINAL_PRECURSOR_SCAN_NO 4576
(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one_major
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol_major
5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol_major
(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one_minor
(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one_5.9\\%
Ala Gly Gly Pro
Ala Pro Gly Gly
Gly Ala Gly Pro
Gly Ala Pro Gly
Gly Gly Ala Pro
Gly Gly Pro Ala
Gly Pro Gly Ala
Ergoline-8-methanol, 10-methoxy-1,6-dimethyl-
C18H24N2O2 (300.18376839999996)
5a,7a-Dihydroxy-11-ketotetranorprostanoic acid
methyl (E)-2-methyl-4-((3aS)-1-methyl-5-oxo-2,3,5,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-enoate
13,14-dihydro-15-keto-tetranor PGF1&beta
2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
Zinndiol: 1-[4,5-Bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methyl-2,3-butanediol
ST 19:4;O3
An androstanoid that is androst-4-en-19-al substituted by oxo groups at positions 3 and 17. 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 2-Methoxyestrone is a methoxylated catechol estrogen and metabolite of estrone, with a pKa of 10.81.
Teslac
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
(2-methyl-5-prop-2-ynyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
butyl prop-2-enoate,ethyl prop-2-enoate,prop-2-enoic acid
2-Hydroxymethyl-piperazine-1,4-dicarboxylic acid 4-allyl ester 1-tert-butyl ester
4-[6-(4-aminophenoxy)hexoxy]aniline
C18H24N2O2 (300.18376839999996)
1-BOC-4-(1-AMINO-2-ETHOXYCARBONYLETHYL)PIPERIDINE
C15H28N2O4 (300.20489680000003)
[2-(2-methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine hydrochloride
2-(8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)-N,N-dimethylethanamine
3-(4-BOC-AMINO-PIPERIDIN-1-YL)-2-METHYL-PROPIONICACIDMETHYLESTER
C15H28N2O4 (300.20489680000003)
3-(3-TERT-BUTOXYCARBONYLAMINO-PIPERIDIN-1-YL)-2-METHYL-PROPIONIC ACID METHYL ESTER
C15H28N2O4 (300.20489680000003)
trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
3-[1,1-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol
3-PHENYL-1-(PYRIDIN-2-YL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[C]PYRIDINE
(3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
4-(4-phenylphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
(4-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
3-[[(Tert-Butoxy)Carbonyl]Amino]-1-Piperidinecarboxylic Acid Tert-Butyl Ester
C15H28N2O4 (300.20489680000003)
1-[(4-CHLOROPHENYL)PHENYLMETHYL]HEXAHYDRO-1H-1,4-DIAZEPINE
1-Benzyl-2-amino-3-tert-butoxycarbonyl-4,5-dimethylpyrrole
C18H24N2O2 (300.18376839999996)
TERT-BUTYL 4-(2-TERT-BUTOXY-2-OXOETHYL)PIPERAZINE-1-CARBOXYLATE
C15H28N2O4 (300.20489680000003)
ETHYL 3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOXYLATE
C18H24N2O2 (300.18376839999996)
:(S)-2-Methyl-3-(2-propynyl)-4-oxocyclopent-2-enyl-(lR)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
4-(1H-Indol-1-yl)-1-Piperidinecarboxylic Acid Tert-Butyl Ester
C18H24N2O2 (300.18376839999996)
tert-butyl 4-(1H-indol-3-yl)piperidine-1-carboxylate
C18H24N2O2 (300.18376839999996)
Pirbuterol Acetate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Pirnabine
C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
4-ACETYLAMINO-2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXOAMMONIUM TETRAFLUOROBORATE
DMU-212
DMU-212 is a methylated derivative of Resveratrol (HY-16561), with antimitotic, anti-proliferative, antioxidant and apoptosis promoting activities. DMU-212 induces mitotic arrest via induction of apoptosis and activation of ERK1/2 protein. DMU-212 has orally active[1][2].
