Exact Mass: 343.181
Exact Mass Matches: 343.181
Found 500 metabolites which its exact mass value is equals to given mass value 343.181,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clemastine
Clemastine is only found in individuals that have used or taken this drug. It is an ethanolamine-derivative, first generation histamine H1 antagonist used in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness. [PubChem]Clemastine is a selective histamine H1 antagonist and 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. 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 > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Laudanine
A benzyltetrahydroisoquinoline that is norlaudanosoline carrying four methyl substituents at positions N-1, O-6, O-7 and O-4. Laudanine is a benzyltetrahydroisoquinoline that is norlaudanosoline carrying four methyl substituents at positions N-1, O-6, O-7 and O-4'. It is a benzyltetrahydroisoquinoline, a benzylisoquinoline alkaloid, a member of phenols and an aromatic ether. It is functionally related to a norlaudanosoline. It is a conjugate base of a laudanine(1+).
N-Didesmethyl-tamoxifen
N-Didesmethyl-tamoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
TETRAHYDROPAPAVERINE
(R)-Laudanidine
Laudanine is found in opium poppy. Laudanine is an alkaloid from Papaver somniferum (opium poppy Alkaloid from Papaver somniferum (opium poppy). Laudanine is found in opium poppy.
Cilomilast
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Levobetaxolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Levobetaxolol hydrochloride is a beta-adrenergic receptor inhibitor (beta blocker) that can lower the pressure in the eye. Levobetaxolol hydrochloride can be used for the research of glaucoma.
6-beta-Naltrexol
6-beta-Naltrexol is a metabolite of naltrexone. Naltrexone is an opioid receptor antagonist used primarily in the management of alcohol dependence and opioid dependence. It is marketed in generic form as its hydrochloride salt, naltrexone hydrochloride, and marketed under the trade names Revia and Depade. In some countries including the United States, a once-monthly extended-release injectable formulation is marketed under the trade name Vivitrol. (Wikipedia)
N-trans-Feruloyl-4-O-methyldopamine
N-trans-Feruloyl-4-O-methyldopamine is found in cereals and cereal products. N-trans-Feruloyl-4-O-methyldopamine is an alkaloid from roots of the pseudocereal Chenopodium album (lambsquarters). Alkaloid from roots of the pseudocereal Chenopodium album (lambsquarters). N-trans-Feruloyl-4-O-methyldopamine is found in cereals and cereal products.
Gossyrubilone
Gossyrubilone is isolated from terminal leaves of Gossypium hirsutum (cotton). Isolated from terminal leaves of Gossypium hirsutum (cotton).
Piperolein B
Minor constituent of Piper nigrum (black pepper). Piperolein B is found in herbs and spices and pepper (spice). Piperolein B is found in herbs and spices. Piperolein B is a minor constituent of Piper nigrum (black pepper
Isopiperolein B
Isopiperolein B is found in herbs and spices. Isopiperolein B is an alkaloid from the berries of Piper nigrum (pepper). Alkaloid from the berries of Piper nigrum (pepper). Isopiperolein B is found in herbs and spices.
(S)-Codamine
(S)-Codamine is found in opium poppy. (S)-Codamine is a minor constituent of opiu Minor constituent of opium. (S)-Codamine is found in opium poppy.
N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide
N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Dec-4-enedioylcarnitine
Dec-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an dec-6-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dec-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dec-6-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Dec-5-enedioylcarnitine
Dec-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an dec-5-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dec-5-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dec-5-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2Z)-dec-2-enedioylcarnitine
(2Z)-dec-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2Z)-dec-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2Z)-dec-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z)-dec-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Dec-7-enedioylcarnitine
Dec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an dec-7-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dec-7-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dec-7-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(4Z)-dec-4-enedioylcarnitine
(4Z)-dec-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an (4Z)-dec-4-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (4Z)-dec-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4Z)-dec-4-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(1R,9S,10S)-17-[(3-Hydroxycyclobutyl)methyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
1-(2,6-Dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane
3,5-Dimethyl-3'-isopropyl-L-thyronine
Cilomilast
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Tetrahydropapaverine hydrochloride
TRIMETHYLCOLCHICINIC ACID
sinapoyltyramine
Sinapoyltyramine belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Sinapoyltyramine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sinapoyltyramine can be found in a number of food items such as komatsuna, common mushroom, pomes, and chickpea, which makes sinapoyltyramine a potential biomarker for the consumption of these food products.
