Exact Mass: 371.23414620000005
Exact Mass Matches: 371.23414620000005
Found 349 metabolites which its exact mass value is equals to given mass value 371.23414620000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tamoxifen
Tamoxifen is only found in individuals that have used or taken this drug. It is one of the selective estrogen receptor modulators with tissue-specific activities. Tamoxifen acts as an anti-estrogen (inhibiting agent) in the mammary tissue, but as an estrogen (stimulating agent) in cholesterol metabolism, bone density, and cell proliferation in the endometrium. [PubChem]Tamoxifen binds to estrogen receptors (ER), inducing a conformational change in the receptor. This results in a blockage or change in the expression of estrogen dependent genes. The prolonged binding of tamoxifen to the nuclear chromatin of these results in reduced DNA polymerase activity, impaired thymidine utilization, blockade of estradiol uptake, and decreased estrogen response. It is likely that tamoxifen interacts with other coactivators or corepressors in the tissue and binds with different estrogen receptors, ER-alpha or ER-beta, producing both estrogenic and antiestrogenic effects. L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent
Docosahexaenoyl Ethanolamide
Docosahexaenoic Acid (DHA) is an essential fatty acid and the most abundant ω-3 fatty acid in neural tissues, especially in the retina and brain. Docosahexaenoyl ethanolamide (DHEA) is the ethanolamine amide of DHA that has been detected in both brain and retina at concentrations similar to those for arachidonoyl ethanolamide (AEA).1,2 A 9.5 fold increase of DHEA was observed in brain lipid extracts from piglets fed a diet supplemented with DHA compared to a control diet without DHA.3 DHEA binds to the rat brain CB1 receptor with a Ki of 324 nM, which is approximately 10-fold higher than the Ki for AEA.4 DHEA inhibits shaker-related voltage-gated potassium channels in brain slightly better than AEA, with an IC50 of 1.5 ?M [HMDB] Docosahexaenoic Acid (DHA) is an essential fatty acid and the most abundant ω-3 fatty acid in neural tissues, especially in the retina and brain. Docosahexaenoyl ethanolamide (DHEA) is the ethanolamine amide of DHA that has been detected in both brain and retina at concentrations similar to those for arachidonoyl ethanolamide (AEA).1,2 A 9.5 fold increase of DHEA was observed in brain lipid extracts from piglets fed a diet supplemented with DHA compared to a control diet without DHA.3 DHEA binds to the rat brain CB1 receptor with a Ki of 324 nM, which is approximately 10-fold higher than the Ki for AEA.4 DHEA inhibits shaker-related voltage-gated potassium channels in brain slightly better than AEA, with an IC50 of 1.5 ¬µM.
Dodec-9-enedioylcarnitine
C19H33NO6 (371.23077580000006)
Dodec-9-enedioylcarnitine is an acylcarnitine. More specifically, it is an dodec-9-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dodec-9-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodec-9-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Dodec-2-enedioylcarnitine
C19H33NO6 (371.23077580000006)
Dodec-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an dodec-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dodec-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodec-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Dodec-7-enedioylcarnitine
C19H33NO6 (371.23077580000006)
Dodec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an dodec-7-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dodec-7-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodec-7-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Dodec-8-enedioylcarnitine
C19H33NO6 (371.23077580000006)
Dodec-8-enedioylcarnitine is an acylcarnitine. More specifically, it is an dodec-8-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dodec-8-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodec-8-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Dodec-6-enedioylcarnitine
C19H33NO6 (371.23077580000006)
