Exact Mass: 349.1813
Exact Mass Matches: 349.1813
Found 500 metabolites which its exact mass value is equals to given mass value 349.1813,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cetiedil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D006401 - Hematologic Agents > D000986 - Antisickling Agents ATC code: C04AX26
Fenpropathrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
Murrayazolinine
Murrayazolinine is found in herbs and spices. Murrayazolinine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
Demethoxyfumitremorgin C
Demethoxyfumitremorgin C is produced by Aspergillus fumigatu
Mahanimbinine
Mahanimbinine is found in herbs and spices. Mahanimbinine is an alkaloid from leaves of Murraya koenigii (curryleaf tree
Coutaric acid
Coutaric acid is a fecal metabolite from grape juice. It may also be in urine. It is an ester formed from coumaric acid and tartaric acid.
Pefloxacin N-oxide
Pefloxacin N-oxide is a metabolite of pefloxacin. Pefloxacin is a synthetic chemotherapeutic agent used to treat severe and life threatening bacterial infections. Pefloxacin is commonly referred to as a fluoroquinolone drug and is a member of the fluoroquinolone class of antibacterials. It is an analog of norfloxacin. It is a synthetic fluoroquinolone, belonging to the 3rd generation of quinolones. Pefloxacin is extensively prescribed in France. Pefloxacin has not been approved for use in the United States. (Wikipedia) D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine
5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine is an acylcarnitine. More specifically, it is an 5-[(3S)-1,2-dithiolan-3-yl]pentanoic 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. 5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine 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].
(3R,4S)-2-[6-(Cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
N-Hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide
Dihydrochelerythrine
Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3]. Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3].
Pancopride
Riddelliine
Texaphyrin
Sodium dodecylbenzenesulfonate
Surfactant for use in washing or lye peeling of fruit and vegetables and in poultry scald solutions
Arachin
Arachin is a member of the class of compounds known as quinazolinamines. Quinazolinamines are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. Arachin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arachin can be found in peanut, which makes arachin a potential biomarker for the consumption of this food product. Kodashim or Kodshim or Qodhashim (Hebrew: קדשים "Holy Things") is the fifth Order in the Mishnah (also the Tosefta and Talmud). Of the six Orders of the Mishnah, it is the third longest. Kodoshim deals largely with the religious service within the Temple in Jerusalem, the qorbanot ("sacrificial offerings"), and other subjects considered or related to these "Holy Things" .
(5Z)-(15S)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate
(5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate, also known as 15-dehydro-prostaglandin e2 anion, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid (5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate can be found in a number of food items such as maitake, green zucchini, yellow pond-lily, and canada blueberry, which makes (5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate a potential biomarker for the consumption of these food products. (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate, also known as 15-dehydro-prostaglandin e2 anion, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate can be found in a number of food items such as maitake, green zucchini, yellow pond-lily, and canada blueberry, which makes (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate a potential biomarker for the consumption of these food products.
16, 17-dihydro-16alpha, 17-dihydroxy GA9
16, 17-dihydro-16alpha, 17-dihydroxy ga9 is also known as 16α, 17-[oh]2 gibberellin a9. 16, 17-dihydro-16alpha, 17-dihydroxy ga9 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 16, 17-dihydro-16alpha, 17-dihydroxy ga9 can be found in a number of food items such as spirulina, leek, tinda, and fenugreek, which makes 16, 17-dihydro-16alpha, 17-dihydroxy ga9 a potential biomarker for the consumption of these food products. 16, 17-dihydro-16α, 17-dihydroxy ga9 is also known as 16α, 17-[oh]2 gibberellin a9. 16, 17-dihydro-16α, 17-dihydroxy ga9 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 16, 17-dihydro-16α, 17-dihydroxy ga9 can be found in a number of food items such as spirulina, leek, tinda, and fenugreek, which makes 16, 17-dihydro-16α, 17-dihydroxy ga9 a potential biomarker for the consumption of these food products.
1ST14178
Spartioidine N-oxide is a pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an olefinic compound, an organic heterotricyclic compound, a pyrrolizine alkaloid, a tertiary alcohol and a tertiary amine oxide. It is functionally related to a spartioidine. Seneciphylline N-oxide is a natural product found in Jacobaea persoonii with data available. A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent.
Dihydrochelerythrine
Dihydrochelerythrine is a benzophenanthridine alkaloid. Dihydrochelerythrine is a natural product found in Zanthoxylum coriaceum, Zanthoxylum gilletii, and other organisms with data available. Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3]. Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3].
