Exact Mass: 337.1801606
Exact Mass Matches: 337.1801606
Found 500 metabolites which its exact mass value is equals to given mass value 337.1801606,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lobeline
(-)-lobeline is an optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position. It has a role as a nicotinic acetylcholine receptor agonist. It is a piperidine alkaloid, a tertiary amine and an aromatic ketone. Lobeline is a natural product found in Lobelia sessilifolia, Lobelia inflata, and other organisms with data available. An alkaloid that has actions similar to NICOTINE on nicotinic cholinergic receptors but is less potent. It has been proposed for a variety of therapeutic uses including in respiratory disorders, peripheral vascular disorders, insomnia, and smoking cessation. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D019141 - Respiratory System Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.733 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.728
Danazol
Danazol is a synthetic steroid with anti-oestrogenic and anti progestogenic activity, and weak androgenic properties. Danazol suppresses oestrogen and progesterone receptors in the endometrium, leading to endometrial atrophy (thinning of the lining of the uterus) and reduced menstrual loss and to amenorrhoea in some women. Danazol significantly lowers the duration of menses when compared with NSAIDs and a progesterone releasing IUD; however, caused more adverse events than NSAIDs and progestogens. The use of Danazol may be limited by its side effect profile, its acceptability to women and the need for continuing treatment. Because danazol is structurally related to the anabolic steroid stanozolol, its use should be questioned. Derivatization methods and GC/MS data are used to implement danazol detection in routine screening and confirmation procedures in doping analysis. Danazol main metabolite ethisterone is excreted relatively fast in urine. (PMID: 17636649, 1640693, 16288903) [HMDB] Danazol is a synthetic steroid with anti-oestrogenic and anti progestogenic activity, and weak androgenic properties. Danazol suppresses oestrogen and progesterone receptors in the endometrium, leading to endometrial atrophy (thinning of the lining of the uterus) and reduced menstrual loss and to amenorrhoea in some women. Danazol significantly lowers the duration of menses when compared with NSAIDs and a progesterone releasing IUD; however, caused more adverse events than NSAIDs and progestogens. The use of Danazol may be limited by its side effect profile, its acceptability to women and the need for continuing treatment. Because danazol is structurally related to the anabolic steroid stanozolol, its use should be questioned. Derivatization methods and GC/MS data are used to implement danazol detection in routine screening and confirmation procedures in doping analysis. Danazol main metabolite ethisterone is excreted relatively fast in urine. (PMID: 17636649, 1640693, 16288903). CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9896; ORIGINAL_PRECURSOR_SCAN_NO 9894 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9859; ORIGINAL_PRECURSOR_SCAN_NO 9858 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9824; ORIGINAL_PRECURSOR_SCAN_NO 9822 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9882; ORIGINAL_PRECURSOR_SCAN_NO 9880 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9866; ORIGINAL_PRECURSOR_SCAN_NO 9865 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9843; ORIGINAL_PRECURSOR_SCAN_NO 9841 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XA - Antigonadotropins and similar agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Linezolid
C16H20FN3O4 (337.14377720000005)
Linezolid is only found in individuals that have used or taken this drug. It is a synthetic antibiotic, the first of the oxazolidinone class, used for the treatment of infections caused by multi-resistant bacteria including streptococcus and methicillin-resistant Staphylococcus aureus (MRSA). Linezolid is a synthetic antibacterial agent of the oxazolidinone class of antibiotics. It has in vitro activity against aerobic Gram positive bacteria, certain Gram negative bacteria and anaerobic microorganisms. It selectively inhibits bacterial protein synthesis through binding to sites on the bacterial ribosome and prevents the formation of a functional 70S-initiation complex. Specifically, linezolid binds to a site on the bacterial 23S ribosomal RNA of the 50S subunit and prevents the formation of a functional 70S initiation complex, which is an essential component of the bacterial translation process. The results of time-kill studies have shown linezolid to be bacteriostatic against enterococci and staphylococci. For streptococci, linezolid was found to be bactericidal for the majority of strains. Linezolid is also a reversible, nonselective inhibitor of monoamine oxidase. Therefore, linezolid has the potential for interaction with adrenergic and serotonergic agents. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C258 - Antibiotic
Olopatadine
C21H23NO3 (337.16778480000005)