Dodec-6-enedioylcarnitine is an acylcarnitine. More specifically, it is an dodec-6-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Dodec-6-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Dodec-6-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Oxotridecanoylcarnitine
C20H37NO5 (371.26715920000004)
3-Oxotridecanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxotridecanoic 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-Oxotridecanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 3-Oxotridecanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
N-Palmitoyl Aspartic acid
C20H37NO5 (371.26715920000004)
N-palmitoyl aspartic acid, also known as N-palmitoyl aspartate belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Palmitic acid amide of Aspartic acid. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Palmitoyl Aspartic acid is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Palmitoyl Aspartic acid is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(4-Methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
N3-Cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Ecabapide
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
Nemonoxacin
epi-Bisdehydroneotuberostemonine J
C22H29NO4 (371.20964740000005)
2-[[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]propanoic acid
1-methyl-2-(1-methyl-2-pyrrolidinyl)ethyl 6-deoxy-3-O((Z)-2-methyl-2-butenoyl)-alpha-galactopyranoside|1-methyl-2-(1-methyl-2-pyrrolidinyl)ethyl 6-deoxy-3-O<(Z)-2-methyl-2-butenoyl>-alpha-galactopyranoside
C19H33NO6 (371.23077580000006)
8-Ethyl-11-methyl-2-(4-methyl-5-oxotetrahydrofuran-2-yl)-5,6,7,7a,8,8a,11,11a-octahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(4H)-one
C22H29NO4 (371.20964740000005)
(20S)-20-[formyl(methyl)amino]-3beta-methoxypregna-5,16-diene|N-[formyl(methyl)amino]salonine-B
8-dehydroxyl-14-dehydro-8,9,10-cyclopropyl-vilmorrianine D|vilmoraconitine A
2-hydroxyyunnandaphnine D|rel-(3R,3aS,5aS,6S,10R,11R,12aS,12bR)-2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-3a-hydroxy-3,5a-dimethyl-4H-1,6-methanocyclopent[1,8]azuleno[4,3a-g]indole-11-carboxylic acid methyl ester
(4S*,9R*,10aR*,11S*)-2,3,4,5,6,7,8,8a,9,10-decahydro-2-methyl-6-(1-methylethyl)spiro[1H-4,10a-methanopentaleno[1,6-ed]azonine-11,3(4H)-[2H]pyran]-9-carboxylic acid|longistylumphylline B
ethyl 4-((E)-2-acetyl-4-oxonon-1-enyl)-6-((E)-prop-1-enyl)nicotinate|Monasnicotinate B
C22H29NO4 (371.20964740000005)
(E)-N-2{2-[2-(4,5-dimethoxyphenyl)ethenyl]-3,4-dimethoxyphenyl}ethyl-N,N-dimethylamine|2-(beta-Dimethylamino-ethyl)-4,5,3,4-tetramethoxy-trans-stilben|trans-Laudanosin-methin|trans-Laudanosinmethin
C22H29NO4 (371.20964740000005)
1,4-Dihydroxy-3-[3,5-dimethyl-6-(1-methylpropyl)tetrahydro-2H-pyran-2-yl]-5-phenylpyridine-2(1H)-one
C22H29NO4 (371.20964740000005)
(2E,11E)-12-(benzo[1,3]dioxol-5-yl)-N-(2-methylpropyl)dodeca-2,11-dienamide|pipgulzarine
2,3-dimethyl-3-[2-(2,2,5,5-tetramethyl-[1,3]dioxolan-4-yl)-ethyl]-3,9-dihydro-2H-furo[2,3-b]quinolin-4-one|Bucharamin|bucharamine
C22H29NO4 (371.20964740000005)
11-acetylhetisine|hetisine-11-O-acetate
C22H29NO4 (371.20964740000005)
1,4-dihydro-5-methoxy-1-methyl-2-tridecylquinolin-4-one|1,4-Dihydro-8-methoxy-1-methyl-2-tridecyl-4(1H)-quinolinone
Tamoxifen
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent CONFIDENCE standard compound; INTERNAL_ID 1073; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9057; ORIGINAL_PRECURSOR_SCAN_NO 9056 CONFIDENCE standard compound; INTERNAL_ID 1073; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9068 CONFIDENCE standard compound; INTERNAL_ID 1073; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9071; ORIGINAL_PRECURSOR_SCAN_NO 9070 CONFIDENCE standard compound; INTERNAL_ID 1073; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9106; ORIGINAL_PRECURSOR_SCAN_NO 9105 CONFIDENCE standard compound; INTERNAL_ID 1073; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9127; ORIGINAL_PRECURSOR_SCAN_NO 9123 CONFIDENCE standard compound; INTERNAL_ID 1073; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9110; ORIGINAL_PRECURSOR_SCAN_NO 9109 CONFIDENCE standard compound; INTERNAL_ID 2715 CONFIDENCE standard compound; INTERNAL_ID 8612
Docosahexaenoyl Ethanolamide
CONFIDENCE standard compound; INTERNAL_ID 25
