Exact Mass: 355.19697440000004
Exact Mass Matches: 355.19697440000004
Found 443 metabolites which its exact mass value is equals to given mass value 355.19697440000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tetrahydropalmatine
Tetrahydropalmatine is a berberine alkaloid obtained by formal addition of two molecules of hydrogen to the pyridine ring of palmatine. It has a role as an adrenergic agent, a non-narcotic analgesic and a dopaminergic antagonist. It is a berberine alkaloid, an organic heterotetracyclic compound and an an (S)-7,8,13,14-tetrahydroprotoberberine. It is functionally related to a palmatine. Tetrahydropalmatine is under investigation in clinical trial NCT02118610 (Treatment of Schizophrenia With L-tetrahydropalmatine (l-THP): a Novel Dopamine Antagonist With Anti-inflammatory and Antiprotozoal Activity). Tetrahydropalmatine is a natural product found in Corydalis heterocarpa, Ceratocapnos heterocarpa, and other organisms with data available. A berberine alkaloid obtained by formal addition of two molecules of hydrogen to the pyridine ring of palmatine. Tetrahydropalmatine (THP) is an isoquinoline alkaloid found in several different plant species, mainly in the genus Corydalis (Yan Hu Suo),[1][2] but also in other plants such as Stephania rotunda.[3] These plants have traditional uses in Chinese herbal medicine. The pharmaceutical industry has synthetically produced the more potent enantiomer Levo-tetrahydropalmatine (Levo-THP), which has been marketed worldwide under different brand names as an alternative to anxiolytic and sedative drugs of the benzodiazepine group and analgesics such as opiates. It is also sold as a dietary supplement. In 1940, a Vietnamese scientist Sang Dinh Bui extracted an alkaloid from the root of Stephania rotunda with the yield of 1.2–1.5\\\\\\\% and he named this compound rotundine. From 1950 to 1952, two Indian scientists studied and extracted from Stephania glabra another alkaloid named hyndanrine. In 1965, the structure of rotundine and hyndarin was proved to be the same as tetrahydropalmatine. Tetrahydropalmatine has been demonstrated to possess analgesic effects and may be beneficial in the treatment of heart disease and liver damage.[5][6] It is a blocker of voltage-activated L-type calcium channel active potassium channels.[citation needed] It is a potent muscle relaxant.[citation needed] It has also shown potential in the treatment of drug addiction to both cocaine and opiates, and preliminary human studies have shown promising results.[7][8][9] The pharmacological profile of l-THP includes antagonism of dopamine D1, and D2 receptors as well as actions at dopamine D3, alpha adrenergic and serotonin receptors. The Ki values for l-THP at D1 and D2 dopamine receptors are approximately 124 nM (D1) and 388 nM (D2). In addition to the antagonism of post-synaptic dopamine receptors, the blockade of pre-synaptic autoreceptors by l-THP results in increased dopamine release, and it has been suggested that lower affinity of l-THP for D2 receptors may confer some degree of autoreceptor selectivity. Along with dopamine receptors, l-THP has been reported to interact with a number of other receptor types, including alpha-1 adrenergic receptors, at which it functions as an antagonist, and GABA-A receptors, through positive allosteric modulation. Additionally, l-THP displays significant binding to 5-HT1A and alpha-2 adrenergic receptors. In the case of 5-HT1A receptors, l-THP binds with a Ki of approximately 340 nM.[10] Animal experiments have shown that the sedative effect of THP results from blocking dopaminergic neurons in the brain. Dopamine is an important neurotransmitter in the central nervous system where it occurs in several important signaling systems that regulate muscular activity and attention, as well as feelings of joy, enthusiasm, and creativity. Therefore, THP causes no feelings of euphoria, and has been seen as an alternative to addictive drugs for people suffering from anxiety and pain, and as a possibility for relief for people not helped by existing drugs.[citation needed] Several cases of poisoning related to THP have been reported.[11] These cases involved negative effects on respiration, cardiac activity, and the nervous system. In addition, chronic hepatitis has been reported, caused by THP production in East Asia under conditions that were insufficiently sterile. Fatalities started to be reported in 1999 in cases where THP had been used in combination with other drugs having analgesic and anti-anxiety effects. All 1999 deaths could be tied to a single THP-based supplement, sold under the name "Jin Bu Huan Anodyne Tablets". Toxicity with even Jin Bu Huan has been reported.[12] This product was therefore blacklisted by US and European health authorities. In some other countries, such as Singapore, THP is treated as a controlled substance, and license is required to sell it.[citation needed] Rotundine is an antagonist of dopamine D1, D2 and D3 receptors with IC50s of 166 nM, 1.4 μM and 3.3 μM, respectively. Rotundine is also an antagonist of 5-HT1A with an IC50 of 370 nM. Rotundine is an antagonist of dopamine D1, D2 and D3 receptors with IC50s of 166 nM, 1.4 μM and 3.3 μM, respectively. Rotundine is also an antagonist of 5-HT1A with an IC50 of 370 nM. Rotundine is an antagonist of dopamine D1, D2 and D3 receptors with IC50s of 166 nM, 1.4 μM and 3.3 μM, respectively. Rotundine is also an antagonist of 5-HT1A with an IC50 of 370 nM. Tetrahydropalmatine possesses analgesic effects. Tetrahydropalmatine acts through inhibition of amygdaloid release of dopamine to inhibit an epileptic attack in rats[1]. Tetrahydropalmatine possesses analgesic effects. Tetrahydropalmatine acts through inhibition of amygdaloid release of dopamine to inhibit an epileptic attack in rats[1]. Tetrahydropalmatine possesses analgesic effects. Tetrahydropalmatine acts through inhibition of amygdaloid release of dopamine to inhibit an epileptic attack in rats[1].