Used to treat allergic conjunctivitis (itching eyes), olopatadine inhibits the release of histamine from mast cells. It is a relatively selective histamine H1 antagonist that inhibits the in vivo and in vitro type 1 immediate hypersensitivity reaction including inhibition of histamine induced effects on human conjunctival epithelial cells. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D018926 - Anti-Allergic Agents
Bitertanol
D016573 - Agrochemicals D010575 - Pesticides
Kyotorphin
C15H23N5O4 (337.17499580000003)
Kyotorphin (L-tyrosyl-L-arginine) is a neuroactive dipeptide which plays a role in pain regulation in the brain. It was first isolated from bovine brain by Japanese scientists in 1979. Kyotorphin was named for the site of its discovery, Kyoto, Japan and because of its morphine- (or endorphin-) like analgesic activity. Kyotorphin has an analgesic effect, but it does not interact with the opioid receptors. Instead, it acts by releasing an Met-enkephalin and stabilizing it from degradation. It may also possess properties of neuromediator/neuromodulator. It has been shown that kyotorphin is present in the human cerebrospinal fluid and that it is lower in patients with persistent pain. [HMDB] Kyotorphin (L-tyrosyl-L-arginine) is a neuroactive dipeptide which plays a role in pain regulation in the brain. It was first isolated from bovine brain by Japanese scientists in 1979. Kyotorphin was named for the site of its discovery, Kyoto, Japan and because of its morphine- (or endorphin-) like analgesic activity. Kyotorphin has an analgesic effect, but it does not interact with the opioid receptors. Instead, it acts by releasing an Met-enkephalin and stabilizing it from degradation. It may also possess properties of neuromediator/neuromodulator. It has been shown that kyotorphin is present in the human cerebrospinal fluid and that it is lower in patients with persistent pain. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004723 - Endorphins Kyotorphin is an endogenou neuroactive dipeptide with analgesic properties. Kyotorphin possesses anti-inflammatory and antimicrobial activity. Kyotorphin levels in cerebro-spinal fluid correlate negatively with the progression of neurodegeneration in Alzheimer's Disease patients[1].
Streptobiosamine
An amino disaccharide that is a 2-deoxy-2-(methylamino)-alpha-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3.
Nemorensine
Talampanel
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Same as: D02696 Talampanel (LY300164) is an orally and selective α-amino-3-hydroxy-5-methyl-4-isoxazolepropionate (AMPA) receptor antagonis with anti-seizure activity[1]. Talampanel (IVAX) has neuroprotective effects in rodent stroke models[2]. Talampanel attenuates caspase-3 dependent apoptosis in mouse brain[2].
fuchsin basic
C20H20ClN3 (337.13456700000006)
D004396 - Coloring Agents > D012394 - Rosaniline Dyes
Lambertine
Lambertine is an alkaloid. Dihydroberberine is a natural product found in Thalictrum foliolosum, Berberis vulgaris, and other organisms with data available. Lambertine is found in fruits. Lambertine is an alkaloid from Berberis vulgaris (barberry). Alkaloid from Berberis vulgaris (barberry). Lambertine is found in tea and fruits.
Junosidine
Junosidine is a member of the class of compounds known as acridones. Acridones are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Junosidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Junosidine is an alkaloid that has been found in the root bark of Citrus junos (yuzu).
5-Methoxynoracronycine
5-Methoxynoracronycine is found in citrus. 5-Methoxynoracronycine is an alkaloid from the bark of Citrus junos (yuzu
3,6-Ditigloyloxytropan-7-ol
3,6-Ditigloyloxytropan-7-ol is found in fruits. 3,6-Ditigloyloxytropan-7-ol is an alkaloid present in Cyphomandra betacea (tree tomato
Arginyltyrosine
C15H23N5O4 (337.17499580000003)
Arginyltyrosine is a dipeptide composed of arginine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tyrosyl-Arginine
C15H23N5O4 (337.17499580000003)
Tyrosyl-Arginine is a dipeptide composed of tyrosine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
4-O-alpha-D-Galactopyranosylcalystegine B2
4-O-alpha-D-Galactopyranosylcalystegine B2 is found in fruits. 4-O-alpha-D-Galactopyranosylcalystegine B2 is an alkaloid from the fruit of Morus alba (white mulberry). Alkaloid from the fruit of Morus alba (white mulberry). 4-O-alpha-D-Galactopyranosylcalystegine B2 is found in fruits.
6-oxo-famciclovir
6-oxo-famciclovir is a metabolite of famciclovir. Famciclovir is a guanine analogue antiviral drug used for the treatment of various herpesvirus infections, most commonly for herpes zoster (shingles). It is a prodrug form of penciclovir with improved oral bioavailability. Famciclovir is marketed under the trade name Famvir. On August 24, 2007, the United States Food and Drug Administration approved the first generic version of famciclovir. (Wikipedia)
Dodeca-3,6,9-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-3,6,9-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-3,6,9-trienoic 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. Dodeca-3,6,9-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-3,6,9-trienoylcarnitine 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].