2-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
N-trans-Feruloyl-3-methoxytyramine
A natural product found in Arcangelisia gusanlung.
CP-642931
CONFIDENCE standard compound; INTERNAL_ID 292; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5447; ORIGINAL_PRECURSOR_SCAN_NO 5445 CONFIDENCE standard compound; INTERNAL_ID 292; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5458; ORIGINAL_PRECURSOR_SCAN_NO 5457 CONFIDENCE standard compound; INTERNAL_ID 292; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5487; ORIGINAL_PRECURSOR_SCAN_NO 5486 CONFIDENCE standard compound; INTERNAL_ID 292; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5483; ORIGINAL_PRECURSOR_SCAN_NO 5482 CONFIDENCE standard compound; INTERNAL_ID 292; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5482; ORIGINAL_PRECURSOR_SCAN_NO 5479 CONFIDENCE standard compound; INTERNAL_ID 292; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5493; ORIGINAL_PRECURSOR_SCAN_NO 5492 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 292; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5493; ORIGINAL_PRECURSOR_SCAN_NO 5492
2,4,6-Trideoxy-6-{[(4E)-3-hydroxy-2,4-dimethyl-4-heptenoyl]amino}-2,4-dimethylhex-5-ulosonic acid
3-epi-18-methoxyschelhammericine|dyshomerythrine|dyshomoerythrine
N-trans-feruloyl-4-O-methyldopamine|N-trans-isoferuloyl 4-O-methyldopamine
2-(3a-methyl-1,3-dioxo-octahydro-4,7-epioxido-isoindol-2-yl)-3-phenyl-propionic acid methyl ester
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-methoxyethyl]acrylamide
(-)-O-methylpallidinine|(S)-(-)-O-methylpallidinine|Me ether-(??)-Pallidinine|O-Methylpallidinine
4,6,7-Trimethoxy-5-(2-hydroxy-3-methyl-3-butenyl)furo[2,3-b]quinoline
1-(4-Hydroxy-benzyl)-2-methyl-5,6,7-trimethoxy-1,2,3,4-tetrahydro-isochinolin|4-(5,6,7-trimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-phenol|Thalifendlerin|Thalifendlerine
3a,5,6,6a,7,11c-Hexahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-11-ol
incargranine A|rel-(3aR,4S,4aR,7aR,8R,8aR)-decahydro-3a-hydroxy-7-[4-(2-hydroxyethyl)phenyl]-4,8-ethano-2H-furo[3,2-f]indol-9-one
N-[2-(3-hydroxy-4-methoxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enamide
(E)-2,4-Dimethoxy-3-(gammar,gammar-dimethylallylcinnamoyl)piperidide|2,4-dimethyoxy-3-gamma,gamma-dimethylallyl-trans-cinnamoylpiperidide
Alkaloid LA 6|p-Hydroxy-beta-phenethyl 5-ethyl-3-methoxycarbonyl-4-pyridinylacetate
epi-Wilsonine
3-Epiwilsonine is a natural product found in Phelline comosa with data available.
Caulophine
Caulophine is a member of the class of fluoren-9-ones that is 9H-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy groups at positions 1 and 6 respectively. It is isolated from the radix of Caulophyllum robustum and exhibits anti-myocardial ischemia activity. It has a role as a metabolite and a cardiovascular drug. It is a member of fluoren-9-ones, a tertiary amino compound, a polyphenol, an aromatic ether and an alkaloid. A member of the class of fluoren-9-ones that is 9H-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy groups at positions 1 and 6 respectively. It is isolated from the radix of Caulophyllum robustum and exhibits anti-myocardial ischemia activity.