Glaucine
(S)-glaucine is an aporphine alkaloid that is (S)-1,2,9,10-tetrahydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline in which the four phenolic hydrogens have been replaced by methyl groups. It has a role as a platelet aggregation inhibitor, a NF-kappaB inhibitor, an antitussive, an antibacterial agent, a muscle relaxant, an antineoplastic agent, a plant metabolite and a rat metabolite. It is an aporphine alkaloid, a polyether, an organic heterotetracyclic compound and a tertiary amino compound. It is a conjugate base of a (S)-glaucine(1+). Glaucine is a natural product found in Sarcocapnos baetica, Sarcocapnos saetabensis, and other organisms with data available. An aporphine alkaloid that is (S)-1,2,9,10-tetrahydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline in which the four phenolic hydrogens have been replaced by methyl groups. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D019141 - Respiratory System Agents > D000996 - Antitussive Agents D020011 - Protective Agents > D000975 - Antioxidants D002491 - Central Nervous System Agents Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Aporphine alkaloids Glaucine (O,O-Dimethylisoboldine) is an alkaloid isolated from Glaucium flavum with antitussive, bronchodilation and anti-inflammatory properties. Glaucine is a selective and orally active phosphodiesterase 4 (PDE4) inhibitor with Kis of 3.4 μM in human bronchus and polymorphonuclear leukocytes. Glaucine is also a non-selective α-adrenoceptor antagonist, a Ca2+ entry blocker, and a weak dopamine D1 and D2 receptor antagonist. Glaucine has antioxidative and antiviral activities[1][2][3]. Glaucine (O,O-Dimethylisoboldine) is an alkaloid isolated from Glaucium flavum with antitussive, bronchodilation and anti-inflammatory properties. Glaucine is a selective and orally active phosphodiesterase 4 (PDE4) inhibitor with Kis of 3.4 μM in human bronchus and polymorphonuclear leukocytes. Glaucine is also a non-selective α-adrenoceptor antagonist, a Ca2+ entry blocker, and a weak dopamine D1 and D2 receptor antagonist. Glaucine has antioxidative and antiviral activities[1][2][3]. Glaucine (O,O-Dimethylisoboldine) is an alkaloid isolated from Glaucium flavum with antitussive, bronchodilation and anti-inflammatory properties. Glaucine is a selective and orally active phosphodiesterase 4 (PDE4) inhibitor with Kis of 3.4 μM in human bronchus and polymorphonuclear leukocytes. Glaucine is also a non-selective α-adrenoceptor antagonist, a Ca2+ entry blocker, and a weak dopamine D1 and D2 receptor antagonist. Glaucine has antioxidative and antiviral activities[1][2][3].
S-Adenosylmethioninamine
C14H23N6O3S+ (355.15522680000004)
S-Adenosylmethioninamine is a biological sulfonium compound known as the major biological methyl donor. It is also a donor of methylene groups, amino groups, ribosyl groups and aminopropyl groups (PMID 15130560). S-Adenosylmethioninamine is a prodcut of enzyme adenosylmethionine decarboxylase [EC 4.1.1.50] in methionine metabolism pathway (KEGG). [HMDB] S-Adenosylmethioninamine is a biological sulfonium compound known as the major biological methyl donor. It is also a donor of methylene groups, amino groups, ribosyl groups and aminopropyl groups (PMID 15130560). S-Adenosylmethioninamine is a prodcut of enzyme adenosylmethionine decarboxylase [EC 4.1.1.50] in methionine metabolism pathway (KEGG).
Pipercide
Alkaloid from the aerial parts of Piper retrofractum (Javanese long pepper) and the fruits of Piper nigrum (pepper). Pipercide is found in herbs and spices and pepper (spice). Pipercide is found in herbs and spices. Pipercide is an alkaloid from the aerial parts of Piper retrofractum (Javanese long pepper) and the fruits of Piper nigrum (pepper). Pipercide is a member of benzodioxoles. Pipercide is a natural product found in Piper mullesua, Piper retrofractum, and other organisms with data available.
LysoPC(6:0/0:0)
C14H30NO7P (355.17598000000004)
Lysopc(6:0), also known as LPC(6:0/0:0) or 1-Caproyl-sn-glycero-3-phosphocholine, is classified as a member of the 1-acyl-sn-glycero-3-phosphocholines. 1-acyl-sn-glycero-3-phosphocholines are glycerophosphocholines in which the glycerol is esterified with a fatty acid at O-1 position, and linked at position 3 to a phosphocholine. Lysopc(6:0) is considered to be a practically insoluble (in water) and a moderately acidic compound. Lysopc(6:0) is a glycerophosphocholine lipid molecule. Lysopc(6:0) can be found in urine.
3,4-dimethylidenenonanedioylcarnitine
C18H29NO6 (355.19947740000003)
3,4-dimethylidenenonanedioylcarnitine is an acylcarnitine. More specifically, it is an 3,4-dimethylidenenonanedioic 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. 3,4-dimethylidenenonanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3,4-dimethylidenenonanedioylcarnitine 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].
3-Hydroxydodeca-6,9-dienoylcarnitine
C19H33NO5 (355.23586080000007)
3-Hydroxydodeca-6,9-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-Hydroxydodeca-6,9-dienoic 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. 3-Hydroxydodeca-6,9-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Hydroxydodeca-6,9-dienoylcarnitine 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].
3-Hydroxydodeca-5,7-dienoylcarnitine
C19H33NO5 (355.23586080000007)
3-Hydroxydodeca-5,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-Hydroxydodeca-5,7-dienoic 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. 3-Hydroxydodeca-5,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Hydroxydodeca-5,7-dienoylcarnitine 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].
5-Hydroxydodeca-7,9-dienoylcarnitine
C19H33NO5 (355.23586080000007)
5-Hydroxydodeca-7,9-dienoylcarnitine is an acylcarnitine. More specifically, it is an 5-Hydroxydodeca-7,9-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-Hydroxydodeca-7,9-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydodeca-7,9-dienoylcarnitine 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].