Dodeca-2,5,8-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-2,5,8-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-2,5,8-trienoic 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. Dodeca-2,5,8-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-2,5,8-trienoylcarnitine 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].
(4E,6E,10E)-Dodeca-4,6,10-trienoylcarnitine
C19H31NO4 (337.22529660000004)
(4E,6E,10E)-Dodeca-4,6,10-trienoylcarnitine is an acylcarnitine. More specifically, it is an (4E,6E,10E)-dodeca-4,6,10-trienoic 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. (4E,6E,10E)-Dodeca-4,6,10-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4E,6E,10E)-Dodeca-4,6,10-trienoylcarnitine 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].
Dodeca-4,6,8-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-4,6,8-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-4,6,8-trienoic 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. Dodeca-4,6,8-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-4,6,8-trienoylcarnitine 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].
Dodeca-4,7,10-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-4,7,10-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-4,7,10-trienoic 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. Dodeca-4,7,10-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-4,7,10-trienoylcarnitine 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].
Dodeca-2,4,6-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-2,4,6-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-2,4,6-trienoic 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. Dodeca-2,4,6-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-2,4,6-trienoylcarnitine 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].
Dodeca-3,5,7-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-3,5,7-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-3,5,7-trienoic 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. Dodeca-3,5,7-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-3,5,7-trienoylcarnitine 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].
Dodeca-6,8,10-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-6,8,10-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-6,8,10-trienoic 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. Dodeca-6,8,10-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-6,8,10-trienoylcarnitine 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].
Dodeca-5,7,9-trienoylcarnitine
C19H31NO4 (337.22529660000004)
Dodeca-5,7,9-trienoylcarnitine is an acylcarnitine. More specifically, it is an dodeca-5,7,9-trienoic 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. Dodeca-5,7,9-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodeca-5,7,9-trienoylcarnitine 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].
Posiphen
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
3-Quinuclidinyl benzilate
C21H23NO3 (337.16778480000005)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Furylacryloylalanyllysine
C16H23N3O5 (337.16376280000003)
3-(4-t-Butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide
C21H23NO3 (337.16778480000005)
Amineptine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Danatrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists
2-[11-[3-(Dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
C21H23NO3 (337.16778480000005)
1-(4-Aminophenyl)-3-acetyl-4-methyl-3,4-dihydro-7,8-methylenedioxy-5H-2,3-benzodiazepine
H-D-Tyr-val-gly-OH
C16H23N3O5 (337.16376280000003)
Inflatine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D019141 - Respiratory System Agents
N-(p-Amylcinnamoyl)anthranilic acid
C21H23NO3 (337.16778480000005)
N(6)-Monobutyryladenosine
Oclacitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor
Pargeverine
C21H23NO3 (337.16778480000005)
Propanidid
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
1-Azabicyclo[2.2.2]octan-2-yl 2-hydroxy-2,2-diphenylacetate
C21H23NO3 (337.16778480000005)
Ractopamine hydrochloride
C18H24ClNO3 (337.14446240000007)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Leanness enhancer for pigs. Approved for use in the USA
Dehydrodicentrine
3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropan-6beta-ol
Sinomendine
An aporphine alkaloid that is 7-methyldibenzo[de,g]quinolin-7-ol carrying three additional methoxy substituents at positions 2, 8 and 9.