Seneciphylline N-oxide
A pyrrolizine alkaloid that is produced by a hybrid species of Jacobaea. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2279
12,13-Dihydroprolyl-2-(1,1-dimethylallyltryptophyl) diketopiperazine
methyl 7-(3-acetylamino-2,5-dihydroxyphenyl)-7-hydroxy-4,6-dimethyl-2,4-heptadienoate
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-benzyl-1h-indole-3-carboxamide
Erucifoline
A pyrrolizine alkaloid that is produced by several Jacobaea species and displays toxicity towards insect herbivores. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2300 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 174 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 164 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 154 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 144 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 134 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 124 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 114 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 104
3-[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-ylmethyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
19-(alpha-Methyl)-18-deoxy-15,22-dihydro-3-iso-cadamin|5-methyl-3,5,7,8,13,13b,14,14a-octahydro-indolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine-1-carboxylic acid methyl ester
Mahanimbinine
2-(2-amino-beta-D-2-deoxy-gulopyranosylamino)-5-(2-amino-1-hydroxy-ethyl)-4,5-dihydro-1H-imidazole-4-carboxylic acid
Murrayazolinine
(-)-lepadin C|(2S,3S,4aS,5S,8aR)-2-methyl-5-[(1E,3E)-7-oxo-1,3-octadienyl]decahydro-3-quinolinyl hydroxyacetate|lepadin C
2-[6-(1,3-Benzodioxole-5-yl)hexyl]-4(1H)-quinolinone
14beta,141-epoxy-15-hydroxy-14alpha-methyl-(15alphaH)-15,20-dihydro-21-nor-senecion-12(18)-ene-11,16-dione|Swazine
Riddelliine
Riddelline is a colorless to off-white crystalline solid. Starts turning brown at approximately 329 °F; is blackish-brown at melting point. (NTP, 1992) Riddelliine is a macrodiolide that is 13,19-didehydrosenecionan bearing two additional hydroxy substituents at positions 12 and 18 as well as two additional oxo groups at positions 11 and 16. It has a role as a genotoxin, a mutagen and a carcinogenic agent. It is a pyrrolizine alkaloid, an organic heterotricyclic compound, an olefinic compound and a macrodiolide. It is functionally related to a senecionan. Riddelliine is a natural product found in Senecio aegyptius, Senecio glaucus, and other organisms with data available. A macrodiolide that is 13,19-didehydrosenecionan bearing two additional hydroxy substituents at positions 12 and 18 as well as two additional oxo groups at positions 11 and 16.
Erucifoline
CID 6442624 is a natural product found in Jacobaea aquatica with data available.
12,13-dehydroprolyl-2-(1,1-dimethylallyltryptophyl)diketopiperazine
Coutaric acid
Demethoxyfumitremorgin C
An organic heteropentacyclic compound that is a mycotoxic indole alkaloid, consisting of fumitremorgin C lacking the 9-methoxy substituent.
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1H-indol-2-one
Vernakalant
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent C93038 - Cation Channel Blocker
2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL) PYRIDINE-4-BORONIC ACID PINACOL ESTER
1-Benzyl 4-tert-butyl 2-(aminomethyl) piperazine-1,4-dicarboxylate
5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
n-(3-acryloxy-2-hydroxypropyl)-3-aminopropyltriethoxysilane
METHYL 3-CYCLOHEXYL-2-(2-HYDROXYPHENYL)-1H-INDOLE-6-CARBOXYLATE
(R )-5-(2-aminopropyl)-1-(3-benzyloxypropyl) indoline-7-carbonitrile
3-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
2-AMINO-1-BENZYL-4,5-DIPHENYL-1H-PYRROLE-3-CARBONITRILE
TERT-BUTYL (S)-4-(CBZ-AMINO)-5-METHYL-3-OXOHEXANOATE
(2S,3R)-N-TERT-BUTOXYCARBONYL-3-BENZOYLOXY-2-PYRROLIDINECARBOXYLICACIDMETHYLESTER
[R-(R*,S*)]-3-[(2-hydroxy-1-methyl-2-phenylethyl)amino]-3-methoxypropiophenone hydrochloride
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-METHOXYBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
TERT-BUTYL (2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)CARBAMATE
2-CYCLOHEXYL-1-OXO-3-PHENYL-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
6-([(tert-Butyldimethylsilyl)oxy]methyl)pyridine-3-boronic acid pinacol ester
1-METHYL-N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOL-2-AMINE
4-CYCLOHEXYL-5-(3,4,5-TRIMETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
(4-PIPERAZIN-1-YL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE
Panobinostat
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
DIETHYL 2-(1-(4-ACETAMIDOPHENYL)-1-OXOPROPAN-2-YL)MALONATE
2-piperidin-1-ylethyl 2,2-diphenylcyclopropane-1-carboxylate
(1S,3R)-1-(1,3-Benzodioxol-5-yl)-N-methyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxamide
Boronic acid, B-[4-[bis(4-methoxyphenyl)amino]phenyl]-
tert-butyl 4-(4-aMinophenyl)piperazine-1-carboxylate dihydrochloride
1-tert-butyl 2-Methyl 2-(2-(benzylaMino)ethyl)azetidine-1,2-dicarboxylate
N6-Cyclohexyladenosine
N6-Cyclohexyladenosine is a selective adenosine A1 receptor agonist (EC50 = 8.2 nM). N6-Cyclohexyladenosine is a selective adenosine A1 receptor agonist (EC50 = 8.2 nM).