3-Hydroxydodeca-7,10-dienoylcarnitine
C19H33NO5 (355.23586080000007)
3-Hydroxydodeca-7,10-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-Hydroxydodeca-7,10-dienoic 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. 3-Hydroxydodeca-7,10-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Hydroxydodeca-7,10-dienoylcarnitine 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].
2-Hydroxydodeca-5,8-dienoylcarnitine
C19H33NO5 (355.23586080000007)
2-Hydroxydodeca-5,8-dienoylcarnitine is an acylcarnitine. More specifically, it is an 2-Hydroxydodeca-5,8-dienoic 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. 2-Hydroxydodeca-5,8-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Hydroxydodeca-5,8-dienoylcarnitine 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].
6-Hydroxydodeca-8,10-dienoylcarnitine
C19H33NO5 (355.23586080000007)
6-Hydroxydodeca-8,10-dienoylcarnitine is an acylcarnitine. More specifically, it is an 6-Hydroxydodeca-8,10-dienoic 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. 6-Hydroxydodeca-8,10-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Hydroxydodeca-8,10-dienoylcarnitine 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].
(6E,10E)-3-Hydroxydodeca-6,10-dienoylcarnitine
C19H33NO5 (355.23586080000007)
(6E,10E)-3-Hydroxydodeca-6,10-dienoylcarnitine is an acylcarnitine. More specifically, it is an (6E,10E)-3-Hydroxydodeca-6,10-dienoic 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. (6E,10E)-3-Hydroxydodeca-6,10-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (6E,10E)-3-Hydroxydodeca-6,10-dienoylcarnitine 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].
4-Hydroxydodeca-6,8-dienoylcarnitine
C19H33NO5 (355.23586080000007)
4-Hydroxydodeca-6,8-dienoylcarnitine is an acylcarnitine. More specifically, it is an 4-Hydroxydodeca-6,8-dienoic 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. 4-Hydroxydodeca-6,8-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Hydroxydodeca-6,8-dienoylcarnitine 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].
2-Hydroxydodeca-4,6-dienoylcarnitine
C19H33NO5 (355.23586080000007)
2-Hydroxydodeca-4,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 2-Hydroxydodeca-4,6-dienoic 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. 2-Hydroxydodeca-4,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Hydroxydodeca-4,6-dienoylcarnitine 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].
2-Oxo-3-hydroxy-lysergide
2-[[10-(2-Hydroxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol
Cyprodime
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dibutylamino)ethyl)-
C21H29N3S (355.20820740000005)
Glaucine
Glaucine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Glaucine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Glaucine can be found in barley and custard apple, which makes glaucine a potential biomarker for the consumption of these food products. Glaucine has bronchodilator and antiinflammatory effects, acting as a PDE4 inhibitor and calcium channel blocker, and is used medically as an antitussive in some countries. Glaucine may produce side effects such as sedation, fatigue, and a hallucinogenic effect characterised by colourful visual images, and has been detected as a novel psychoactive drug . Glaucine (O,O-Dimethylisoboldine) is an alkaloid isolated from Glaucium flavum with antitussive, bronchodilation and anti-inflammatory properties. Glaucine is a selective and orally active phosphodiesterase 4 (PDE4) inhibitor with Kis of 3.4 μM in human bronchus and polymorphonuclear leukocytes. Glaucine is also a non-selective α-adrenoceptor antagonist, a Ca2+ entry blocker, and a weak dopamine D1 and D2 receptor antagonist. Glaucine has antioxidative and antiviral activities[1][2][3]. Glaucine (O,O-Dimethylisoboldine) is an alkaloid isolated from Glaucium flavum with antitussive, bronchodilation and anti-inflammatory properties. Glaucine is a selective and orally active phosphodiesterase 4 (PDE4) inhibitor with Kis of 3.4 μM in human bronchus and polymorphonuclear leukocytes. Glaucine is also a non-selective α-adrenoceptor antagonist, a Ca2+ entry blocker, and a weak dopamine D1 and D2 receptor antagonist. Glaucine has antioxidative and antiviral activities[1][2][3]. Glaucine (O,O-Dimethylisoboldine) is an alkaloid isolated from Glaucium flavum with antitussive, bronchodilation and anti-inflammatory properties. Glaucine is a selective and orally active phosphodiesterase 4 (PDE4) inhibitor with Kis of 3.4 μM in human bronchus and polymorphonuclear leukocytes. Glaucine is also a non-selective α-adrenoceptor antagonist, a Ca2+ entry blocker, and a weak dopamine D1 and D2 receptor antagonist. Glaucine has antioxidative and antiviral activities[1][2][3].