Amineptine
A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3,9,10-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-2-olate
3alpha-(E)-4-hydroxysenecioyloxy-6beta-senecioyloxytropane
2-O-Methyl-b-D-N-acetylneuraminic acid methyl ester
N1=C(C)C(CCCCCC)=CC1=CC1=C(OC)C=C(C=2NC=CC=2)N1
C21H27N3O (337.21540120000003)
(Xi)-beta-D-Glucopyranosyloxy-(4-isopropyl-phenyl)-acetonitril|(Xi)-beta-D-glucopyranosyloxy-(4-isopropyl-phenyl)-acetonitrile
(-)-N-Acetylnorstephalagine|N-Acetylnorstephalagin|N-acetylnorstephalagine
1-O-beta-D-glucopyranosyl-5-deoxyadenophorine|1-O-beta-D-glucopyranosyladenophorine
4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
6-Acetyl-7-methoxy-1,2-(methylenedioxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid
(6,7-dimethoxy-4-methylisoquinolinyl)-(4-methoxyphenyl)-methanone
(-)-N-acetylxylopine|6-Acetyl-9-methoxy-1,2-methylendioxy-6abeta-aporphan|6-acetyl-9-methoxy-1,2-methylenedioxy-6abeta-aporphane|N-acetylxylopine
5-hydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione
3alpha-(E)-4-hydroxysenecioyloxy-6beta-angeloyloxytropane
RCS-4 N-(4-hydroxypentyl) metabolite
C21H23NO3 (337.16778480000005)
RCS-4 N-(5-hydroxypentyl) metabolite
C21H23NO3 (337.16778480000005)
Olopatadine
C21H23NO3 (337.16778480000005)
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D018926 - Anti-Allergic Agents CONFIDENCE standard compound; INTERNAL_ID 2210 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3323
Linezolid
C16H20FN3O4 (337.14377720000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3291
N2-Isobutyryl-2-deoxyguanosine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.589 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.591 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.583 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.587
Danazol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XA - Antigonadotropins and similar agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Fenpiverinium
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid (candicidin related)
Lobron
Origin: Plant; Formula(Parent): C22H27NO2; Bottle Name:Lobeline hemisulfate; PRIME Parent Name:Lobeline; PRIME in-house No.:V0345; SubCategory_DNP: Alkaloids derived from lysine, Lobelia alkaloids
Methylmibefradil Metabolite (Acetic acid, methoxy-, 6-fluoro-1,2,3,4-tetrahydro-2-[2-(methylamino)et
C19H28FNO3 (337.20531100000005)
Arg-Tyr
C15H23N5O4 (337.17499580000003)
A dipeptide formed from L-arginine and L-tyrosine residues.
3,6-Ditigloyloxytropan-7-ol
5-Methoxynoracronycine
Lambertine
4-O-a-D-Galactopyranosylcalystegine b2
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-FLUOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
N-ethyl-N-(6-methoxyquinolin-8-yl)-N-propan-2-yl-propane-1,3-diamine
C18H28ClN3O (337.19207880000005)
Satigrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
tert-butyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-ioxaborolan-2-yl)phenylcarbamate
C17H25BFNO4 (337.18605720000005)
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidin-1-yl)propan-1-one
C21H23NO3 (337.16778480000005)
1-[CARBOXY-(4-METHYLSULFANYL-PHENYL)-METHYL]-PIPERIDINE-3-CARBOXYLICACIDETHYLESTER
(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
C21H23NO3 (337.16778480000005)
4-[(4-METHOXYBENZYLIDENE)AMINO]CINNAMIC ACID N-BUTYL ESTER
C21H23NO3 (337.16778480000005)
tert-butyl 4-(3-methoxy-4-nitrophenyl)piperazine-1-carboxylate
C16H23N3O5 (337.16376280000003)
AT7867
C20H20ClN3 (337.13456700000006)
AT7867 is a potent ATP-competitive inhibitor of Akt1/Akt2/Akt3 and p70S6K/PKA with IC50s of 32 nM/17 nM/47 nM and 85 nM/20 nM, respectively.
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-enamide
N-(4-methoxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
H-D-Tyr-Val-Gly-OH
C16H23N3O5 (337.16376280000003)
(4-METHOXY-BENZYLIDENE)-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-AMINE
N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Pargeverine
C21H23NO3 (337.16778480000005)
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
1-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)SULFONYL)PYRROLIDINE
C16H24BNO4S (337.15190140000004)
2-Naphthalenol,1-[phenyl[(phenylmethylene)amino]methyl]-
1-BENZYL-3-(3-DIETHYLAMINOPROPYLOXY)-1H-INDAZOLE
C21H27N3O (337.21540120000003)
Benzyl 1-oxo-3-phenyl-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
1-O-tert-butyl 4-O-methyl 2-(phenylmethoxycarbonylamino)butanedioate
Benzhexol hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Dobutamine hydrochloride
C18H24ClNO3 (337.14446240000007)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents Dobutamine hydrochloride is a synthetic catecholamine that acts on α1-AR, β1-AR, β2-AR (α-1, β-1 andβ-2 adrenoceptors). Dobutamine hydrochloride is a selective β1-AR agonist, relatively weak activity at α1-AR and β2-AR. Dobutamine hydrochloride can increase cardiac output and correct hypoperfusion[1][2][3][4].
Oxiperomide
C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Dizocilpine maleate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D020011 - Protective Agents Dizocilpine maleate (MK-801 maleate) is a potent, selective and non-competitive NMDA receptor antagonist with Kd of 37.2 nM in rat brain membranes.
