Exact Mass: 325.1613
Exact Mass Matches: 325.1613
Found 500 metabolites which its exact mass value is equals to given mass value 325.1613,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cycloxydim
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3045
Monocrotaline
Hepatotoxin. Causative agent of much seneciosis, e.g. accidental poisoning by S. by weed residues in bread, and characterised by venoocculosive disease Hepatotoxin. Causative agent of much seneciosis, e.g. accidental poisoning by S. by weed residues in bread, and characterised by venoocculosive diseas CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2249 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 131 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 121 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 151 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 141 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 111 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 161 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 171 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 101 Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8]. Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8].
galben
CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9755; ORIGINAL_PRECURSOR_SCAN_NO 9753 CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9638; ORIGINAL_PRECURSOR_SCAN_NO 9633 CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738 CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9736; ORIGINAL_PRECURSOR_SCAN_NO 9733 CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9677; ORIGINAL_PRECURSOR_SCAN_NO 9675 CONFIDENCE standard compound; INTERNAL_ID 567; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9703; ORIGINAL_PRECURSOR_SCAN_NO 9701 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3035 CONFIDENCE standard compound; INTERNAL_ID 8447 CONFIDENCE standard compound; INTERNAL_ID 32
Amdinocillin
Amdinocillin is only found in individuals that have used or taken this drug. It is an amidinopenicillanic acid derivative with broad spectrum antibacterial action. It is poorly absorbed if given orally and is used in urinary infections and typhus. [PubChem]Amdinocillin is a stong and specific antagonist of Penicillin Binding Protein-2 (PBP 2). It is active against gram negative bacteria, preventing cell wall synthesis by inhibiting the activity of PBP2. PBP2 is a peptidoglycan elongation initiating enzyme. Peptidoglycan is a polymer of sugars and amino acids that is the main component of bacterial cell walls. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Cheilanthifoline
Cheilanthifoline is a natural product found in Fumaria densiflora, Fumaria judaica, and other organisms with data available.
Ergonovine
Ergonovine is only found in individuals that have used or taken this drug. It is an ergot alkaloid with uterine and vascular smooth muscle contractile properties. [PubChem]Ergonovine directly stimulates the uterine muscle to increase force and frequency of contractions. With usual doses, these contractions precede periods of relaxation; with larger doses, basal uterine tone is elevated and these relaxation periods will be decreased. Contraction of the uterine wall around bleeding vessels at the placental site produces hemostasis. Ergonovine also induces cervical contractions. The sensitivity of the uterus to the oxytocic effect is much greater toward the end of pregnancy. The oxytocic actions of ergonovine are greater than its vascular effects. Ergonovine, like other ergot alkaloids, produces arterial vasoconstriction by stimulation of alpha-adrenergic and serotonin receptors and inhibition of endothelial-derived relaxation factor release. It is a less potent vasoconstrictor than ergotamine. As a diagnostic aid (coronary vasospasm), ergonovine causes vasoconstriction of coronary arteries. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D012102 - Reproductive Control Agents > D010120 - Oxytocics
bulbocapnine
An aporphine alkaloid that has been isolated from Corydalis and exhibits inhibitory activity against enzymes such as tyrosine 3-monooxygenase and diamine oxidase.
Cassythicine
Alkaloid from Laurus nobilis (bay laurel). Cassythicine is found in tea, sweet bay, and herbs and spices. Cassythicine is found in herbs and spices. Cassythicine is an alkaloid from Laurus nobilis (bay laurel).
2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin
2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is found in fruits. 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is from Morus alba (white mulberry). From Morus alba (white mulberry). 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is found in fruits.