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide
C18H21N5O3 (355.16443160000006)
(4-Methyl-1-naphthyl)-(1-pentylindol-3-yl)methanone
Moperone
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1-(1-Methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
N-[3-(1,3-Dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CJ 13536
C22H29NOS (355.19697440000004)
N1-(2-Cyanoethyl)-N1-(4-pyridylmethyl)-3,4,5-trimethoxybenzamide
C19H21N3O4 (355.15319860000005)
O1-[4-(tert-Butyl)benzoyl]-2-(4-nitrophenyl)ethanehydroximamide
C19H21N3O4 (355.15319860000005)
2-[1-(Dimethylamino)-3-methylpentyl]-5-(1H-indole-3-yl)oxazole-4-carboxylic acid
Laetispicine|N-isobutyl-11-(3,4-methylendioxyphenyl)-2E,4E,9E-undecatrienamide
6,7-dihydroxy-1,1-dimethyl-N-(6-fructopyranosyl)-1,2,3,4-tetrahydroisoquinoline
(E, E, E)-Piperstachine|Piperstachin|piperstachine
1-[(2E,4E)-11-(3,4-methylenedioxyphenyl)-2,4-undecadienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
1-[(2E,10E)-11-(3,4-methylenedioxyphenyl)-2,10-undecadienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
4-O-(2-amino-2-deoxy-beta-D-galactopyranosyl)-3-O-methyl-D-chiro-inositol|INS-2|ISN-2
3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacrylamide|beecheyamide
daphlongamine G|rel-(2aS,4aS,8S,9R,10aR,10bS,10cS)-2,2a,3,4,4a,5,7,8,9,10,10a,10b,11,12-tetradecahydro-2a-methoxy-8,10b-dimethyl-1H-9,10c-methanocyclopenta[1,8]azuleno[4,5-a]indolizine-1,13-dione
1-Hydroxymethylpyrrolizidine methyl 2-O-acetyl-2-isopropylmalate
C18H29NO6 (355.19947740000003)
N-methyl-2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethanamine
2,3,9-trimethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol
2,3,9,10-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiazano-dibenzo[a,e]cyclooctene|O,O-Dimethylmunitagin|O-methylplatycerine
5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-8-methoxy-2,2,6-trimethyl-7-((3-methyl-2-butenyl)oxy)-
Glaucine, dl
1,2,9,10-Tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is a natural product found in Sarcocapnos baetica, Sarcocapnos saetabensis, and other organisms with data available.
2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
rotundine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids Tetrahydropalmatine possesses analgesic effects. Tetrahydropalmatine acts through inhibition of amygdaloid release of dopamine to inhibit an epileptic attack in rats[1]. Tetrahydropalmatine possesses analgesic effects. Tetrahydropalmatine acts through inhibition of amygdaloid release of dopamine to inhibit an epileptic attack in rats[1]. Tetrahydropalmatine possesses analgesic effects. Tetrahydropalmatine acts through inhibition of amygdaloid release of dopamine to inhibit an epileptic attack in rats[1].
Tetrahydropalmatin
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2302 D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D-Tetrahydropalmatine is an isoquinoline alkaloid, mainly in the genus Corydalis[1]. D-Tetrahydropalmatine is a dopamine (DA) receptor antagonist with preferential affinity toward the D1 receptors[2]. D-Tetrahydropalmatine is a potent organic cation transporter 1 (OCT1) inhibitor[3]. D-Tetrahydropalmatine is an isoquinoline alkaloid, mainly in the genus Corydalis[1]. D-Tetrahydropalmatine is a dopamine (DA) receptor antagonist with preferential affinity toward the D1 receptors[2]. D-Tetrahydropalmatine is a potent organic cation transporter 1 (OCT1) inhibitor[3]. D-Tetrahydropalmatine is an isoquinoline alkaloid, mainly in the genus Corydalis[1]. D-Tetrahydropalmatine is a dopamine (DA) receptor antagonist with preferential affinity toward the D1 receptors[2]. D-Tetrahydropalmatine is a potent organic cation transporter 1 (OCT1) inhibitor[3].
SR125047
C22H26ClNO (355.17028160000007)
CONFIDENCE standard compound; INTERNAL_ID 1103; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8295; ORIGINAL_PRECURSOR_SCAN_NO 8292 CONFIDENCE standard compound; INTERNAL_ID 1103; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8301; ORIGINAL_PRECURSOR_SCAN_NO 8299 CONFIDENCE standard compound; INTERNAL_ID 1103; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8307; ORIGINAL_PRECURSOR_SCAN_NO 8302 CONFIDENCE standard compound; INTERNAL_ID 1103; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8342; ORIGINAL_PRECURSOR_SCAN_NO 8340 CONFIDENCE standard compound; INTERNAL_ID 1103; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8359; ORIGINAL_PRECURSOR_SCAN_NO 8357 CONFIDENCE standard compound; INTERNAL_ID 1103; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8356; ORIGINAL_PRECURSOR_SCAN_NO 8354
2-{2-[4[(2-Hydroxy-3-isopropylaminopropoxy)-benzyloxy]ethoxy}-propionic acid
C18H29NO6 (355.19947740000003)
Platelet-activating factor
C14H30NO7P (355.17598000000004)
PC(6:0/0:0)
C14H30NO7P (355.17598000000004)
PC(6:0/0:0)[U]
C14H30NO7P (355.17598000000004)
PC(0:0/6:0)
C14H30NO7P (355.17598000000004)
PC(0:0/6:0)[U]
C14H30NO7P (355.17598000000004)
D-Tetrahydropalmatine
D-Tetrahydropalmatine is an isoquinoline alkaloid, mainly in the genus Corydalis[1]. D-Tetrahydropalmatine is a dopamine (DA) receptor antagonist with preferential affinity toward the D1 receptors[2]. D-Tetrahydropalmatine is a potent organic cation transporter 1 (OCT1) inhibitor[3]. D-Tetrahydropalmatine is an isoquinoline alkaloid, mainly in the genus Corydalis[1]. D-Tetrahydropalmatine is a dopamine (DA) receptor antagonist with preferential affinity toward the D1 receptors[2]. D-Tetrahydropalmatine is a potent organic cation transporter 1 (OCT1) inhibitor[3]. D-Tetrahydropalmatine is an isoquinoline alkaloid, mainly in the genus Corydalis[1]. D-Tetrahydropalmatine is a dopamine (DA) receptor antagonist with preferential affinity toward the D1 receptors[2]. D-Tetrahydropalmatine is a potent organic cation transporter 1 (OCT1) inhibitor[3].