1-Methyllysergic acid diethylamide
C21H27N3O (337.21540120000003)
(R)-(+)-trans-4-(1-Aminoethyl)-N-(4-pyridyl)cyclohexanecarboxamide Dihydrochloride Monohydrate
C14H25Cl2N3O2 (337.13237300000003)
piperidinomethyl-3-phenylboronic acid pinacol ester hydrochloride
Phenserine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
(R)-3-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-5-(hydroxyMethyl)oxazolidin-2-one
C16H21BFNO5 (337.1496738000001)
Voxelotor
C78275 - Agent Affecting Blood or Body Fluid B - Blood and blood forming organs D006401 - Hematologic Agents
ethyl 2-piperazine-4-cyclopentylethyl thiazole-5-carboxylate
tert-Butyl 4-(5-methoxy-2-nitrophenyl)piperazine-1-carboxylate
C16H23N3O5 (337.16376280000003)
(-)-Dizocilpine
(-)-Dizocilpine maleate ((-)-MK-801 maleate) is a less active (-)-enantiomer of Dizocilpine. (-)-Dizocilpine maleate is a selective and non-competitive N-methyl-D-aspartate (NMDA) receptor antagonist with a Ki of 211.7 nM. (-)-Dizocilpine maleate has antidepressant effects[1][2]. (-)-Dizocilpine maleate ((-)-MK-801 maleate) is a less active (-)-enantiomer of Dizocilpine. (-)-Dizocilpine maleate is a selective and non-competitive N-methyl-D-aspartate (NMDA) receptor antagonist with a Ki of 211.7 nM. (-)-Dizocilpine maleate has antidepressant effects[1][2].
methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate
Isoxsuprine hydrochloride
C18H24ClNO3 (337.14446240000007)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Isoxsuprine hydrochloride is a beta-adrenergic receptor agonist with Kis of 13.65 μΜ and 3.48 μΜ for myometrial and placcntal beta-adrenergic receptor, respectively. Isoxsuprine hydrochloride is also a NMDA receptor antagonist.
AMG 9810
C21H23NO3 (337.16778480000005)
N-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Tecadenoson
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Tecadenoson (CVT-510) is a selective A1 adenosine receptor agonist. Tecadenoson (CVT-510) is a selective A1 adenosine receptor agonist.
Posiphen
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System D004791 - Enzyme Inhibitors
6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
C18H19N5O2 (337.15386739999997)
N-(p-Amylcinnamoyl)anthranilic acid
C21H23NO3 (337.16778480000005)
N-(p-amylcinnamoyl) Anthranilic Acid (ACA) is a broad spectrum Phospholipase A2 (PLA2) inhibitor and TRP channel blocker[1][2]. N-(p-amylcinnamoyl) Anthranilic Acid (ACA) is also an effective reversible inhibitor of calcium-activated chloride channels, has potential to treat arrhythmia[3].
N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine
GS39783 is a positive allosteric modulator (PAM) of GABABR. Positive modulation of the GABABR can be used for the research of Nicotine addiction[1].
PF-670462 free base
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Decimemide
C19H31NO4 (337.22529660000004)
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)butanoate
C18H24ClNO3 (337.14446240000007)
1-(2,4-Dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine
[4-(Benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide
4-[2-(Dimethylamino)ethylamino]-3-benzo[h]quinolinecarboxylic acid ethyl ester
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
N-[(1,2-dimethyl-5-indolyl)methyl]-2-methyl-3-nitrobenzamide
2-Piperidinone, 1-[1-oxo-3-[4-(phenylmethoxy)phenyl]propyl]-
C21H23NO3 (337.16778480000005)
(2S)-N-[(3Z)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-YL)phenyl]propanamide
C18H19N5O2 (337.15386739999997)
Sombrevin
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Ractopamine Hydrochloride
C18H24ClNO3 (337.14446240000007)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Oclacitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor
2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
2,3,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-9-one
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-methylpyridin-2-yl)benzamide
Tabersoninium(1+)
C21H25N2O2+ (337.19159299999995)
Conjugate acid of tabersonine arising from protonation of the tertiary amino group; major species at pH 7.3.
Plaquenil
C18H28ClN3O+2 (337.19207880000005)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors
monacolin J carboxylate
A hydroxy monocarboxylic acid anion that is the conjugate base of monacolin J acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Catharanthine(1+)
C21H25N2O2+ (337.19159299999995)
An ammonium ion resulting from thr protonation of the tertiary amino group of catharanthine. D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
Dehydrosecodine(1+)
C21H25N2O2+ (337.19159299999995)
A tertiary ammonium ion result from the protonation of the tertiary amino group of dehydrosecodine (the enamine form). An intermediate in the biosynthesis of aspidospermaand iboga alkaloids.