1-BOC-4-CYANO-4-(2-METHYLPHENYL)-PIPERIDINE
C18H24N2O2 (300.18376839999996)
methyl 4-[(2-butyl-5-formylimidazol-1-yl)methyl]benzoate
4-(4-Cyano-benzyl)-piperidine-1-carboxylic acid tert-butyl ester
C18H24N2O2 (300.18376839999996)
3-(TERT-BUTYL)-1-(MESITYLMETHYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
C18H24N2O2 (300.18376839999996)
trimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
3-[2-(Trimethylsilyl)ethynyl]benzeneboronic acid pinacol ester
Benzoic acid,2-hydroxy-, compd. with 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine (1:1)
2,2-[[4-[(4-aminophenyl)azo]phenyl]imino]bisethanol
Itasetron
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one
Estra-1,3,5(10)-trien-17-one, 2-hydroxy-3-methoxy-
4-[(4-Ethyl-1-piperazinyl)methyl]-5,7-dimethyl-1-benzopyran-2-one
C18H24N2O2 (300.18376839999996)
3-(1H-benzimidazol-2-yl)-N-(3-pyridinylmethyl)aniline
9,11-Epoxyandrost-4-ene-3,17-dione, (9beta,11beta)-
2-[2-(1H-Imidazol-1-yl)ethyl]-2,5,7,8-tetramethylchroman-6-ol
C18H24N2O2 (300.18376839999996)
3-Amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione
Azapropazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils. 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils and herbs and spices.
(8S,9R,10R,13S,14S)-10,13-Dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-4bH-1-oxa-chrysene-2,8-dione
(S)-N-methylcoclaurinium(1+)
The conjugate acid of (S)-N-methylcoclaurine; major species at pH 7.3.
Codeine(1+)
The conjugate acid of codeine arising from protonation of the tertiary amino group; major species at pH 7.3.
(2S)-2-[[(2S)-2-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-3-azaniumylpropanoyl]amino]-3-methylbutanoate
(8R,9S,13R,14S)-3-hydroxy-4-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
4-[(E)-(5-hydroxy-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzoic acid
5-[(3As,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-propylpentanehydrazide
[3-Carboxy-2-[3-(carboxymethyl)-2-methylidenebut-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2Z,5E)-3-hydroxyocta-2,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2Z,6E)-3-hydroxyocta-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3Z,6E)-3-hydroxyocta-3,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2Z,4E)-3-hydroxyocta-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-3-hydroxyocta-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3Z,5E)-3-hydroxyocta-3,5-dienoyl]oxypropyl]-trimethylazanium
4-benzoyl-2-heptyl-5-methyl-4H-pyrazol-3-one
C18H24N2O2 (300.18376839999996)
13,14-dihydro-15-keto-tetranor Prostaglandin F1beta
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
6-De(cyclopropylamino)-6-(2-methylazetidin-1-yl)abacavir
(5R,8R)-8-methyl-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(7S)-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
[(1R,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclohexylmethanone
C18H24N2O2 (300.18376839999996)
[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclohexylmethanone
C18H24N2O2 (300.18376839999996)
(4R,7S)-4-methyl-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7R)-4-methyl-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S)-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(7R)-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
[(1S,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclohexylmethanone
C18H24N2O2 (300.18376839999996)
[(1R,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclohexylmethanone
C18H24N2O2 (300.18376839999996)
1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidinium(1+)
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione
C18H24N2O2 (300.18376839999996)
2-(5-Acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-enyl 3-methylbut-2-enoate
N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-1-ium-6-amine
4-[(E)-1-hydroxy-3-phenylprop-2-enyl]-5-methoxy-2,6-dimethylbenzene-1,3-diol
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-1,3a,4,5,8,9-hexahydropyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate
[(3aS,4R,9S,10R,10aS)-2,6-diamino-9,10-dihydroxy-3a,4,5,8,9,10-hexahydro-1H-pyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate
1,1,3,3-Tetramethyl-1,2,3,4-tetrahydro-gamma-carboline-5-propionic acid
C18H24N2O2 (300.18376839999996)
alpha-(3,4-Dimethoxyphenyl)benzenepropanoic acid methyl ester
2-[Hydroxy-(2-hydroxy-3-propoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2beta-ol 3-(4-hydroxyphenyl)acrylate
(2E,6E)-farnesyl monophosphate(2-)
An organophosphate oxoanion that is the dianion obtained by removal of the two protons from the monophosphate group of (2E,6E)-farnesyl monophosphate. Major species at pH 7.3.
dapdiamide A zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide A; major species at pH 7.3.
4-Methoxyestrone
A 17-oxo steroid that is estrone in which the hydrogen at position 4 has been replaced by a methoxy group. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
methyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate
neopine(1+)
An ammonium ion derivative that is the conjugate acid of neopine arising from protonation of the tertiary amino group; major species at pH 7.3.
BIA 10-2474
BIA 10-2474 is an inhibitor of fatty acid amide hydrolase (FAAH) with IC50 values of 50 to 70mg/kg in various rat brain regions.