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(3-trimethoxysilylpropyl)azanium,chloride
9-ethyl-3-[n-ethyl-n-(m-tolyl)hydrazonomethyl]carbazole
5,6-Dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1H)-pyridinone
4-(Dicyanomethylene)-2-methyl-6-(julolidin-4-ylvinyl)-4H-pyran
BIS(3-TRIMETHOXYSILYLPROPYL)-N-METHYLAMINE
C13H33NO6Si2 (355.18463180000003)
(6Z)-2,4-ditert-butyl-6-[(2-nitrophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
1-butyl-3-[(4-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydroquinoline-2,5-dione
(6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoate
Pyridinium,1-tetradecyl-, bromide (1:1)
C19H34BrN (355.18744640000006)
N-(2-aminoethyl)ethane-1,2-diamine,2-(chloromethyl)oxirane,dimethyl pentanedioate
BENZYL (5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL)CARBAMATE
C18H22BN3O4 (355.17032820000003)
4-(Boc-amino)-2-fluorobenzeneboronic acid pinacol ester
[1-(4-AMINO-BENZENESULFONYL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
C16H25N3O4S (355.15656900000005)
EMIGLITATE
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C471 - Enzyme Inhibitor
1-[4-(4-Chlorobenzyl)-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidin-4-Yl]methanamine
C19H22ClN5 (355.15636420000004)
(2R)-2-{[6-(Benzyloxy)-9-isopropyl-9H-purin-2-YL]amino}butan-1-OL
Piperazine, 1-(((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(3-(methoxy-11C-methyl)-2-pyridinyl)-
N-Ethyl-N-Isopropyl-3-Methyl-5-{[(2s)-2-(Pyridin-4-Ylamino)propyl]oxy}benzamide
N-[3-(1,3-Dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
1,3-Propanediol, 2-(((10-(2-hydroxyethoxy)-9-anthracenyl)methyl)amino)-2-methyl-
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dibutylamino)ethyl)-
C21H29N3S (355.20820740000005)
Piperidine, 1-(2-methoxy-4-(methylthio)benzoyl)-4-(phenylmethyl)-
4-(4-Methylpiperazino)-2,6-diphenyl-5-pyrimidinecarbonitrile
3-Amino-5-methyl-4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-thiophenecarboxylic acid ethyl ester
C16H25N3O4S (355.15656900000005)
4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-D-ribitol
N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
His-Ala-Glu
C14H21N5O6 (355.14917660000003)
HAE is a 3-amino acid peptide which consists of histidine, alanine and glutamate.
1-[(2Z)-3-(2-chloro-3-methoxybiphenyl-4-yl)prop-2-en-1-yl]azepane
C22H26ClNO (355.17028160000007)
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
5-{4-[(3,5-Difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
7-Benzyl-1,3-dimethyl-8-piperazin-4-ium-1-ylpurine-2,6-dione
C18H23N6O2+ (355.18823979999996)
Moperone
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Hyndarin
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators Rotundine is an antagonist of dopamine D1, D2 and D3 receptors with IC50s of 166 nM, 1.4 μM and 3.3 μM, respectively. Rotundine is also an antagonist of 5-HT1A with an IC50 of 370 nM. Rotundine is an antagonist of dopamine D1, D2 and D3 receptors with IC50s of 166 nM, 1.4 μM and 3.3 μM, respectively. Rotundine is also an antagonist of 5-HT1A with an IC50 of 370 nM. Rotundine is an antagonist of dopamine D1, D2 and D3 receptors with IC50s of 166 nM, 1.4 μM and 3.3 μM, respectively. Rotundine is also an antagonist of 5-HT1A with an IC50 of 370 nM.
[[1-Amino-2-(4-nitrophenyl)ethylidene]amino] 4-tert-butylbenzoate
C19H21N3O4 (355.15319860000005)
5-Hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-3-methoxy-6-(3-methylbut-2-enyl)phenolate
(3E)-3-[(2E,4E)-1-hydroxy-4,6-dimethylocta-2,4-dienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
3,4-dimethylidenenonanedioylcarnitine
C18H29NO6 (355.19947740000003)
3-Hydroxydodeca-6,9-dienoylcarnitine
C19H33NO5 (355.23586080000007)
3-Hydroxydodeca-5,7-dienoylcarnitine
C19H33NO5 (355.23586080000007)
5-Hydroxydodeca-7,9-dienoylcarnitine
C19H33NO5 (355.23586080000007)
2-Hydroxydodeca-5,8-dienoylcarnitine
C19H33NO5 (355.23586080000007)
4-Hydroxydodeca-6,8-dienoylcarnitine
C19H33NO5 (355.23586080000007)
2-Hydroxydodeca-4,6-dienoylcarnitine
C19H33NO5 (355.23586080000007)
3-Hydroxydodeca-7,10-dienoylcarnitine
C19H33NO5 (355.23586080000007)
6-Hydroxydodeca-8,10-dienoylcarnitine
C19H33NO5 (355.23586080000007)
(6E,10E)-3-Hydroxydodeca-6,10-dienoylcarnitine
C19H33NO5 (355.23586080000007)
Martefragin A
An indole alkaloid isolated from the red alga Martensia fragilis and has been shown to inhibit lipid peroxidation.
1-[(4E,10E)-11-(3,4-methylenedioxyphenyl)-4,10-undecadienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-3-pyrrolidinol
N-[(9-ethyl-9H-carbazol-3-yl)methylene]-2-methylbenzohydrazide
1,1-Dimethyl-3-[3-(4-morpholinyl)propyl]-3-(1-naphthalenylmethyl)urea
N-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide
17-O-acetylnorajmaline(1+)
An indole alkaloid cation that is the conjugate acid of 17-O-acetylnorajmaline, obtained by protonation of the tertiary amino function. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
C18H21N5O3 (355.16443160000006)
2-(5-Chloro-2,4-dimethoxyanilino)-1-(4-ethyl-1-piperazinyl)-1-propanone
6-(3-methoxyphenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
N-hydroxy-N-[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]heptanediamide
C18H21N5O3 (355.16443160000006)
(-)-Minovincinine(1+)
An ammonium ion resulting from the protonation of the tertiary amino group of (-)-minovincinine. The major species at pH 7.3.