(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-)
C20H21N2O3- (337.15520960000003)
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2,5-diaminopentyl)oxolane-3,4-diol
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol
(2S,3S)-3-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-5-oxopent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
(4E,6E,10E)-Dodeca-4,6,10-trienoylcarnitine
C19H31NO4 (337.22529660000004)
tricyclamol chloride
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
Danazol, United States PharmacopeiaReference Standard
5-amino-1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-4-triazolecarboxamide
C18H19N5O2 (337.15386739999997)
N-(1,4-Dihydroxy-4-methylpentan-2-YL)-3-hydroxy-5-oxo-6-phenylhexanamide
7-Hydroxy-8-(4-morpholinylmethyl)-3-phenyl-1-benzopyran-4-one
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide
2-hydroxy-4-oxo-1-propyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
3,4-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
C21H27N3O (337.21540120000003)
ethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1-cyclopropan]-2-yl)benzoate
4-{[4-(4-Methyl-benzyl)-piperazin-1-ylimino]-methyl}-benzoic acid
2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(dimethylamino)propyl]-1-ethylthiourea
N-(2-butan-2-ylphenyl)-7-nitro-1H-indole-2-carboxamide
2-[[2-(5,6-Dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
1-(4-Chlorophenyl)-1-cyclohexyl-3-(4-morpholinyl)-1-propanol
C19H28ClNO2 (337.18084580000004)
N-(2-methoxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
[3-[3-(5-Methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-phenylmethanone
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
(1Z)-1-[(5S)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-2,4-dioxopyrrolidin-3-ylidene]ethanolate
C20H21N2O3- (337.15520960000003)
4-[2-[[(4-Fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester
N-[2-(diethylamino)ethyl]-2-(2-furanyl)-4-quinolinecarboxamide
4-[2-[[(3-Fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester
N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(4-hydroxyphenyl)butan-2-aminium chloride
C18H24ClNO3 (337.14446240000007)
(2R,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2R,3R,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenylazetidine-1-carboxamide
(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenylazetidine-1-carboxamide
(2S,3R,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2S,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2R,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
[(8S,9S,10R)-6-methyl-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H27N3O (337.21540120000003)
[(8R,9R,10S)-6-methyl-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H27N3O (337.21540120000003)
Methyl (2E,3E,5E,7E)-13-amino-2-ethylidene-11,12-dihydroxy-4,10-dimethyl-13-oxotrideca-3,5,7-trienoate
N-hydroxy-N-[(E)-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexylidene]amino]hexanediamide
N-hydroxy-N-[(E)-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]hexanediamide
1-Acetoxy-3-(N-acetyl-2-acetoxyethylamino)-5-methoxy-2,6-dimethylbenzene
N-Trimethylsilylphenylacetylglycine trimethylsilyl ester
(E)-3-(Benzylamino)-5-phenyl-4-pentenoic acid tert-butyl ester
methyl (1R,12S,14S,15Z)-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
C21H25N2O2+ (337.19159299999995)
Kyotorphin
C15H23N5O4 (337.17499580000003)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004723 - Endorphins Kyotorphin is an endogenou neuroactive dipeptide with analgesic properties. Kyotorphin possesses anti-inflammatory and antimicrobial activity. Kyotorphin levels in cerebro-spinal fluid correlate negatively with the progression of neurodegeneration in Alzheimer's Disease patients[1].
Fenpiverinium
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Danatrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists
N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-acetamide
C16H20FN3O4 (337.14377720000005)
(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-)
C20H21N2O3 (337.15520960000003)
Conjugate base of (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione arising from deprotonation of the enolic hydroxy group; major species at pH 7.3.
(-)-Lobeline
An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position.
angryline(1+)
C21H25N2O2 (337.19159299999995)
A methyl ester resulting from the formal condensation of the carboxy group of (5S,12bR,12cS)-7-carboxy-1-ethyl-3,6,8,12c-tetrahydro-4H-5,12b-ethanoindolo[3,2-a]quinolizin-5-ium with methanol.
AcCa(12:3)
C19H31NO4 (337.22529660000004)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
ISAM-140
ISAM-140 (22b) is a potent and highly selective A2B adenosine receptor antagonist with a Ki of 3.49 nM[1].
S1RA
S1RA (E-52862) is a highly selective σ1 receptor (σ1R) antagonist with Kis of 17 nM and 23.5 nM for human σ1R and guinea pig σ1R, respectively. S1RA has Moderate antagonistic activity for human 5-HT2B receptor (Ki= 328 nM). S1RA has antinociceptive effects in neuropathic pain models. S1RA prevents mechanical and cold hypersensitivity in Oxaliplatin (HY-17371)-treated mice[1][2].