Methylamino-phenylalanyl-leucyl-hydroxamic acid
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-Phenylurea
Biphenamine hydrochloride
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
N-(1H-benzimidazol-2-ylmethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
PAPP
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists LY 165163 is a potent 5-HT presynaptic receptor agonist. LY 165163 significantly decreases 5-HTP accumulation and increases DOPA accumulation in the cortex and striatum[1].
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19alpha,20alpha)-
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydrofuran-3-yl)methyl)quinazolin-4-amine
N-(1,3-benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
cis-4-Methyl-N-[(1S)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
2-[2-[(2-Amino-3-phenylpropanoyl)amino]propanoylamino]-4-methylpentanoic acid
resolvin E1(1-)
An icosanoid anion resulting from the removal of a proton from the carboxy group of resolvin E1; major species at pH 7.3.
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
An icosanoid anion arising from deprotonation of the carboxylic acid function of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; major species at pH 7.3.
15-dehydro-prostaglandin E2(1-)
Conjugate base of 15-dehydro-prostaglandin E2.
15-dehydro-prostaglandin I2(1-)
Conjugate base of 15-dehydro-prostaglandin I2.
15-dehydro-prostaglandin D2(1-)
Conjugate base of 15-dehydro-prostaglandin D2.
(6E)-2-methoxy-6-[4-(2-methylpiperidin-1-yl)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
(E)-5-[3-[(hydroxy-oxido-phenylphosphaniumyl)amino]-2-bicyclo[2.2.1]heptanyl]pent-3-enoic acid
(4E)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
2-[[[(E)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
Cathestatin A
A dicarboxylic acid monoamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-phenylalaninamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease.
Pyrrolo(1,2-a)pyrazine-1,4-dione, 3-((2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)methyl)-2,3,6,7-tetrahydro-, (S)-
6-(1,3-benzodioxol-5-yl)-N-(2-oxolanylmethyl)-4-quinazolinamine
(5S)-hydroperoxy-18-hydroxy-EPE(1-)
An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-18-hydroxy-EPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(phenylmethyl)propanamide
prostaglandin D3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
15-oxolipoxin A4(1-)
A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 15-oxolipoxin A4; major species at pH 7.3.
2-(2-Methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]-4-oxazolecarbonitrile
20-oxoleukotriene B4(1-)
A leukotriene anion that is the conjugate base of 20-oxoleukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
N-(2-oxolanylmethyl)-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamide
1-[1-Methyl-2-(1-pyrrolidinylmethyl)-5-benzimidazolyl]-3-phenylurea
1-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-(1H-indol-3-yl)-1-propanone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide
N-[1-oxo-3-phenyl-1-(2-pyridinylmethylamino)propan-2-yl]-2-furancarboxamide
1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
6-[(2,5-Dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinone
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
N-[(2-hydroxy-1-naphthalenyl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
N-(4-Oxo-3,4-dihydro-quinazolin-2-ylmethyl)-N-phenethyl-butyramide
(5Z,13E,15S,17Z)-11alpha,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oate
(5Z,9S,11R,13E,15S,17Z)-15-Hydroxy-9,11-epidioxyprosta-5,13,17-trienoate
N1-cyclohexyl-4-(4-fluorobenzyl)-1,4-diazepane-1-carbothioamide
(15R)-13-(Furan-2-ylmethyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
6-(1,3-benzodioxol-5-yl)-N-[[(2S)-2-oxolanyl]methyl]-4-quinazolinamine
2-[(1-Methyl-2-benzimidazolyl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
(5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoate
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
(6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol;chloride
2-(dimethylamino)-1-[(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
(1S,5R)-7-[4-(2-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(1R,5S)-7-[4-(4-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
(5E)-2-(diethylamino)-5-[(4-methoxyphenyl)methylidene]-3-phenylimidazol-4-one
2-N-methyl-2-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine
(9E)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
2-Ethoxycarbonyl-3,4-dimethoxycarbonyl-1-methyl-5-phenylpyrrolidine (2,3-trans-3,4,5-cis)
2-Ethoxycarbonyl-3,4-dimethoxycarbonyl-1-methyl-5-phenylpyrrolidine (2,3,5-cis-4,5-trans)
1-[Diethyl(phenylethynyl)silyl]-2-(diethylsilyl)benzene
Fenpropathrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
Cetiedil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D006401 - Hematologic Agents > D000986 - Antisickling Agents ATC code: C04AX26
Pefloxacin N-oxide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
2-[6-(Cyclohexylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
prostaglandin E3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin E3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
prostaglandin H3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(18S)-resolvin E1(1-)
An icosanoid anion that is the conjugate base of (18S)-resolvin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
alstonine(1+)
An organic cation resulting from the protonation of the carbonilide moiety of alstonine. The major microspecies at pH 7.3.