4-[[1,2-Dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid butyl ester
C19H21N3O4 (355.15319860000005)
3,4,5-trimethoxy-N-[(8-methyl-2-imidazo[1,2-a]pyridinyl)methyl]benzamide
C19H21N3O4 (355.15319860000005)
4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxo-N-propan-2-ylbutanamide
5,8-Dimethoxy-4-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)quinoline
C17H20F3N3O2 (355.15075360000003)
N-[2-(2,3,4-trimethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
C19H21N3O4 (355.15319860000005)
2,7-Dimethyl-5-(3-methyl-1-phenyl-4-pyrazolyl)-3,5-dihydropyrazolo[1,5-c]quinazoline
1-[(E)-1-(4-Methoxyphenyl)propan-2-ylideneamino]-3-(4-propan-2-ylphenyl)thiourea
(2E,4E,8E)-N-isobutyl-11-(3,4-methylenedioxyphenyl)undeca-2,4,8-trienamide
A natural product found in Piper boehmeriaefolium.
(3R)-3-hydroxy-2,3-dihydrotabersoninium
An indole alkaloid cation that is the conjugate acid of (3R)-3-hydroxy-2,3-dihydrotabersonine, obtained by protonation of the tertiary amino group. Major species at pH 7.3.
4-[2-[[(3,4-Difluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester
C17H23F2N3O3 (355.17073919999996)
(2S,3S,4S)-4-(hydroxymethyl)-1-(2-morpholin-4-ylacetyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
methyl 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
C15H24F3NO5 (355.16064900000003)
methyl 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
C15H24F3NO5 (355.16064900000003)
(2R,3R,4R)-4-(hydroxymethyl)-1-(2-morpholin-4-ylacetyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2R,3S,4S)-4-(hydroxymethyl)-1-(2-morpholin-4-ylacetyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
C15H24F3NO5 (355.16064900000003)
methyl 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
C15H24F3NO5 (355.16064900000003)
2-[(2R,3S,6S)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
2-[(2S,3S,6R)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
2-[(2S,3S,6S)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
C15H24F3NO5 (355.16064900000003)
cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanone
2-[(2S,3R,6R)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
2-[(2S,3R,6S)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
2-[(2R,3S,6R)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
2-[(2R,3R,6S)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
2-[(2R,3R,6R)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
C17H29N3O5 (355.21071040000004)
(2S,3S,4R)-4-(hydroxymethyl)-1-(2-morpholin-4-ylacetyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2S,3R,4R)-4-(hydroxymethyl)-1-(2-morpholin-4-ylacetyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
C15H24F3NO5 (355.16064900000003)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
C15H24F3NO5 (355.16064900000003)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
C15H24F3NO5 (355.16064900000003)
(1R,5S)-7-[4-(2-methylphenyl)phenyl]-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
[(1R)-1-(cyclopropylmethyl)-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
[(1S)-1-(cyclopropylmethyl)-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
(1R,5S)-7-[4-(2-methylphenyl)phenyl]-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanone
N(alpha)-acetyl-N(tele)-(1,4-dihydroxynonan-3-yl)-L-histidine
C17H29N3O5 (355.21071040000004)
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-3,3-dimethoxyalaninamide
10-Hydroxycoronaridine(1+)
A tertiary ammonium ion resulting from the protonation of the tertiary amino group of 10-hydroxycoronaridine. The major species at pH 7.3.
2,6-dimethyl-4-[(E)-styryl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
4-(Dimethylamino)-1-(2-hydroxyphenyl)-3-methyl-2-phenylbutan-2-yl propanoate
4-(Dimethylamino)-3-hydroxy-3-methyl-1,2-diphenylbutan-2-yl propanoate
L-alpha-Lysophosphatidylcholine, caproyl
C14H30NO7P (355.17598000000004)
(3-Heptoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] nonanoate
C14H30NO7P (355.17598000000004)
2-Aminoethyl (3-decoxy-2-hydroxypropyl) hydrogen phosphate
methyl (2S,13bS,14aS,1R,4aR)-2-hydroxy-1,2,3,4,5,8,14,13b,14a,4a-decahydrobenz o[1,2-g]indolo[2,3-a]quinolizinecarboxylate
S-Adenosylmethioninamine
C14H23N6O3S+ (355.15522680000004)
The S-adenosyl derivative of methioninamine. It acts as the aminopropyl donor in the biosynthesis of the polyamines, spermidine and spermine.
15alpha-stemmadenine(1+)
An ammonium ion resulting from the protonation of the tertiary amino group of 15alpha-stemmadenine. The major species at pH 7.3.
1-hexanoyl-sn-glycero-3-phosphocholine
C14H30NO7P (355.17598000000004)
A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as caproyl (hexanoyl).
(+)-minovincinine(1+)
An ammonium ion resulting from the protonation of the tertiary amino group of (+)-minovincinine. The major species at pH 7.3.
2-hexanoyl-sn-glycero-3-phosphocholine
C14H30NO7P (355.17598000000004)
lysophosphatidylcholine 6:0
C14H30NO7P (355.17598000000004)
A lysophosphatidylcholine in which the remaining acyl group is specified as hexanoyl (caproyl). If R1 is the acyl group and R2 is a hydrogen then the molecule is a 1-acyl-sn-glycero-3-phosphocholine. If R1 is a hydrogen and R2 is the acyl group then the molecule is a 2-acyl-sn-glycero-3-phosphocholine.
2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
An isoquinoline alkaloid that is 13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene substituted at positions 2, 3, 8 and 9 by methoxy groups.