(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one
3-hydroxy-6-[[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohexanoic acid
(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one [IIN-based: Match]
(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one [IIN-based on: CCMSLIB00000848139]
3-hydroxy-6-[[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohexanoic acid_major
Gly Gly Asn Pro
Gly Gly Pro Asn
Gly Asn Gly Pro
Gly Asn Pro Gly
Gly Pro Gly Asn
Gly Pro Asn Gly
Asn Gly Gly Pro
Asn Gly Pro Gly
Asn Pro Gly Gly
Pro Gly Gly Asn
Pro Gly Asn Gly
Pro Asn Gly Gly
N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-YL)ethyl)oxalamide
Gossyrubilone
N-trans-Feruloyl-4-O-methyldopamine
Pyrimido[1,2-a]benzimidazole, 2-methyl-4-(4-phenyl-1-piperazinyl)- (9CI)
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
methyl 2-[[[3-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]benzoate
1-TERT-BUTYL 4-ETHYL 4-(2-ETHOXY-2-OXOETHYL)PIPERIDINE-1,4-DICARBOXYLATE
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
1-CBZ-6-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1,2,3,4-TETRAHYDROPYRIDINE
TERT-BUTYL 4-(2-OXO-4-PHENYL-2,3-DIHYDRO-1H-IMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE
ethyl prop-2-enoate,2-methylaziridine,methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
TERT-BUTYL 3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-4-OXOPIPERIDINE-1-CARBOXYLATE
Betaxolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Betaxolol Hydrochloride is a selective beta1 adrenergic receptor blocker that can be used for the research of hypertension and glaucoma.
(+/-)-Tetrahydropapaverine
A benzylisoquinoline alkaloid that is norlaudanosoline in which the four phenolic hydrogens have been replaced by methyl groups.
tert-Butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
ethyl 3-(benzyl(3-ethoxy-3-oxopropyl)amino)-2,2-difluoropropanoate
Benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate
4-({4-[(4-Formyl-2,6-dimethylphenyl)amino]-2-pyrimidinyl}amino)be nzonitrile
Acetyldihydrocodeine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives
N-(6-aminohexyl)hexane-1,6-diamine,2-(chloromethyl)oxirane,hydrochloride
1-Ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol an-2-yl)-1H-pyrazole
5-(4-butylphenyl)-6-chloro-N-cyclopentyl-2-methylpyrimidin-4-amine
Ethacridine lactate
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AA - Acridine derivatives D000890 - Anti-Infective Agents
2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
D-α-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)-β-(S)-tert-butoxybutyric acid
(3S)-3-Methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
1-[4-Hydroxy-3-(hydroxymethyl)phenyl]-2-[(4-phenylbutyl)amino]ethyl formate
N-trans-Sinapoyltyramine
A natural product found in Piper boehmeriaefolium.
4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride
Ibopamine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
6beta-Naltrexol
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
N-[[1-(2-phenoxyethyl)-2-benzimidazolyl]methyl]aniline
3-Hydroxybutorphanol
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
(1R)-1-(4-((2R,6S)-4-(4,6-Dimethyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl)pyrimidin-2-yl)ethanol
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(furan-3-yl)methyl]piperazine-1-carboxamide
N-Methyl-N-[3-(6-phenyl[1,2,4]triazolo[4,3-B]pyridazin-3-YL)phenyl]acetamide
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine
2-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]-4,6-dipropyl-1H-imidazo[4,5-b]pyridine-5,7-dione
2-(4-cyclohexylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride
3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
4-(Cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester
2-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
2-[[[2-Methyl-1-(phenylmethyl)-5-benzimidazolyl]amino]methyl]phenol
2-chloro-4-methyl-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
3-(4-Methoxyphenyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]propanoic acid
1-[4-(4-Tert-butylphenyl)-2-thiazolyl]-4-piperidinecarboxamide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
ethyl 4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate
1-(2-Chlorophenyl)-3-[4-(1-piperidinylmethyl)phenyl]urea
(2E)-3-[(4-methoxyphenyl)amino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
N-(6-Methyl-2-p-tolyl-2H-benzotriazol-5-yl)-nicotinamide
1-Butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
(1S,2S)-1-decyl-2-hydroxybutane-1,2,4-tricarboxylate
2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzamide
6-Methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]quinazolin-4-ol
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
ethyl 5-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
N-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide
(E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
N-[1-(3-ethyl-2-benzo[f][1,3]benzoxazol-3-iumyl)but-1-en-2-yl]aniline
1-(Isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol hydrochloride
(2S)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride
3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime
(2R)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride
(2E)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dodec-2-enoate
(E,11R)-11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxydodec-2-enoate
(2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
8-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-1-ium-4-one
Buflomedil hydrochloride
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
(1R)-1-[3-Hydroxy-4-methoxybenzyl]-2-formyl-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
2,4-Dibutyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
(S)-tetrahydropapaverine
The S-enantiomer of tetrahydropapaverine.