Simulenoline
Simulenoline is found in fruits. Simulenoline is an alkaloid from the bark of Zanthoxylum simulans (Szechuan pepper
Glucopyranosylmoranoline
Glucopyranosylmoranoline, or 4-O-a-D-Glucopyranosylmoranoline (CAS Number 80312-32-9), is a white to off-white solid, soluble in methanol and water, with melting point 189-192C. It is a alpa-glucosidase inhibitor, also may prove to be an effective oral anti-diabetic agent. (PMID: 1794940) D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
(2E,4E,8E)-Piperamide-C9:3
(2E,4E,8E)-Piperamide-C9:3 is found in herbs and spices. (2E,4E,8E)-Piperamide-C9:3 is a constituent of pepper fruits (Piper nigrum, Piperaceae). Constituent of pepper fruits (Piper nigrum, Piperaceae). (2E,4E,8E)-Piperamide-C9:3 is found in herbs and spices and pepper (spice).
Isodomesticine
Isodomesticine is found in herbs and spices. Isodomesticine is an alkaloid from the leaves of Laurus nobilis (bay laurel). Alkaloid from the leaves of Laurus nobilis (bay laurel). Isodomesticine is found in tea, sweet bay, and herbs and spices.
Nornantenine
Nornantenine is found in herbs and spices. Nornantenine is an alkaloid from Laurelia sempervirens (Peruvian nutmeg
Huajiaosimuline
Huajiaosimuline is found in fruits. Huajiaosimuline is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). Alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). Huajiaosimuline is found in herbs and spices and fruits.
Romucosine A
Romucosine A is found in alcoholic beverages. Romucosine A is an alkaloid from Rollinia mucosa (biriba). Constituent of various plants including spinach. Pyropheophytin b is found in green vegetables.
N-[2-Ethoxy-2-(4-methoxyphenyl)ethyl]cinnamide
N-[2-Ethoxy-2-(4-methoxyphenyl)ethyl]cinnamide is found in fruits. N-[2-Ethoxy-2-(4-methoxyphenyl)ethyl]cinnamide is isolated from Aegle marmelos (bael). Isolated from Aegle marmelos (bael). N-[2-Ethoxy-2-(4-methoxyphenyl)ethyl]cinnamide is found in fruits.
Nona-3,5,7-trienedioylcarnitine
nona-3,5,7-trienedioylcarnitine is an acylcarnitine. More specifically, it is an nona-3,5,7-trienedioic 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. nona-3,5,7-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,5,7-trienedioylcarnitine 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].
(2E,4E,7E)-Nona-2,4,7-trienedioylcarnitine
(2E,4E,7E)-nona-2,4,7-trienedioylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E,7E)-nona-2,4,7-trienedioic 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. (2E,4E,7E)-nona-2,4,7-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E,7E)-nona-2,4,7-trienedioylcarnitine 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].
Enpiperate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
Bulbocapnine
1-(4-Aminophenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one
Carbamic acid, (5-amino-1,2-dihydro-3-(4-methylphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents
Ergobasin
Piritrexim
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
Pixantrone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
(3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-5-Methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)octan-6-ol carbamate
Monocrotaline
Monocrotaline is a pyrrolizidine alkaloid. Monocrotaline is a natural product found in Crotalaria novae-hollandiae, Crotalaria recta, and other organisms with data available. A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment. Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.154 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.142 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.145 Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8]. Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8].