(1r,5r,6s,11r,12s,14s,17s,20s,21s)-21-hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.0¹,¹¹.0⁵,²⁰.0⁶,¹⁰.0¹²,¹⁷.0¹⁷,²¹]docosan-19-one
(1s,9s)-3,4,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene
methyl 2-(carbamoylformamido)-3-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]prop-2-enoate
C19H21N3O4 (355.15319860000005)
4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.6.2.0²,⁷.0¹⁰,¹⁵]heptadeca-2(7),3,5,10,12,14-hexaene
(5r,12bs)-3,10,11-trimethoxy-5-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-2-ol
(3r,3as,9as)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-3h,3ah,4h-furo[3,2-g]isoquinoline-2,9-dione
(2s,4s,6z)-1-[(5z)-2,4-dihydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-3-yl]-2,4-dimethyloct-6-en-1-one
(1r,2r,5r,7s,8r,9r,10r,13r,17r)-11-ethyl-7-hydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecane-4,16-dione
(12bs,13r)-3,4,11-trimethoxy-13-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-10-ol
[(3r,3ar,3br,4r,8ar)-4-hydroxy-3-(2-hydroxypropan-2-yl)-2-oxo-hexahydro-3h-furo[3,2-a]pyrrolizin-3a-yl]methyl 3-methylbutanoate
C18H29NO6 (355.19947740000003)
(2-{1,2-dimethoxy-5h,6h,9h-phenanthro[2,3-d][1,3]dioxol-4-yl}ethyl)dimethylamine
(1s,2s,3r,5r,6s,10s,13s)-13-methoxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-16(19)-ene-15,20-dione
3,4,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene
(2e,4e,10e)-11-(2h-1,3-benzodioxol-4-yl)-n-(2-methylpropyl)undeca-2,4,10-trienimidic acid
(2s,4s,6e)-1-[(5z)-2,4-dihydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-3-yl]-2,4-dimethyloct-6-en-1-one
(4e)-5-hydroxy-4-[(2s,4s)-1-hydroxy-2,4-dimethyloct-6-en-1-ylidene]-2-[(4-hydroxyphenyl)methylidene]pyrrol-3-one
104387-15-7
{"Ingredient_id": "HBIN000035","Ingredient_name": "104387-15-7","Alias": "6H-Dibenzo(a,g)quinolizin-10-ol, 5,8,13,13a-tetrahydro-2,3,9-trimethoxy-13-methyl-, (13S-trans)-; (13S,13aR)-2,3,9-trimethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-10-ol","Ingredient_formula": "C21H25NO4","Ingredient_Smile": "CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)O)OC)OC","Ingredient_weight": "355.4 g/mol","OB_score": "24.8713867","CAS_id": "104387-15-7","SymMap_id": "SMIT06191","TCMID_id": "NA","TCMSP_id": "MOL004235","TCM_ID_id": "NA","PubChem_id": "128558","DrugBank_id": "NA"}
11-methoxygelsemamide
{"Ingredient_id": "HBIN000466","Ingredient_name": "11-methoxygelsemamide","Alias": "NA","Ingredient_formula": "C21H25NO4","Ingredient_Smile": "CC=C1CN2C3CC(C2=O)(C4CC1C3CO4)C5=C(C=C(C=C5)O)COC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13931","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-dihydroxy-1,1-dimethyl-n-(6'-fructopyra-nosyl)-1,2,3,4-tetrahydroisoquinoline
{"Ingredient_id": "HBIN012060","Ingredient_name": "6,7-dihydroxy-1,1-dimethyl-n-(6'-fructopyra-nosyl)-1,2,3,4-tetrahydroisoquinoline","Alias": "NA","Ingredient_formula": "C17H25NO7","Ingredient_Smile": "CC1(C2=CC(=C(C=C2CCN1CC3(C(C(C(CO3)O)O)O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5853","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(–)-argemonine
{"Ingredient_id": "HBIN016712","Ingredient_name": "(\u2013)-argemonine","Alias": "NA","Ingredient_formula": "C21H25NO4","Ingredient_Smile": "CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1667","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
n-{2-[2-(3,6-dihydroxy-5-methyl-5h-pyrazin-2-ylidene)acetyl]phenyl}-2,2-dimethylbut-3-enimidic acid
C19H21N3O4 (355.15319860000005)
(9r,12s)-14,15,16-trimethoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-12-ol
(2e,4e,6r)-1-[(5r)-2,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]-5h-pyrrol-3-yl]-4,6-dimethylocta-2,4-dien-1-one
4-(4-hydroxyphenyl)-6,8,10-trimethyl-6h,6ah,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridine-1,9-diol
(2r,3r,4s,5s,6r)-2-(hydroxymethyl)-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)piperidine-3,4,5-triol
(1r,9s)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.6.2.0²,⁷.0¹⁰,¹⁵]heptadeca-2(7),3,5,10,12,14-hexaene
(1s,2s,4s,9r,10s)-16-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-13-en-4-yl 1h-pyrrole-2-carboxylate
6-(diazyn-1-ium-1-yl)-4-[(2e)-4,6-dimethylhept-2-en-2-yl]-2-hydroxy-3-methyl-5,8-dioxoquinolin-7-olate
C19H21N3O4 (355.15319860000005)
4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene
[(7s,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylpentanoate
C18H29NO6 (355.19947740000003)
(1r,2r,4as,8as)-2-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboximidic acid
(2r,3r,4s,5s,6r)-2-[(2s)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(3s)-3-amino-6-carbamimidamido-n-[(5r)-4-hydroxy-2-(c-hydroxycarbonimidoylamino)-5,6-dihydropyrimidin-5-yl]-n-methylhexanamide
(2s)-5-hydroxy-4-[(2e,4e,6r)-1-hydroxy-4,6-dimethylocta-2,4-dien-1-ylidene]-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one
3-methylbut-2-en-1-yl 4-methoxy-8-[(3-methylbut-2-en-1-yl)oxy]quinoline-2-carboxylate
