Exact Mass: 296.1536128
Exact Mass Matches: 296.1536128
Found 500 metabolites which its exact mass value is equals to given mass value 296.1536128,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Crocetindial
Crocetin dialdehyde is an apo carotenoid diterpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 8- and 8-positions. It is an enal, a dialdehyde and an apo carotenoid diterpenoid. Crocetin dialdehyde is a natural product found in Plectranthus barbatus with data available.
Exemestane
Exemestane is an oral steroidal aromatase inhibitor used in the adjuvant treatment of hormonally-responsive (also called hormone-receptor-positive, estrogen-responsive) breast cancer in postmenopausal women. It acts as a false substrate for the aromatase enzyme, and is processed to an intermediate that binds irreversibly to the active site of the enzyme causing its inactivation. L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist CONFIDENCE standard compound; EAWAG_UCHEM_ID 661 D000970 - Antineoplastic Agents
17a-Ethynylestradiol
Ethinyl estradiol. A semisynthetic alkylated estradiol with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in oral contraceptives. -- Pubchem; estradiol (17-beta estradiol) (also oestradiol) is a sex hormone. Labelled the "female" hormone but also present in males it represents the major estrogen in humans. Critical for sexual functioning, estradiol also supports bone growth. -- Wikipedia; One of the fascinating twists to mammalian sexual differentiation is that estradiol is one of the two active metabolites of testosterone in males (the other being dihydrotestosterone). estradiol cannot be transferred readily from the circulation into the brain. Since fetuses of both sexes are exposed to similarly high levels of maternal estradiol, it can play little role in prenatal sexual differentiation. However, testosterone enters the central nervous system more freely and significant amounts are aromatized to estradiol within the brain of most male mammals, including humans. There is now much evidence that the programming of adult male sexual behavior in "lower mammals," (such as mounting rather than lordosis behavior), is largely dependent on estradiol produced in the central nervous system during prenatal life and early infancy from testosterone. We do not yet know whether this process plays a minimal or significant part in human sexual behaviors. -- Wikipedia; A synthetic form of estradiol, called ethinyl estradiol is a major component of hormonal contraceptive devices. Combined oral contraceptives contain ethinyl estradiol and a progestin, which both contribute to the inhibition of GnRH, LH, and FSH. The inhibition of these hormones accounts for the ability of combined oral contraceptives or birth control pills to prevent ovulation and thus prevent pregnancy. Other types of hormonal birth control contain only progestins and no ethinyl estradiol. -- Wikipedia. A synthetic form of estradiol, called ethinyl estradiol is a major component of hormonal contraceptive devices. 17alpha-ethynylestradiol is found in many foods, some of which are common walnut, ginkgo nuts, allspice, and papaya. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens 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 D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Ethinylestradiol (Ethynyl estradiol) is a biologically active estrogen. Ethinylestradiol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Ethinylestradiol (Ethynyl estradiol) is a biologically active estrogen. Ethinylestradiol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Methdilazine
C18H20N2S (296.13471200000004)
Methdilazine is only found in individuals that have used or taken this drug. It is a phenothiazine compound with antihistaminic activity. It is used in the treatment of various dermatoses to relieve pruritus.Methdilazine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Ovalicin
Ovalicin is found in lettuce seeds. Found in lettuce seeds
(E)-Arachidin II
(Z)-Arachidin II is found in nuts. (Z)-Arachidin II is a constituent of peanuts (Arachis hypogaea). Constituent of peanuts (Arachis hypogaea). (E)-Arachidin II is found in peanut and nuts.
3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
Didemethylcitalopram
In humans, CITA is metabolized to demethylcitalopram (DCITA) by CYP2C19, CYP2D6, and CYP3A and to didemethylcitalopram by CYP2D6. (PMID: 19011672) The major metabolite of citalopram is demethylcitalopram, which is subsequently metabolized to the minor metabolite didemethylcitalopram (DDCT). (PMID: 22085614)
Cryptotanshinone
Cryptotanshinone is found in herbs and spices. Cryptotanshinone is isolated from Rosmarinus officinalis (rosemary Isolated from Rosmarinus officinalis (rosemary). Cryptotanshinone is found in herbs and spices. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol
Isolated from ground nuts incubated at 25°. 5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol is found in nuts. Arachidin III is found in nuts. Arachidin III is isolated from peanuts (Arachis hypogaea).