R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloct-7-ynoyl)-5,5-dimethyloxazolidin-2-one
C22H29NO4 (371.20964740000005)
S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloct-7-ynoyl)-5,5-dimethyloxazolidin-2-one
C22H29NO4 (371.20964740000005)
Ala Gly Lys Pro
C16H29N5O5 (371.21685840000004)
Ala Gly Pro Lys
C16H29N5O5 (371.21685840000004)
Ala Lys Gly Pro
C16H29N5O5 (371.21685840000004)
Ala Lys Pro Gly
C16H29N5O5 (371.21685840000004)
Ala Pro Gly Lys
C16H29N5O5 (371.21685840000004)
Ala Pro Lys Gly
C16H29N5O5 (371.21685840000004)
Gly Ala Lys Pro
C16H29N5O5 (371.21685840000004)
Gly Ala Pro Lys
C16H29N5O5 (371.21685840000004)
Gly Lys Ala Pro
C16H29N5O5 (371.21685840000004)
Gly Lys Pro Ala
C16H29N5O5 (371.21685840000004)
Gly Pro Ala Lys
C16H29N5O5 (371.21685840000004)
Gly Pro Lys Ala
C16H29N5O5 (371.21685840000004)
Lys Ala Gly Pro
C16H29N5O5 (371.21685840000004)
Lys Ala Pro Gly
C16H29N5O5 (371.21685840000004)
Lys Gly Ala Pro
C16H29N5O5 (371.21685840000004)
Lys Gly Pro Ala
C16H29N5O5 (371.21685840000004)
Lys Pro Ala Gly
C16H29N5O5 (371.21685840000004)
Lys Pro Gly Ala
C16H29N5O5 (371.21685840000004)
Pro Ala Gly Lys
C16H29N5O5 (371.21685840000004)
Pro Ala Lys Gly
C16H29N5O5 (371.21685840000004)
Pro Gly Ala Lys
C16H29N5O5 (371.21685840000004)
Pro Gly Lys Ala
C16H29N5O5 (371.21685840000004)
Pro Lys Ala Gly
C16H29N5O5 (371.21685840000004)
Pro Lys Gly Ala
C16H29N5O5 (371.21685840000004)
Crystal Violet
Crystal violet. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=548-62-9 (retrieved 2024-07-09) (CAS RN: 548-62-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloct-7-ynoyl)-5,5-dimethyloxazolidin-2-one
C22H29NO4 (371.20964740000005)
R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloct-7-ynoyl)-5,5-dimethyloxazolidin-2-one
C22H29NO4 (371.20964740000005)
trans,trans-4-cyano-3-fluorophenyl-4-propyl-bicyclohexyl-4-carboxylate
1-(4-METHOXYPHENOXY)-3-[4-(2-METHOXYPHENYL)PIPERIDINO]PROPAN-2-OL
C22H29NO4 (371.20964740000005)
butyl prop-2-enoate,2-methylprop-2-enoic acid,prop-2-enenitrile,styrene
C22H29NO4 (371.20964740000005)
2-(1-PIPERAZINYL)-3-[2-[3-[(ISOPROPYLAMINO)METHYL]PHENOXY]ETHOXY]PYRAZINE
1-[tert-butyl(dimethyl)silyl]-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
polystyrene, crosslinked, quaternary ammonium, chloride form
C23H30ClNO (371.20158000000004)
bis(2-hydroxyethyl)ammonium decyl sulphate
C16H37NO6S (371.23414620000005)
sodium 2-[methyl(1-oxotetradecyl)amino]ethanesulphonate
C17H34NNaO4S (371.21061240000006)
N,N-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,1-biphenyl]-4-amine
2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine- 2,6(3H)-dione,decahydro-4,5,9-trihydroxy-4,- 5-dimethyl-3-(1-methylethyl)-,(3R,4R,5R,- 8aR,9R,13aR,13bR)-
Nemonoxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
9-Butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
7-(3-Amino-5-methyl-1-piperidinyl)-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
5-tert-butyl-2-methyl-3-phenyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine
(S)-N-(4-Carbamimidoylbenzyl)-1-(2-(Cyclopentylamino)ethanoyl)pyrrolidine-2-Carboxamide
(4E,6E,8E,10E,12E,14E)-1-amino-2-hydroxytetracosa-4,6,8,10,12,14-hexaen-3-one
(2S)-6-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]hexanoic Acid
N-[3-(1-azepanyl)propyl]-5-oxo-1-(2-phenylethyl)-3-pyrrolidinecarboxamide
C22H33N3O2 (371.25726380000003)
1-(9-Cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)thiourea
4-[[2-(3-Ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester
N4-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine
1-[(4R,6S,7S,11R,14S)-5-Acetyl-14-hydroxy-7,11-dimethyl-5-azapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanone
(3beta,5alpha,17beta)-3-Hydroxyandrostan-17-yl sulfate
2,3,6,7,12,13,16,17-Octahydropyrido[3,2,1-ij]quinolizino[1,9:6,7,8]chromeno[2,3-f]quinolin-18-ium
(1S,5R)-3-[(2-methoxyphenyl)methyl]-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
1-[[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-1-methyl-3-propylurea
C22H33N3O2 (371.25726380000003)
(1S,5R)-3-[(2-methoxyphenyl)methyl]-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane
(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