Clemastine
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 > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
(S)-Codamine
A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinolin-7-ol which is substituted by 3,4-dimethoxybenzyl, methyl, and methoxy groups at positions 1, 2, and 6, respectively (the 1S enantiomer).
5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
N-trans-feruloyl-4-O-methyldopamine
A member of the class of cinnamamides that is an enamide obtained by the formal condensation of ferulic acid with 4-O-methyldopamine. It has been isolated from Pisonia aculeata.
oscr#19(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#19, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-[(9E)-10-(3,4-methylenedioxyphenyl)-9-decenoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
A-841720
A-841720 is a potent, non-competitive and selective mGlu1 receptor antagonist with an IC50 of 10 nM for human mGlu1 receptor. A-841720 displays 34-fold selectivity over mGlu5 (IC50 of 342 nM), and no significant activity at a range of other neurotransmitter receptors, ion channels, and transporters. A-841720 has the potential for chronic pain research[1][2].
methyl (9bs,11s)-7,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-8-carboxylate
(1r,18r)-4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.0¹,¹⁵.0²,⁷.0¹³,¹⁵]nonadeca-2(7),3,5,16-tetraene
(6r,9r,12s)-4,12,14-trihydroxy-5-isopropyl-6,9-dimethyl-15-azatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadeca-1,4,13(16),14-tetraen-3-one
3-[(1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl)methyl]-5-amino-2-hydroxycyclohexa-2,5-diene-1,4-dione
(3r)-3-hydroxy-2,2,10-trimethyl-9-[(3-methylbut-2-en-1-yl)oxy]-3h,4h-pyrano[2,3-b]quinolin-5-one
n-[2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
(1s,13r,15s,18s)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-yl acetate
(1r,5s,8r,9s,10s,11r,14r,16r,17r,18r,19r)-10,16,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-one
4-[(2r)-6-(hydroxymethyl)-9-methoxy-4-methyl-8-(methylamino)-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]phenol
n-[(2r)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-4-(4-hydroxy-3-methoxyphenyl)but-2-enimidic acid
n-[2-hydroxy-1-(5-hydroxy-6-methyloxan-2-yl)pyrimidin-4-ylidene]-2-phenylacetamide
3-[2-(dimethylamino)ethyl]-2-[(1e)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-6-methoxyphenol
(1r,7as)-hexahydro-1h-pyrrolizin-1-ylmethyl (2r)-2-[(1s)-1-(acetyloxy)ethyl]-2,3-dihydroxy-3-methylbutanoate
n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid
3-(4-hydroxy-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)-2-methoxyethyl]prop-2-enimidic acid
4,5,13-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,13-tetraen-12-one
(10r)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,10r)-4,5,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
11-o-acetylhaemanthamine
{"Ingredient_id": "HBIN000477","Ingredient_name": "11-o-acetylhaemanthamine","Alias": "NA","Ingredient_formula": "C19H21NO5","Ingredient_Smile": "CC(=O)OC1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)OC)OCO4","Ingredient_weight": "343.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100958260","DrugBank_id": "NA"}