Methyl dihydrophaseate
Methyl dihydrophaseate is found in pulses. Methyl dihydrophaseate is isolated from French beans. Isolated from French beans. Methyl dihydrophaseate is found in pulses.
3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide
3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b,8a-Dihydroxy-6b-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.
Panaxydol chlorohydrin
Panaxydol chlorohydrin is found in tea. Panaxydol chlorohydrin is isolated from Korean ginseng root. Isolated from Korean ginseng root. Panaxydol chlorohydrin is found in tea.
Parakmerin A
Parakmerin A is found in herbs and spices. Parakmerin A is a constituent of the seed of Myristica fragrans (nutmeg). Constituent of the seed of Myristica fragrans (nutmeg). Parakmerin A is found in herbs and spices.
exo-Dehydrochalepin
exo-Dehydrochalepin is found in herbs and spices. exo-Dehydrochalepin is a constituent of Ruta graveolens (rue) roots. Constituent of Ruta graveolens (rue) roots. exo-Dehydrochalepin is found in herbs and spices.
6-allyl-8b-Carboxy-ergoline
6-allyl-8b-Carboxy-ergoline is a metabolite of cabergoline. Cabergoline (brand names Dostinex and Cabaser), an ergot derivative, is a potent dopamine receptor agonist on D2 receptors. In vitro, rat studies show cabergoline has a direct inhibitory effect on pituitary lactotroph cells. It is frequently used as a first-line agent in the management of prolactinomas due to higher affinity for D2 receptor sites, less severe side effects, and more convenient dosing schedule than the older bromocriptine. (Wikipedia)
Batelapine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
5E9SXT166N
Cryptotanshinone is an abietane diterpenoid. It has a role as an anticoronaviral agent. Cryptotanshinone is a natural product found in Acokanthera oppositifolia, Salvia miltiorrhiza, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol
Isolated from ground nuts incubated at 25°. 5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol is found in nuts. Arachidin III is found in nuts. Arachidin III is isolated from peanuts (Arachis hypogaea).
8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one
7,8-Dihydroxy-2,2-dimethyl-5-(2-phenylethyl)chromene
3beta-Hydroxy-5alpha-Hydroperoxycostic acid methyl ester
[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Propizepine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
C10-DATS (TENTATIVE)
C16H24O3S (296.14460740000004)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from HAL_N: mz295_14_rt16_23_HCD60_C10-DATS; CONFIDENCE Tentative identification: isomers possible (Level 3)
2-methoxy-3-(1,1-dimethylallyl)-6a,10a-dihydrobenzo (1,2-c)chroman-6-one
2-(1-Methylethenyl)-4-phenethyl-2,3-dihydrobenzofuran-6,7-diol
6S-acetyl-4R,5R-dimethyl-1R(10S)-epoxy-2R-hydroxy-7R-acetoxydecahydronaphthalene
1beta,10alpha-epoxy-4-methoxy-8-hydroxyglechomanolide
(-)-diospongin A|(-)-diospongin B|(3R,5S,7S)-1,7-diphenyl-3,7-epoxy-5-hydroxy-1-heptanone|1-phenyl-2-[(2R,4R,6S)-tetrahydro-4-hydroxy-6-phenyl-2H-pyran-2-yl]ethanone|2-((2R,4S,6S)-4-hydroxy-6-phenyl-tetrahydro-2H-pyran-2-yl)-1-phenylethanone|2-[(2R,4S,6S)-4-hydroxy-6-phenyltetrahydro-2H-pyran-2-yl]-1-phenylethanone|diospongin A|Diospongin B
8-Methyl-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquino[2,1-b][2,7]naphthyridin-2-ol
rugosic acid A methyl ester|rugosid acid A methyl ester
7alpha,10alpha-dihydroxy-1beta-methoxyeremophil-11(13)-en-12,8beta-olide
5-acetyloxy-3,9a-dihydroxy-9a-homomegastigma-6,7-dien-9-one
4beta,10beta-dihydroxy-1alpha-methoxy-5alpha,11alphaH-guaia-2-en-12,6alpha-olide
Me ester -(4alpha,6alpha,11xi)-4,6-Dihydroxy-9-oxo-7-eudesmen-12-oic acid
1-Oxomiltirone
1-Oxomiltirone is a natural product found in Salvinia molesta, Salvia, and other organisms with data available.