1-[(1R)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-1-butanone
C21H29N3O3 (371.22088040000006)
2-[(2S,5R,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-(2-methoxyethyl)acetamide
2-[(2R,5S,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
2-[(2S,5S,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
2-[(2S,5R,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
N-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[(2R,3R,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[(2S,3S,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
1-cyclopentyl-3-[[(2R,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
C21H29N3O3 (371.22088040000006)
1-cyclopentyl-3-[[(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
C21H29N3O3 (371.22088040000006)
1-cyclopentyl-3-[[(2S,3S,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
C21H29N3O3 (371.22088040000006)
(1R,2aS,8bS)-2-(cyclohexylmethyl)-1-(hydroxymethyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C22H33N3O2 (371.25726380000003)
(1S,2aR,8bR)-2-(cyclohexylmethyl)-1-(hydroxymethyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C22H33N3O2 (371.25726380000003)
(1R,2aS,8bS)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H29N3O3 (371.22088040000006)
1-[(1S)-1-acetyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
(1R,5S)-6-[(2-methoxyphenyl)methyl]-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
(2R,3R)-1-(2-cyclopropyl-1-oxoethyl)-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C21H29N3O3 (371.22088040000006)
2-[(2R,5R,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
2-[(2S,5S,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
2-[(2R,5S,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
N-[(2S,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[(2S,3R,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[(2S,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[(2R,3S,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[(2R,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]ethyl]-4-oxanecarboxamide
[(2R,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(ethylaminomethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
C21H29N3OS (371.20312240000004)
1-cyclopentyl-3-[[(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
C21H29N3O3 (371.22088040000006)
1-cyclopentyl-3-[[(2S,3S,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
C21H29N3O3 (371.22088040000006)
1-cyclopentyl-3-[[(2R,3S,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
C21H29N3O3 (371.22088040000006)
1-cyclopentyl-3-[[(2S,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
C21H29N3O3 (371.22088040000006)
(1R,2aR,8bR)-2-(cyclohexylmethyl)-1-(hydroxymethyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C22H33N3O2 (371.25726380000003)
(1S,2aS,8bS)-2-(cyclohexylmethyl)-1-(hydroxymethyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C22H33N3O2 (371.25726380000003)
(1S,2aS,8bS)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H29N3O3 (371.22088040000006)
(1S,2aR,8bR)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H29N3O3 (371.22088040000006)
(1R,2aR,8bR)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H29N3O3 (371.22088040000006)
1-[(1R)-1-acetyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
(1R,5S)-7-[4-(3-methoxyphenyl)phenyl]-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-1-butanone
C21H29N3O3 (371.22088040000006)
(2R,3R)-N-cyclopentyl-2-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C21H29N3O3 (371.22088040000006)
(2R,3S)-1-(2-cyclopropyl-1-oxoethyl)-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C21H29N3O3 (371.22088040000006)
(2S,3S)-1-(2-cyclopropyl-1-oxoethyl)-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C21H29N3O3 (371.22088040000006)
(2E)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradec-2-enoate
(2S)-2-(benzylamino)-N-[(1S)-1-(hydroxyamino)-3-methylbutyl]-3-(4-hydroxyphenyl)propanamide
C21H29N3O3 (371.22088040000006)
(E,13R)-13-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxytetradec-2-enoate
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine
An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid.