serpentine(1+)
An organic cation that is the conjugate acid of serpentine. It is the major species at pH 7.3.
CFMTI
CFMTI inhibits L-glutamate-induced intracellular Ca2+ mobilization in CHO cells expressing human and rat mGluR1a, with IC50s of 2.6 and 2.3 nM, respectively[1].
ML289
ML289 (VU0463597) is a potent, selective, and CNS-penetrant mGlu3 (IC50=0.66 μM) negative allosteric modulator. ML289 displays >15-fold selectivity over mGlu2 and is inactive against mGlu5[1]. ML289 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Reutericyclin
Reutericyclin (Reutericycline), a unique tetramic acid, is an antibiotic produced by some strains of Lactobacillus reuteri. Reutericyclin (Reutericycline) exhibits a broad inhibitory spectrum including Lactobacillus spp., Bacillus subtilis, B. cereus, Enterococcus faecalis, Staphylococcus aureus, and Listeria innocua[1][2].
1-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6-methyl-9h-carbazole-2,7-diol
(5r,7s,9z,12r,18r)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-ene-4,10-dione
11,13-dihydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one
1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
3-(3-hydroxy-3-methyl-2-oxobutyl)-4,7,8-trimethoxy-1-methylquinolin-2-one
11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
(1s,13s,15r,16r)-12,12,16-trimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
12,12,16-trimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
(2e)-3-phenyl-n-(4-{[(2e)-3-phenylprop-2-enoyl]oxy}butyl)prop-2-enimidic acid
(3s)-1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-3h,6h,7h-pyrrolo[1,2-a]pyrazin-4-one
(1'r,2s,3s,7'r,17'r)-7'-hydroxy-3,7'-dimethyl-6'-methylidene-2',9'-dioxa-14'-azaspiro[oxirane-2,4'-tricyclo[9.5.1.0¹⁴,¹⁷]heptadecan]-11'-ene-3',8'-dione
(3z,8as)-1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
(8e)-9-{[(2s)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-yl]-c-hydroxycarbonimidoyl}non-8-enoic acid
17-(hydroxymethyl)-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-7-ene-7,9,17-triol
(9e)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-ene-4,10-dione
5-hydroxy-4-(5-hydroxyhex-2-en-1-yl)-4-(2-methyl-6-oxooxan-4-yl)-2-(propan-2-ylidene)pyrrol-3-one
(20r)-5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaen-10-ol
methyl 2-(methylamino)-5-[(3s)-9-oxo-1h,2h,3h-pyrrolo[2,1-b]quinazolin-3-yl]benzoate
(1r,1's,5s,6's)-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
(1r,2r,10s,11s,12s,13r,15r)-11-(acetyloxy)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-12-yl acetate
(5S,6S,15R)-15-Methyllycopodane-5,6-diol 5,6-diacetate
{"Ingredient_id": "HBIN011943","Ingredient_name": "(5S,6S,15R)-15-Methyllycopodane-5,6-diol 5,6-diacetate","Alias": "NA","Ingredient_formula": "C20H31NO4","Ingredient_Smile": "CC1CC2C3CCCN4C3(C1)C(CCC4)C(C2OC(=O)C)OC(=O)C","Ingredient_weight": "349.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "459","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21576176","DrugBank_id": "NA"}
acetylfawcettiine
{"Ingredient_id": "HBIN014474","Ingredient_name": "acetylfawcettiine","Alias": "NA","Ingredient_formula": "C20H31NO4","Ingredient_Smile": "CC1CC23C4CCCN2CCCC3C(CC4C1OC(=O)C)OC(=O)C","Ingredient_weight": "349.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38577","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101500246","DrugBank_id": "NA"}