2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0⁵,⁸.0¹⁶,¹⁹]icos-13(19)-ene-17-carboxylic acid
(2z,4e)-5-hydroxy-4-[(2r,4r,6z)-1-hydroxy-2,4-dimethyloct-6-en-1-ylidene]-2-[(4-hydroxyphenyl)methylidene]pyrrol-3-one
3,10,11-trimethoxy-5-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-4-ol
n,n-dimethyl-2-(3,4,8-trimethoxyphenanthren-1-yl)ethanamine oxide
21-hydroxy-5,15-dimethyl-7-oxa-10-azaheptacyclo[12.6.2.0¹,¹¹.0⁵,²⁰.0⁶,¹⁰.0¹²,¹⁷.0¹⁷,²¹]docos-15-en-19-one
16-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadec-13-en-4-yl 1h-pyrrole-2-carboxylate
2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-13(19)-ene-17-carboxylic acid
(2e,4e,10e)-11-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)undeca-2,4,10-trienimidic acid
(2s)-5-carbamimidamido-2-[(2-{[(1s)-1-carboxy-2-(3h-imidazol-4-yl)ethyl]amino}ethyl)amino]pentanoic acid
(3'as,6'r,6'ar)-3'a,6'a-dihydroxy-2'-imino-6'-(4-methoxyphenyl)-3'-methyl-4',6'-dihydro-1'h-spiro[cyclohexane-1,5'-cyclopenta[d]imidazole]-2,5-dien-4-one
C19H21N3O4 (355.15319860000005)
4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
2-(hydroxymethyl)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)piperidine-3,4,5-triol
13-methoxy-2,6-dimethyl-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]icos-16(19)-ene-15,20-dione
(2e)-3-(3,4-dimethoxyphenyl)-n-[2-(4-methoxyphenyl)ethyl]-n-methylprop-2-enamide
(9s)-4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
(6r)-1-[(5r)-2,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]-5h-pyrrol-3-yl]-4,6-dimethylocta-2,4-dien-1-one
(4e)-5-hydroxy-4-[(2r,4r)-1-hydroxy-2,4-dimethyloct-6-en-1-ylidene]-2-[(4-hydroxyphenyl)methylidene]pyrrol-3-one
[(7r,7ar)-7-(propanoyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate
C18H29NO6 (355.19947740000003)
(1s)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene
2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methyl-1-[(methylsulfanyl)methyl]quinolin-4-one
C22H29NOS (355.19697440000004)
(12br,13r)-3,4,11-trimethoxy-13-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-10-ol
(12br)-2,3,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene
(6s,6ar,8s,9r,10r,10ar)-4-(4-hydroxyphenyl)-6,8,10-trimethyl-6h,6ah,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridine-1,9-diol
[4-hydroxy-3-(2-hydroxypropan-2-yl)-2-oxo-hexahydro-3h-furo[3,2-a]pyrrolizin-3a-yl]methyl 3-methylbutanoate
C18H29NO6 (355.19947740000003)
4,10,11-trimethoxy-13-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-3-ol
(2r,3r,4s,5s,6r)-2-(hydroxymethyl)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)piperidine-3,4,5-triol
(2z)-3-(3,4-dimethoxyphenyl)-n-[2-(4-methoxyphenyl)ethyl]-n-methylprop-2-enamide
2,3,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene
(12br,13r)-3,4,10-trimethoxy-13-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-11-ol
(1r,2r,4s,5r,8s,10r,12r,13s,14r,17r,19r)-11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-16-one
2-{2-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-(acetyloxy)-2-[(1r)-1-methoxyethyl]-3-methylbutanoate
C18H29NO6 (355.19947740000003)
8-[2-(dimethylamino)ethyl]-3,5,6-trimethoxyphenanthren-2-ol
dimethyl(2-{4,13,14-trimethoxy-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaen-7-yl}ethyl)amine
3,4,10-trimethoxy-13-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-11-ol
4,5-dimethoxy-10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0²,⁷.0¹⁶,²⁰]henicosa-1(21),2(7),3,5,14,16(20)-hexaene
(1r)-1-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinoline
methyl (2z)-2-(carbamoylformamido)-3-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]prop-2-enoate
C19H21N3O4 (355.15319860000005)
(9s)-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
(1s,2s,5r,6r,10s,16r,17r)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.1¹,⁵.0²,¹⁰.0⁵,⁸.0¹⁶,¹⁹]icos-13(19)-ene-17-carboxylic acid
11-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)undeca-2,4,10-trienimidic acid
n-(2-{2-[(2z,5s)-3,6-dihydroxy-5-methyl-5h-pyrazin-2-ylidene]acetyl}phenyl)-2,2-dimethylbut-3-enimidic acid
C19H21N3O4 (355.15319860000005)
1-{2,4-dihydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-3-yl}-2,4-dimethyloct-6-en-1-one
(5r,19r)-11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-16-one
n-{2-[(3s,6e)-3,7,11-trimethyldodeca-1,6,10-triene-3-sulfonyl]ethyl}guanidine
3,4,11-trimethoxy-13-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-10-ol
11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-16-one
3-(3,4-dimethoxyphenyl)-n-[2-(4-methoxyphenyl)ethyl]-n-methylprop-2-enamide
(2s)-5-hydroxy-4-[(6r)-1-hydroxy-2,6-dimethylocta-2,4-dien-1-ylidene]-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one
(5r,12bs)-3,10,11-trimethoxy-5-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-4-ol
2-(3,7-dimethylocta-2,6-dien-1-yl)-3-methyl-1-[(methylsulfanyl)methyl]quinolin-4-one
C22H29NOS (355.19697440000004)