oscr#23(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#23, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2s)-2-({[(2s)-1-[(2r)-3-(dihydroxycarbonimidoyl)-2-propylpropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-methylbutanoic acid
C17H29N3O6 (371.20562540000003)
methyl 18,19-dihydroxy-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
C22H29NO4 (371.20964740000005)
2,3-dimethyl-3-[2-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)ethyl]-2h-furo[2,3-b]quinolin-4-ol
C22H29NO4 (371.20964740000005)
(1s,2r,5r,7r,8s,9s,10s,13s,16s,17r)-11-ethyl-7-hydroxy-16-methoxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-4-one
ethyl 4-[(1e)-2-acetyl-4-oxonon-1-en-1-yl]-6-[(1e)-prop-1-en-1-yl]pyridine-3-carboxylate
C22H29NO4 (371.20964740000005)
methyl (1r,3r,4s,10s,14r,15r,18r,19s)-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
methyl (1s,3s,4s,7s,10r,11r,14s,15r,18r,20r,21r)-11,15-dimethyl-19-oxa-17-azaheptacyclo[12.6.1.0¹,¹¹.0⁴,²⁰.0⁷,²⁰.0¹⁰,¹⁸.0¹⁷,²¹]henicosane-3-carboxylate
(1'r,3r,5's,11'r,12'r)-6-isopropyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylic acid
methyl (1r,3r,4r,10s,14s,15r,17r,18s,19s)-17-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
methyl 18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
3-[(2r,3r,5s,6r)-6-[(2r)-butan-2-yl]-3,5-dimethyloxan-2-yl]-1,4-dihydroxy-5-phenylpyridin-2-one
C22H29NO4 (371.20964740000005)
bisdehydroneotuberostemonine
C22H29NO4 (371.20964740000005)
{"Ingredient_id": "HBIN018614","Ingredient_name": "bisdehydroneotuberostemonine","Alias": "NA","Ingredient_formula": "C22H29NO4","Ingredient_Smile": "CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C","Ingredient_weight": "371.5 g/mol","OB_score": "51.13638228","CAS_id": "NA","SymMap_id": "SMIT10516","TCMID_id": "NA","TCMSP_id": "MOL009377","TCM_ID_id": "NA","PubChem_id": "101675309","DrugBank_id": "NA"}
[(7s)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2,3-dihydroxy-2-[(1s)-1-methoxyethyl]-3-methylbutanoate
(1r,2r,4s,5r,8s,10r,12r,13s,14r,16r,17r,19s)-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate
C22H29NO4 (371.20964740000005)
[(7s,7ar)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2,3-dihydroxy-2-[(1s)-1-methoxyethyl]-3-methylbutanoate
methyl (1r,3r,4r,10r,14s,15r,18r,19r)-18,19-dihydroxy-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
C22H29NO4 (371.20964740000005)
(9r,10r,11s,14r,15r)-10-ethyl-14-methyl-3-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(16),2-dien-13-one
C22H29NO4 (371.20964740000005)
(2s)-2-{[(2e,4e,6e,8e)-1-hydroxy-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ylidene]amino}propanoic acid
methyl (1r,3r,4r,10s,14s,15r,17s,18s,19s)-17-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
(1s,5s,8r,9s,11r,13r,14s,15s,16r,17r,18s,19r)-13,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate
C22H29NO4 (371.20964740000005)
n-[(1s)-1-[(3as,3br,7s,9ar,9bs,11as)-7-methoxy-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-n-methylformamide
methyl (1's,3r,5'r,11'r,12'r)-6-ethyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
(2s,3r)-2,3-dimethyl-3-{2-[(4r)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl}-2h-furo[2,3-b]quinolin-4-ol
C22H29NO4 (371.20964740000005)
methyl (1'r,3r,5's,11'r,12'r)-6-ethyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