2,5-Dideoxy-2,5-imino-DL-glycero-D-manno-heptitol 7-beta-D-xylopyranoside
(Z)-3-(4-hydroxyphenyl)-2-methoxy-N-((E)-4-methoxystyryl)acrylamide|Botryllamide E
Awajanomycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-(2-((2-Methoxybenzyl)amino)ethyl)quinazoline-2,4(1H,3H)-dione
Thalmin|Thalmin; 3,5-Dimethoxy-N-methyl-11-hydroxy-hexahydro-triphenylindin
(+)-O-methylisothebaine|1,2,11-Trimethoxy-6-methyl-6aalpha-aporphan|1,2,11-trimethoxy-6-methyl-6aalpha-aporphane
15,16-methanediyldioxy-3alpha-methoxy-11a-homo-erythrina-1,6-dien-8-one|8-Oxschelhammeridine|Alkaloid K|alkaloid-K (Schelhammera pedunculata)
(S)-3-methoxy-5,8,14,14a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[2,1-b]isoquinolin-2-ol|DC037029|S-(-)-2-hydroxy-3-methoxy-10,11-methylenedioxy-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine
4-ethyl-11,15-dihydroxy-12-methoxy-5-methyl-13-oxa-4-aza-tricyclo[10.2.1.02,5]-pentadec-1-en-3-one|phyllostictine A
11a-Oxoschelhammeridine|15,16-methanediyldioxy-3alpha-methoxy-11a-homo-erythrina-1,6-dien-11a-one|Alkaloid J|alkaloid-J (Schelhammera pedunculata)
3-O-alpha-D-glucopyranosyl-1-deoxynojirimycin|4-O-alpha-D-glucopyranosyl-(1->4)-1-deoxynojirimycin
(+-)-Amurensin|(+-)-amurensine|7-methoxy-13-methyl-10,11-dihydro-5H-11c,5r-azaethano-benzo[4,5]cyclohepta[1,2:4,5]benzo[1,2-d][1,3]dioxol-8-ol|Amurensin|Amurensine
2,5-dideoxy-2,5-imino-(3-O-beta-D-glucopyranosyl)-D-mannitol|3-O-beta-D-glucopyranosyl-2R,5R-dihydroxymethyl-3R,4R-dihydroxypyrrolidine
6,7-dimethoxy 4-(3-methoxy 4-hydroxy benzyl)isoquinoline
(7aS)-8c,10-dimethoxy-(7ar)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinoline|Nor-oliverin|Noroliverine|O-methyl-noroliveridine
5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-7-((3-methyl-2-butenyl)oxy)-
(7aXi,8R)-4-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-8-ol|Guatterin
6,7-dimethoxy 4-(4-methoxy 3-hydroxy benzyl)isoquinoline
1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline
(+-)-litsedine|11,12-dimethoxy-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinoline|Litsedin|Litsedine|O-Methyl-nandigerin|O-Methylnandigerin
6-methoxy-7-hydroxy 4-(3,4-dimethoxybenzyl)isoquinoline
1,3-dihydroxy-4-[(Z)-3-hydroxy-3-methylbuten-1-yl]-N-methylacridone
(7aS)-8c-methoxy-7-methyl-(7ar)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-10-ol|Polysuavin|Polysuavine
Ergonovine
A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D012102 - Reproductive Control Agents > D010120 - Oxytocics CONFIDENCE Claviceps purpurea sclerotia relative retention time with respect to 9-anthracene Carboxylic Acid is 0.382 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.380 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.373 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.375
Dyclonine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent Dyclonine (Dyclocaine) hydrochloride is an orally effective ALDH covalent inhibitor (crosses blood-brain barrier), with an IC50 of 35 μM for ALDH2 and 76 μM for ALDH3A1. Dyclonine hydrochloride has sensitizing activities for targeted cancer cells and antibacterial. Dyclonine hydrochloride is also a local anesthetic that blocks the transmission of various nerve impulses or stimuli and inhibits the sensation of touch and pain[1][2][3].
Mecillinam
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
C16H23NO6_2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-3,4-dihydroxy-3,4,5-trimethyl
C19H23N3O2_(3S,6S)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione
4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
(+)-Benalaxyl
CONFIDENCE standard compound; INTERNAL_ID 2622
4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹?]hexadec-10-ene-3,7-dione
Nornantenine
Simulenoline
Isodomesticine
Romucosine A
Piperamide-C9:3 (2E,4E,8E)
2-O-a-D-Galactopyranosyl-1-deoxynojirimycin
Glucopyranosylmoranoline
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
3,5-Difluoro-4-Morpholinophenylboronic Acid Pinacol Ester
3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzoic acid
3-[[3-oxo-3-(4-propan-2-ylphenyl)propanoyl]amino]benzoic acid
3-[3-(3-ethylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
3-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
3-[3-(3,4-dimethylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
Benzeneacetic acid, a-(hydroxymethyl)-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride (1:1), (aS)-
tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate
6H-Purin-6-one, 2-amino-9-[(2R)-4,4-diethoxy-2-(hydroxymethyl)butyl]-1,9-dihydro-
methyl 1-benzyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
(S)-BENZYL 3-((TERT-BUTOXYCARBONYL)AMINO)-4-FLUORO-4-OXOBUTANOATE
1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(2-methoxyphenyl)
3-(2-ETHOXYCARBONYL-ETHYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLICACIDDIETHYLESTER
2-O-(2-Methoxyethyl)adenosine
2′-O-(2-Methoxyethyl)adenosine is a compound can be used in the synthesis of oligonucleotides[1].