3-hydroxy-4-methyl-3'-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
(2s,3s,4r,5r)-2-[(2e,4e,6e)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl 2-aminoacetate
C19H31NO4 (337.22529660000004)
10-hydroxy-12-methoxy-2,2,11-trimethyl-1-oxa-11-azatetracen-6-one
(1r,5r,7r,8r,12s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
2,10-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)trideca-1,5-diene-3,11-diol
(1s,4z,6r,7s,11r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
6,7-dimethoxy-1-(4-methoxybenzoyl)-4-methylisoquinoline
(1r,3r,5s,6r)-8-methyl-6-[(3-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-4-hydroxy-3-methylbut-2-enoate
(1r,4s,6s,7s,17r)-4-ethyl-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,4e,6r,7r,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 5-ethyl-2,3-dimethyl-6-oxooxane-2-carboxylate
(1r,3s,5s,6r,7r)-7-hydroxy-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2z)-2-methylbut-2-enoate
(1s,24s)-24-methyl-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaene
1-[(1s,2r)-1-amino-2-{[(1r,2s)-2-amino-1-hydroxy-2-(4-oxopyridin-1-yl)ethyl](hydroxy)amino}-2-hydroxyethyl]pyridin-4-one
(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
{"Ingredient_id": "HBIN009621","Ingredient_name": "(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one","Alias": "(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-2-tetrahydrofuranyl]-2'-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-oxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3-[(2S,4S)-5-keto-4-methyl-tetrahydrofuran-2-yl]-3'-methyl-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]-2'-one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-tetrahydrofuran-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]-2'-one","Ingredient_formula": "C18H27NO5","Ingredient_Smile": "NA","Ingredient_weight": "337.41","OB_score": "85.51848529","CAS_id": "885056-81-5","SymMap_id": "SMIT10570","TCMID_id": "NA","TCMSP_id": "MOL009441","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-3,6-bis(tigloyloxy)tropane
{"Ingredient_id": "HBIN013226","Ingredient_name": "7-hydroxy-3,6-bis(tigloyloxy)tropane","Alias": "NA","Ingredient_formula": "C18H27NO5","Ingredient_Smile": "CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)C(=CC)C)O","Ingredient_weight": "337.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9855","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21159066","DrugBank_id": "NA"}
atalaphyllidine; 11,12-n,o-di-me
{"Ingredient_id": "HBIN017269","Ingredient_name": "atalaphyllidine; 11,12-n,o-di-me","Alias": "NA","Ingredient_formula": "C20H19NO4","Ingredient_Smile": "NA","Ingredient_weight": "337.37","OB_score": "NA","CAS_id": "51179-68-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6507","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2s,4ar,5'r,8s,8ar)-5'-benzyl-2'-hydroxy-2,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2h,5'h-spiro[naphthalene-1,3'-pyrrol]-4'-one
(1r,2s,3r,5s,6r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,6-triol
(2s,3r,4s,5s)-2-[(2e,4e,6e)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl 2-aminoacetate
C19H31NO4 (337.22529660000004)
(2s,3r,3's,4r,9'as)-3-hydroxy-4-methyl-3'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
(1e,3s,5z,10s,11r)-2,10-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)trideca-1,5-diene-3,11-diol
(9s)-10-acetyl-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
6'-hydroxy-4-methyl-3'-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
1-[(9s)-16-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl]butan-1-one
C21H23NO3 (337.16778480000005)
(1r,5r,7r,8s,12s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
(1r,3r,5s,6s,7r)-7-hydroxy-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2e)-2-methylbut-2-enoate
4-[(8ar)-6-(4-hydroxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-2-methoxyphenol
C21H23NO3 (337.16778480000005)
1-[(12r)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-yl]ethanone
(1r,4z,6r,7s,11s,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
[(1s,7r)-7-{[(2e)-2-methylbut-2-enoyl]oxy}-hexahydro-1h-pyrrolizin-1-yl]methyl (2z)-2-(hydroxymethyl)but-2-enoate
1-[(12s,13r)-13-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-yl]ethanone
(7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl 5-ethyl-2,3-dimethyl-6-oxooxane-2-carboxylate
4-[6-(4-hydroxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-2-methoxyphenol
C21H23NO3 (337.16778480000005)
7-hydroxy-8-methyl-3-[(2-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 2-methylbut-2-enoate
(4z,11s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
8-methyl-6-[(3-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methylbut-2-enoate