1-[(1s,3r,6s,11s,15r,16r)-14-hydroxy-12,16-dimethyl-6-(methylamino)-7-methylidenepentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]ethanone
n-[(1r,3as,3bs,7r,9ar,9br,11ar)-1-acetyl-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]-n-methylacetamide
(2s)-2-(n,3-dimethyl-2-oxobutanamido)-n-[2-(1h-indol-3-yl)ethyl]-3-methylbutanimidic acid
C21H29N3O3 (371.22088040000006)
n-(1-{7-methoxy-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl)-n-methylformamide
n-[(2s,6e,8z)-2-hydroxy-9-{2-[(1e)-3-hydroxyprop-1-en-1-yl]-4-methylphenyl}-7-methyldeca-6,8-dien-1-yl]ethanimidic acid
methyl (1r,3r,4r,10s,14r,15r,18r,19r)-18,19-dihydroxy-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
C22H29NO4 (371.20964740000005)
(1r,3r,5r,6r,8r,9s,11s,14s,16s,17s,18s)-6,18-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl acetate
C22H29NO4 (371.20964740000005)
(1r)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinoline
C22H29NO4 (371.20964740000005)
2-({3a-hydroxy-2h,3h,8ah-furo[2,3-b]indol-8-yl}methyl)-4-butyl-2,5-dimethylcyclopentane-1,3-dione
C22H29NO4 (371.20964740000005)
methyl (1s,3r,4r,10s,14s,15r,18s,19r)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
3,5-dihydroxy-2-methyl-6-{[1-(1-methylpyrrolidin-2-yl)propan-2-yl]oxy}oxan-4-yl 2-methylbut-2-enoate
C19H33NO6 (371.23077580000006)
(10s,11s,14r,15r)-10-ethyl-14-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(16),2-dien-13-one
C22H29NO4 (371.20964740000005)
(1r,2s,5r,8r,9r,10s,11r,13r,14s,15r,16r)-11,14-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.2¹⁰,¹³.0¹,⁸.0⁵,¹⁶.0¹⁰,¹⁵]nonadec-6-en-2-yl acetate
C22H29NO4 (371.20964740000005)
12-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)dodeca-2,11-dienimidic acid
methyl 15-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
10-ethyl-14-methyl-3-(4-methyl-5-oxooxolan-2-yl)-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(16),2-dien-13-one
C22H29NO4 (371.20964740000005)
methyl (1's,3r,5's,11'r,12's)-6-ethyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
(1s,3s,5s,8r,9s,10s,11r,14r,16s,17r,18r,19r)-3,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate
C22H29NO4 (371.20964740000005)
3,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate
C22H29NO4 (371.20964740000005)
(1s,5r,8r,9s,11r,13r,14s,15s,16r,17r,18s,19r)-13,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate
C22H29NO4 (371.20964740000005)
(1r,6r,10r,13r,14s,17s)-14-methyl-9,20-dioxo-21-oxa-16-azapentacyclo[8.7.5.0¹,¹⁰.0²,⁶.0¹³,¹⁷]docos-2-ene-16-carbaldehyde
C22H29NO4 (371.20964740000005)
(9r,10r,11r,14s,15s)-10-ethyl-14-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(16),2-dien-13-one
C22H29NO4 (371.20964740000005)
(1s,10r,12s,13e,18s)-18-carboxy-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-trien-15-ium
[C21H27N2O4]+ (371.19707220000004)
(1s,3s,5r,8r,9s,10r,11r,14r,16s,17r,18r,19s)-3,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate
C22H29NO4 (371.20964740000005)
methyl 6-ethyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
methyl (1s,3r,4r,10s,14r,15s,18s,19r)-15-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
6-isopropyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylic acid
4,6-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-13-yl acetate