8beta,10beta-dihydroxy-6beta-methoxyeremophil-7(11)-en-12,8alpha-olide|8beta,10beta-dihydroxy-6beta-methoxyleremophilenolide|8??,10??-Dihydroxy-6??-methoxyeremophil-7(11)-en-12,8??-olide
7,8-Dihydroxy-2,2-dimethyl-5-(2-phenylethyl)-2H-1-benzopyran
1beta,10beta-epoxy-7beta-hydroxy-8alpha-methoxyeremophil-11alphaH-12,8beta-olide
(+)-kopsihainanine A|(1S,3R,4aR,11cS)-3,4,5,6,7,11c-hexahydro-3-hydroxy-1,4a-propano-4aH-pyrido[3,2-c]carbazol-2(1H)-one|kopsihainanine A
(1R*, 1aS*, 4R*, 7R*, 7aS*, 7b*, 5Z)-4,4a,7-trihydroxyaromadendr-5-en-8-oic acid methyl ester
(-)-(R)-4-hydroxyyashabushiketol|(3R)-3-hydroxy-1-phenyl-7-(4-hydroxyphenyl)-6E-hepten-5-one
10alpha,13-dihydroxy-1beta-methoxyeremophil-7(11)-en-12,8beta-olide
4,10-dihydroxy-8-methoxyguai-7(11)-en-8,12-olide|8-O-methylzedoarolide B
(4aR,5S,8R,8aS,9aS)-4a,5,6,7,8,8a,9,9a-octahydro-8,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|1beta,10beta-dihydroxy-8beta-methoxyeremophil-7(11)-en-12,8alpha-olide
(2R,3R)-5-allyl-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-methylbenzofuran|3?-methoxymiliumollin
(1R,4aS,5R,8aR)-1,2,3,4,4a,5,8,8a-octahydro-5-hydroxy-5-(hydroxymethyl)-1,4a,6-trimethyl-8-oxonaphthalene-1-carboxylic acid methyl ester|loxocalyxins B
rel-(2R,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-3-methyl-5-(E)-propenylbenzofuran
(E)-3-(3-methyl-2-butenyloxy)-4,5-dihydroxystilbene
12, 13-Dihydro, Ac-(3E, 6S, 7S, 9Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
(2R,3R)-5-allyl-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-3-methylbenzofuran|7-methoxymiliumollin
4beta,5beta-epoxy-3beta-hydroxy-10alpha-methoxy-11alphaH-guaia-1-en-12,6beta-olide
(2R,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-5-methoxy-3-methyl-7-propenylbenzofuran
8-Acetoxymethyl-6-methyl-8,9-didehydro-ergolin|8-acetoxymethyl-6-methyl-8,9-didehydro-ergoline|elymoclavine acetate|Elymodavine-acetate|O-acetyl-elymoclavine|O-Acetylelymoclavin
(2S)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-methylbutane-2,3-diol|lenisin A
2,8-Dimethyl-4-acetyl-7-methoxy-9,10-dihydrophenanthrene-3-ol
1beta,3beta,6alpha-trihydroxycostic acid methyl ester
methyl 1beta,2beta,6alpha-trihydroxy-5alpha,7alphaH-eudesma-4(15),11(13)-dien-12-oate
1,7-Bis(4-hydroxyphenyl)hept-6-en-3-on
(E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one is a diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a member of phenols and a ketone. 1,7-Bis(4-hydroxyphenyl)hept-6-en-3-one is a natural product found in Curcuma kwangsiensis and Curcuma comosa with data available. A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis.