(S)-1-((1,3,2-DIOXABOROLAN-2-YL)OXY)-3-METHYL-1,1-DIPHENYLBUTAN-2-AMINE
(betaR)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,5-dimethoxybenzenepropanoic acid
3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2-METHYLPROPANOIC ACID
3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
6-amino-3-methyl-1,4-diphenylpyrazolo[3,4-b]pyridine-5-carbonitrile
1-(2-FLUORO-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
4-Piperidinecarbonitrile,4-[(3-chlorophenyl)amino]-1-(phenylmethyl)-
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID
2-[2-hydroxy-6-methyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
tert-Butyl 4-(2,4-difluorobenzoyl)piperidin-1-carboxylate
METHYL 6-HYDROXY-5-OXO-7-(1-PHENYLALLYL)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
1-BENZYL-3-(2,2-DIFLUORO-ETHYL)-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER
(2S)-2-{Diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine
tert-Butyl 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
[(1R)-1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]phosphinic ac id
5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride
3-TERT-BUTOXYCARBONYLAMINO-3-(3,4-DIMETHOXY-PHENYL)-PROPIONIC ACID
(4S,5R)-3,5-Oxazolidinecarboxylic acid, 3-benzoyl-2,2-dimethy1-4-pheny1
1-[4-(3,5-Dimethylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
((R)-2-biphenyl-4-yl-1-formylethyl)carbamic acid t-butyl ester
2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoic acid
PHENYLETHYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
6-Isoquinolinol,1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-
3-((TERT-BUTOXYCARBONYL)AMINO)-2-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID
N-(4-ethoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Capobenic acid
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
3-(Aminomethyl)-7,9,12-trimethyl-2H-[1,4]oxazino[2,3,4-ij]pyrido[3,2-g]quinoline-5,11(3H,12H)-dione
(3,4-Dihydro-2h-pyrano[2,3-b]quinolin-7-yl)-(cis-4-methoxycyclohexyl)-methanone
JNJ16259685 is a selective antagonist of mGlu1 receptor, and inhibits the synaptic activation of mGlu1 in a concentration-dependent manner with IC50 of 19 nM.
4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
N-[1-(4-nitrophenyl)ethylidene]-4-(2-pyridinyl)-1-piperazinamine
1-(8-Methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
2-imino-N,8-dimethyl-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
Butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester
N-[4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL]-N,N-dimethyl-benzene-1,4-diamine
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Pixantrone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
4,5-Dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
N-(2,6-dimethylphenyl)-4-[[2-(ethylamino)acetyl]amino]benzamide
methyl 2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
12H-Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizin-9-ol, 6,6a,11,14-tetrahydro-8-methoxy-
1-methyl-3-(1-methyl-1H-indol-3-yl)-4-(pentylamino)-1H-pyrrole-2,5-dione
(3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-5-Methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)octan-6-ol carbamate
9-[6(RS)-8-diamino-5,6,7,8-tetradeoxy-beta-D-ribo-octofuranosyl]-9H-purin-6-amine
1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
1-(4-methoxyphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
1-[(2E,4Z,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
1-[[(5-Hex-1-ynyl-2-furanyl)-oxomethyl]amino]-3-phenylurea
4-Hydroxypapaverine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
1-[2-[3-(Dimethylamino)phenyl]-4-pyrimidinyl]-4-piperidinecarboxamide
1-[4-[3-(Dimethylamino)phenyl]-2-pyrimidinyl]-4-piperidinecarboxamide
1-[5-[3-(Dimethylamino)phenyl]-2-pyrimidinyl]-4-piperidinecarboxamide
4-Phenoxy-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone
N-[2-(1-cyclohexenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
1-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
2-(6-Ethyl-4-methyl-quinazolin-2-ylamino)-6-methoxymethyl-1H-pyrimidin-4-one
N-[(1,5-dimethyl-2-pyrrolyl)methyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-2-phenyl-1-propanone
2-(2,4-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1-cyclopropane]-1,3(2H)-dione