C22H29NO4 (371.20964740000005)
(1r,3r,5s,6r)-8-methyl-6-(1-methylpyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-3-yl 1-methylpyrrole-2-carboxylate
ethyl 4-(2-acetyl-4-oxonon-1-en-1-yl)-6-(prop-1-en-1-yl)pyridine-3-carboxylate
C22H29NO4 (371.20964740000005)
(2e,11e)-12-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)dodeca-2,11-dienimidic acid
methyl 3-{13,17-dimethyl-1-azahexacyclo[9.7.1.0²,¹⁶.0³,¹³.0⁴,⁸.0⁸,¹⁹]nonadecan-3-yl}propanoate
(1r,2r,5r,7r,8r,9r,10r,13r,16s,17r)-11-ethyl-7-hydroxy-16-methoxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-4-one
(1's,3r,5'r,11's,12's)-6-isopropyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylic acid
methyl (1's,3r,11'r,12's)-6-ethyl-3'-methyl-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
methyl 19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
methyl (1r,3s,4s,10r,14s,15r,18r,19s)-15-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
(1s,3s,5r,8r,9s,10s,11r,14r,16s,17r,18r,19s)-3,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate
C22H29NO4 (371.20964740000005)
(1r,4r,5s,6s,8r,9s,11r,13r,14s,16s,17s,18s)-4,6-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-13-yl acetate
C22H29NO4 (371.20964740000005)
methyl (1r,3r,4r,10r,14s,15r,18r,19s)-18,19-dihydroxy-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
C22H29NO4 (371.20964740000005)
13,15-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate
C22H29NO4 (371.20964740000005)
6,18-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl acetate
C22H29NO4 (371.20964740000005)
3-[3,5-dimethyl-6-(sec-butyl)oxan-2-yl]-1,4-dihydroxy-5-phenylpyridin-2-one
C22H29NO4 (371.20964740000005)
1-[14-hydroxy-12,16-dimethyl-6-(methylamino)-7-methylidenepentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]ethanone
1-[(1s,3r,6s,11s,12s,14r,15r,16r)-14-hydroxy-12,16-dimethyl-6-(methylamino)-7-methylidenepentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]ethanone
(9r,10r,11s,14s,15r)-10-ethyl-14-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(16),2-dien-13-one
C22H29NO4 (371.20964740000005)
3,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate
C22H29NO4 (371.20964740000005)
methyl 11,15-dimethyl-19-oxa-17-azaheptacyclo[12.6.1.0¹,¹¹.0⁴,²⁰.0⁷,²⁰.0¹⁰,¹⁸.0¹⁷,²¹]henicosane-3-carboxylate
(1s,2r,5r,7r,9s,10s,13s,16s)-11-ethyl-7-hydroxy-16-methoxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-4-one
1-[(1s,3r,6s,8r,11s,12s,14r,15r,16r)-14-hydroxy-12,16-dimethyl-6-(methylamino)-7-methylidenepentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]ethanone
methyl 17-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
n-{1-acetyl-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl}-n-methylacetamide
methyl (1s,3r,4r,10s,14s,19r)-19-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
[7-(acetyloxy)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate
methyl 3-[(2r,3s,4s,8s,11r,13r,16s,17r,19s)-13,17-dimethyl-1-azahexacyclo[9.7.1.0²,¹⁶.0³,¹³.0⁴,⁸.0⁸,¹⁹]nonadecan-3-yl]propanoate
(1s,3s,5r,8r,9s,10r,11s,14r,16s,17r,18r,19s)-3,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate
C22H29NO4 (371.20964740000005)
(2s,3r,4r,5s,6r)-3,5-dihydroxy-2-methyl-6-{[(2r)-1-[(2r)-1-methylpyrrolidin-2-yl]propan-2-yl]oxy}oxan-4-yl (2z)-2-methylbut-2-enoate
C19H33NO6 (371.23077580000006)