Oxymetazoline hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
(E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
Cryptotanshinone
Origin: Plant, Organic chemicals, Polycyclic compounds, Phenanthrenes Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
Cyptotanshinone
Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
C19H20O3_3,9-Dimethyl-8-(3-methyl-2-buten-1-yl)dibenzo[b,d]furan-1,7-diol
C16H24O5_2-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,8-dihydroxy-alpha,4a,8-trimethyl-5-oxo-, methyl ester
C16H24O5_4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one
C16H24O5_Cyclohexaneacetic acid, 4-ethenyl-2,6-dihydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester
methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based on: CCMSLIB00000848120]
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based: Match]
4-(2,5-Diethoxy-4-nitrophenyl)morpholine
CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8955; ORIGINAL_PRECURSOR_SCAN_NO 8953 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8990; ORIGINAL_PRECURSOR_SCAN_NO 8988 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9000; ORIGINAL_PRECURSOR_SCAN_NO 8999 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9038; ORIGINAL_PRECURSOR_SCAN_NO 9036 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9042; ORIGINAL_PRECURSOR_SCAN_NO 9041 CONFIDENCE standard compound; INTERNAL_ID 474; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9060; ORIGINAL_PRECURSOR_SCAN_NO 9058
3,4',5-Trihydroxy-4-
Methyl dihydrophaseate
3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide
Methyl 2-[2,6-dihydroxy-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylate
5-tert-Butyl 1-ethyl 3-aminopyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate
C13H20N4O4 (296.14844800000003)
1-O-tert-butyl 4-O-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate
1-O-tert-butyl 3-O-ethyl 3-(cyanomethyl)piperidine-1,3-dicarboxylate
3-aminomethyl-2-cbz-1,2,3,4-tetrahydro-isoquinoline
3,5-di-tert-butyl-4-hydroxybenzenepropanoyl chloride
Guanethidine sulfate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
(R)-BENZYL METHYL(1,2,3,4-TETRAHYDROQUINOLIN-3-YL)CARBAMATE
1-methyl-1-phenyl-N,N-bis(trimethylsilyl)-Silanediamine
Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate
TERT-BUTYLN-[2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHYL]CARBAMATE
[2-amino-2-(2,4-dimethoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
2-(3-CHLORO-5-PROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C15H22BClO3 (296.13504420000004)
2-(3-CHLORO-5-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C15H22BClO3 (296.13504420000004)
7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate
C13H20N4O4 (296.14844800000003)
Phosphonium,tributyl(carboxymethyl)-, chloride (1:1)
1-Butanone,1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-
Fluproquazone
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
3-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-2,2-dimethylbutane
C13H29O5P (296.17525140000004)
4-[3-(4-aminocyclohexa-1,3-dien-1-yl)oxyphenoxy]cyclohexa-1,3-dien-1-amine
Pyrathiazine
C18H20N2S (296.13471200000004)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-[4-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
Ropinirole hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent Ropinirole (SKF 101468) hydrochloride is an orally active, potent D3/D2 receptor agonist with a Ki of 29 nM for D2 receptor. Ropinirole hydrochloride has pEC50s of 7.4, 8.4 and 6.8 for hD2, hD3 and hD4 receptors, respectively. Ropinirole hydrochloride has no affinity for the D1 receptors. Ropinirole hydrochloride has the potential for Parkinson's disease[1][2].
METHACRYLOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYL SULFATE
Diphenhydramine-d5 hydrochloride
C17H16D5NO.HCl (296.17036909000007)
1-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxylic acid
C13H20N4O4 (296.14844800000003)
l-Glutamic acid, N-coco acyl derivs., compds. with triethanolamine (1:1)
2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
[1-[3-(4-Methylphenoxy)propyl]-2-benzimidazolyl]methanol
2-Methyl-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1-cyclohexane]thione
C18H20N2S (296.13471200000004)
Exiproben
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
Ethanone, 1,2-diphenyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]-
4733-35-1
Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM. Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.
1-Ethyl-4-butyltetralin-6-sulfonic acid
C16H24O3S (296.14460740000004)
methyl 2-(1,8-dihydroxy-4a,8-dimethyl-5-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)propanoate
(-)-(R)-4-Hydroxyyashabushiketol
A natural product found in Alpinia katsumadai.