3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium
1-[3-(4-Butoxyphenyl)-3-oxopropyl]piperidinium chloride
N-ethyl-N-[[(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide
N-ethyl-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide
N-ethyl-N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide
N-ethyl-N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide
N-ethyl-N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide
N-ethyl-N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide
N(2)-[(R)-2-amino-2-(4-hydroxyphenyl)acetyl]-N-butyl-L-cysteinamide
2-amino-6,7-dimethyl-4-oxo-8-(1-D-ribityl)-4,8-dihydropteridine
6-({[3,5-Dimethyl-4-(methylthio)phenoxy]carbonyl}amino)hexanoic acid
(3R,13aR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
3-(Diethoxyphosphinyl)methyl-5-phenethyl-2-isoxazoline
alpha-Cyano-alpha-(3,4-dimethoxyphenyl)benzenepropanoic acid methyl ester
(1R,4R,5R,6S,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
D012102 - Reproductive Control Agents > D010120 - Oxytocics
4-O-alpha-D-Glucopyranosylmoranoline
A monosaccharide derivative that is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol having an alpha-D-glucosyl residue attached at position 4. D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
5-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
(S)-nandinine
A berberine alkaloid that is 5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline carrying hydroxy and methoxy substituents at positions 9 and 10 respectively.
17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-16-ol
(13s)-16-methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14(19),15,17-hexaen-17-ol
5,9,9,18-tetramethyl-4,10-dioxa-18-azapentacyclo[9.8.0.0²,⁸.0³,⁵.0¹²,¹⁷]nonadeca-1(11),12,14,16-tetraen-19-one
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4r,5s)-3,5-dihydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(9s)-3,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-13-ol
3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol
1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-en-1-yl)acridin-9-one
2-(2-hydroxypropan-2-yl)-6-methoxy-1h,2h,7h-pyrano[3,4-c]carbazol-4-one
1,3-dihydroxy-4-[(1z)-3-hydroxy-3-methylbut-1-en-1-yl]-10-methylacridin-9-one
(12r)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-18-ol
(2e)-n-[(2s)-2-ethoxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enimidic acid
(3s,6r)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol
(4r,7r)-n-[(2r)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
6-ethylidene-2-methyl-12-phenyl-4,8-dioxa-10-azatricyclo[7.4.0.0²,⁷]trideca-1(9),10,12-triene-3,13-diol
2-(2-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1-hydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-16-ol
15,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene
6-hydroxy-8-methyl-7-[(2-methylpropanoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
(1s,4s,5r,6r,16s)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
9-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one
2-{[3,5-dihydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene
16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-15-ol
1,2,10-trimethoxyaporphine; (r)-form
{"Ingredient_id": "HBIN000529","Ingredient_name": "1,2,10-trimethoxyaporphine; (r)-form","Alias": "NA","Ingredient_formula": "C20H23NO3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "82444-06-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9631","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-α-d-galactopyranosyl-1-deoxynojirimycin
{"Ingredient_id": "HBIN006186","Ingredient_name": "2-o-\u03b1-d-galactopyranosyl-1-deoxynojirimycin","Alias": "NA","Ingredient_formula": "C12H23NO9","Ingredient_Smile": "C1C(C(C(C(N1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15433","TCMID_id": "8051","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
armatamide
{"Ingredient_id": "HBIN016852","Ingredient_name": "armatamide","Alias": "NA","Ingredient_formula": "C19H19NO4","Ingredient_Smile": "COC1=CC=C(C=C1)CCNC(=O)C=CC2=CC3=C(C=C2)OCO3","Ingredient_weight": "325.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1737","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5320157","DrugBank_id": "NA"}