(1r,4e,7r,8r,12s,18r)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadec-4-ene-3,9-dione
(2s,3's,4r,6'r,9'as)-6'-hydroxy-4-methyl-3'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-(hydroxymethyl)but-2-enoate
15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
17-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19)-hexaen-18-one
(1r,4z,6r,7r,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(17s)-17-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19)-hexaen-18-one
(1r,3r,5s,6r)-8-methyl-6-{[(2z)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-4-hydroxy-3-methylbut-2-enoate
10-acetyl-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
(1r,4z,6r,7s,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
1-[(2r)-2-hydroxypropyl]-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione
C21H23NO3 (337.16778480000005)
1-{16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-yl}ethanone
1-(2-hydroxypropyl)-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione
C21H23NO3 (337.16778480000005)
4-ethylidene-7-hydroxy-7-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,6,8-trione
3,4,11-trimethoxy-7,8-dihydro-6-azatetraphen-10-one
14,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10-carbaldehyde
8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadec-4-ene-3,9-dione
(1r,4e,7r,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(1s,24r)-24-methyl-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaene
5-[(4-hexyl-5-methylpyrrol-2-ylidene)methyl]-4-methoxy-1h,1'h-2,2'-bipyrrole
C21H27N3O (337.21540120000003)
5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
(1r,4z,6s,7r,11s,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(1r,3s,5s,6r,7r)-7-hydroxy-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2e)-2-methylbut-2-enoate
1-{17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-yl}ethanone
14,15-dimethoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-5,16-diol
4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
{9-hydroxy-3,5-dimethyl-11h-pyrano[3,2-a]carbazol-3-yl}methyl acetate
1-{3-[1-(1h-indol-3-ylmethyl)piperidin-2-yl]-5,6-dihydro-4h-pyridin-1-yl}ethanone
C21H27N3O (337.21540120000003)
3-methanesulfonyl-n-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)prop-2-enimidic acid
24-methyl-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaene
1-[(12r)-7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl]ethanone
(1r,4e,7s,8s,12s,18r)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadec-4-ene-3,9-dione
(1r,4e,6s,7r,11r,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
1-{3-[(2r)-1-(1h-indol-3-ylmethyl)piperidin-2-yl]-5,6-dihydro-4h-pyridin-1-yl}ethanone
C21H27N3O (337.21540120000003)
(1r,4s,6s,7s,11s,17r,18r)-4-hydroxy-6,7,18-trimethyl-2,9-dioxa-14-azatetracyclo[9.5.1.1⁴,⁷.0¹⁴,¹⁷]octadecane-3,8-dione
(1r,5s,7r,8r,12s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
1-{7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl}ethanone
(1r,24s)-24-methyl-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaene
[(1s,7r,7ar)-7-{[(2e)-2-methylbut-2-enoyl]oxy}-hexahydro-1h-pyrrolizin-1-yl]methyl (2z)-2-(hydroxymethyl)but-2-enoate
(1s,4e,7r,8s,12r,18s)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadec-4-ene-3,9-dione
(1r,5s,7r,8r,12r,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2(10),3,8,11,16,18-heptaene
16-hydroxy-14,15-dimethoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,6,9(17),11,13,15-heptaen-5-one
(2e)-3-methanesulfonyl-n-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)prop-2-enimidic acid
3-[(2z)-4-{4-[(acetyloxy)methyl]-4-hydroxycyclohexyl}-5-oxofuran-2-ylidene]-2-methylpropanimidic acid
2-[(2s,6r)-6-[(2r)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
2,3,11-trimethoxy-7,8-dihydro-6-azatetraphen-10-one
(1r,5s,7r,8s,12s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
[(3r)-9-hydroxy-3,5-dimethyl-11h-pyrano[3,2-a]carbazol-3-yl]methyl acetate
(1r,4z,7s,8s,12s,18r)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadec-4-ene-3,9-dione
4-ethyl-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
5,7-dihydroxy-2-phenyl-6-(piperidin-2-yl)chromen-4-one
1-(1-amino-2-{[2-amino-1-hydroxy-2-(4-oxopyridin-1-yl)ethyl](hydroxy)amino}-2-hydroxyethyl)pyridin-4-one
6-hydroxy-4-isopropyl-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
8-methyl-6-[(2-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methylbut-2-enoate
(1r,4z,6r,7r,11r,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
3-(4-{4-[(acetyloxy)methyl]-4-hydroxycyclohexyl}-5-oxofuran-2-ylidene)-2-methylpropanimidic acid
9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxononanoic acid
5-{[(2z)-4-hexyl-5-methylpyrrol-2-ylidene]methyl}-4-methoxy-1h,1'h-2,2'-bipyrrole
C21H27N3O (337.21540120000003)