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-ethoxyphenyl)urea
(Furan-2-yl)[4-(3-phenylallyl)piperazin-1-yl]methanone
N-[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]acetohydrazide
C15H16N6O (296.13855259999997)
N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
N-cyclohexyl-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine
1-(2-Methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazole
1-(Phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
C18H20N2S (296.13471200000004)
3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-1-propanamine
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-2-fluorobenzamide
N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-2-fluorobenzamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
8-[(2E)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]hydrazinyl]-8-oxooctanoic acid
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide
(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+)
(5Z)-3a-Hydroxy-5-[(E)-2-methylbut-2-enylidene]-1-phenyl-3,6-dihydro-2H-pyrrolo[2,3-b]pyridin-4-one
(2-{[3-(3,4-Dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium
(1S,7R,14S)-9-hydroxy-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,8,10,12(19)-pentaen-6-one
2,6-Dimethyl-5-ethoxy-3-methoxy-(6R)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
4-Ethylthio-5-methyl-9-(3-oxobutyl)-2-oxatricyclo(4.4.0.0(4,9))decan-3-one
C16H24O3S (296.14460740000004)
METHDILAZINE
C18H20N2S (296.13471200000004)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol
8-[2-[[5-(hydroxymethyl)-2-furanyl]methylidene]hydrazinyl]-8-oxooctanoic acid
SN40
SN40 is a potent amino acid transport (AAT) inhibitor with Kis of 7.29 μM, 2.42 μM, 2.94 μM, 5.55 μM, 24.43 μM and 5.55 μM for rat ASCT2, human ASCT2, EAAT1, EAAT2, EAAC1 and EAAT5, respectively. SN40 can be used for researching anticancer[1].
(7r,8s)-8-(4-hydroxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol
(2s)-2-(2-hydroxy-4-methylphenyl)propyl (2e)-3-phenylprop-2-enoate
(3s)-2,2-dimethyl-7-[(1e)-2-phenylethenyl]-3,4-dihydro-1-benzopyran-3,5-diol
(8r,9s,10r)-10-chloroheptadec-16-en-4,6-diyne-8,9-diol
3-{3-[(acetyloxy)methyl]-6-isopropylcyclohex-2-en-1-yl}-2-(hydroxymethyl)prop-2-enoic acid
12-methyl-4-(4-methylpent-3-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8-tetraene-10,11-dione
(1r,6r,9s,10s)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.0²,⁷]heptadec-2(7)-en-3-one
8-[2-(2-hydroxyphenyl)ethyl]-3-methyl-2,5-dihydro-1-benzoxepin-6-ol
(1s,2r,5r,6s,9r,10s,12s,13s)-12-hydroxy-9-methoxy-5,9,13-trimethyl-3,14-dioxatetracyclo[8.4.0.0¹,¹³.0²,⁶]tetradecan-4-one
(1s,12s,13r,17r)-3,19-dimethyl-15-oxa-3,19-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁷]nonadeca-2(10),4,6,8-tetraen-16-one
(3s,9r,10s)-10-chloroheptadec-1-en-4,6-diyne-3,9-diol
6-hydroxy-2-(1-hydroxy-6-oxoheptyl)-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one
(2r,3r,5r,7s)-2-hydroxy-5-(2-hydroxypropan-2-yl)-11,11-dimethyl-4,10-dioxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-13-one
6-heptyl-4,5-dihydroxy-5-methyl-2-methylidene-4h,6h-furo[2,3-b]pyran-3-one
(1s,3s,6r,7s,8s,11s)-7-hydroxy-5-(hydroxymethyl)-11-isopropyl-3-methoxy-6-methyl-9-oxatricyclo[6.2.1.0²,⁶]undec-4-en-10-one
(4s,4as,5s,8as,9as)-8a,9a-dihydroxy-4-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one
4-[(2r,3r)-7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]phenol
12-hydroxy-14-methoxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.0³,⁷]tetradecan-5-one
(2r,3r,4r,9r)-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraen-6-one
3-hydroxy-4-[(2r)-6-hydroxy-2-methoxy-6-methylheptan-2-yl]benzoic acid
(1s,5r,8r,9r)-8-hydroxy-4-(2-methoxypropan-2-yl)-10-oxatricyclo[7.2.1.0¹,⁵]dodec-3-ene-8-carboxylic acid
7-hydroxy-5-(2-hydroxypropan-2-yl)-11,11-dimethyl-4,10-dioxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-13-one
(2s,3s,3as)-5-methoxy-3-methyl-2-phenyl-3a-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
methyl 2-(8a-hydroperoxy-1-hydroxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl)prop-2-enoate
(2s,6s)-6-hydroxy-2-[(1s)-1-hydroxy-6-oxoheptyl]-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one
methyl (1r,2r,5r,7s,10s)-10-hydroxy-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-8-ene-8-carboxylate
methyl 2-[(1r,2r,3r,4s,6s)-4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate
(1e,5r)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylhept-1-en-3-one
(4r,5r,6r)-6-heptyl-4,5-dihydroxy-5-methyl-2-methylidene-4h,6h-furo[2,3-b]pyran-3-one
4-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]phenol
2-[(2r,4s,6s)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
(1r,3s,6r,7s,9s,10r,13s)-7-hydroxy-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradecan-5-one
(2r,3r)-2,3-dihydro-2-(4-hydroxyphenyl)-5-methoxy-3-methyl-7-propenylbenzofuran
{"Ingredient_id": "HBIN006398","Ingredient_name": "(2r,3r)-2,3-dihydro-2-(4-hydroxyphenyl)-5-methoxy-3-methyl-7-propenylbenzofuran","Alias": "NA","Ingredient_formula": "C19H20O3","Ingredient_Smile": "CC1C(OC2=C(C=C(C=C12)OC)CC=C)C3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5643","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(1,1-dimethylallyl)-xanthyletin
{"Ingredient_id": "HBIN006905","Ingredient_name": "3-(1,1-dimethylallyl)-xanthyletin","Alias": "NA","Ingredient_formula": "C19H20O3","Ingredient_Smile": "CC1(C=CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6311","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-prenylresveratrol
{"Ingredient_id": "HBIN009479","Ingredient_name": "3-prenylresveratrol","Alias": "NA","Ingredient_formula": "C19H20O3","Ingredient_Smile": "CC(=CCC1=C(C=C(C=C1O)C=CC2=CC=C(C=C2)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35713","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,7r)-5,6-dehydro-1,7-bis(4-hydroxyphenyl)-4′′-de-o-methylcentrolobine
{"Ingredient_id": "HBIN009697","Ingredient_name": "(3s,7r)-5,6-dehydro-1,7-bis(4-hydroxyphenyl)-4\u2032\u2032-de-o-methylcentrolobine","Alias": "NA","Ingredient_formula": "C19H20O3","Ingredient_Smile": "C1C=CC(OC1CCC2=CC=C(C=C2)O)C3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4881","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,7s)-5,6-dehydro-4 ′′-de-o-methylcentro-lobine
{"Ingredient_id": "HBIN009699","Ingredient_name": "(3s,7s)-5,6-dehydro-4 \u2032\u2032-de-o-methylcentro-lobine","Alias": "NA","Ingredient_formula": "C19H20O3","Ingredient_Smile": "C1C=CC(OC1CCC2=CC=C(C=C2)O)C3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4899","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-6-hepten-3-one
{"Ingredient_id": "HBIN011570","Ingredient_name": "5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-6-hepten-3-one","Alias": "NA","Ingredient_formula": "C19H20O3","Ingredient_Smile": "NA","Ingredient_weight": "296.365","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7681","PubChem_id": "NA","DrugBank_id": "NA"}
7-o-methylpseudomajucin
{"Ingredient_id": "HBIN013419","Ingredient_name": "7-o-methylpseudomajucin","Alias": "NA","Ingredient_formula": "C16H24O5","Ingredient_Smile": "CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)OC)O","Ingredient_weight": "296.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14696","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11781435","DrugBank_id": "NA"}
8β,10β-dihydroxy-6β-methoxyeremophil-7(11)-en-12,8α-olide
{"Ingredient_id": "HBIN013648","Ingredient_name": "8\u03b2,10\u03b2-dihydroxy-6\u03b2-methoxyeremophil-7(11)-en-12,8\u03b1-olide","Alias": "NA","Ingredient_formula": "C16H24O5","Ingredient_Smile": "CC1CCCC2(C1(C(C3=C(C(=O)OC3(C2)O)C)OC)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5976","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerstilbenoid pmv70p691-040
{"Ingredient_id": "HBIN016360","Ingredient_name": "anticancerstilbenoid pmv70p691-040","Alias": "NA","Ingredient_formula": "C19H20O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1444","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}