Exact Mass: 336.1321
Exact Mass Matches: 336.1321
Found 500 metabolites which its exact mass value is equals to given mass value 336.1321,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Berberine
Berberine is an organic heteropentacyclic compound, an alkaloid antibiotic, a botanical anti-fungal agent and a berberine alkaloid. It has a role as an antilipemic drug, a hypoglycemic agent, an antioxidant, a potassium channel blocker, an antineoplastic agent, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor, an EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor, an EC 1.21.3.3 (reticuline oxidase) inhibitor, an EC 2.1.1.116 [3-hydroxy-N-methyl-(S)-coclaurine 4-O-methyltransferase] inhibitor, an EC 3.1.1.4 (phospholipase A2) inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 2.7.11.10 (IkappaB kinase) inhibitor, an EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor, a geroprotector and a metabolite. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. Berberine is a quaternary ammonia compound found in many botanical products, including goldenseal, barberry and Oregon grape, which is used for its purported antioxidant and antimicrobial properties for a host of conditions, including obesity, diabetes, hyperlipidemia, heart failure, H. pylori infection and colonic adenoma prevention. Berberine has not been linked to serum aminotransferase elevations during therapy nor to instances of clinically apparent liver injury. Berberine is a natural product found in Berberis poiretii, Thalictrum delavayi, and other organisms with data available. Berberine is a quaternary ammonium salt of an isoquinoline alkaloid and active component of various Chinese herbs, with potential antineoplastic, radiosensitizing, anti-inflammatory, anti-lipidemic and antidiabetic activities. Although the mechanisms of action through which berberine exerts its effects are not yet fully elucidated, upon administration this agent appears to suppress the activation of various proteins and/or modulate the expression of a variety of genes involved in tumorigenesis and inflammation, including, but not limited to transcription factor nuclear factor-kappa B (NF-kB), myeloid cell leukemia 1 (Mcl-1), B-cell lymphoma 2 (Bcl-2), B-cell lymphoma-extra large (Bcl-xl), cyclooxygenase (COX)-2, tumor necrosis factor (TNF), interleukin (IL)-6, IL-12, inducible nitric oxide synthase (iNOS), intercellular adhesion molecule-1 (ICAM-1), E-selectin, monocyte chemoattractant protein-1 (MCP-1), C-X-C motif chemokine 2 (CXCL2), cyclin D1, activator protein (AP-1), hypoxia-inducible factor 1 (HIF-1), signal transducer and activator of transcription 3 (STAT3), peroxisome proliferator-activated receptor (PPAR), arylamine N-acetyltransferase (NAT), and DNA topoisomerase I and II. The modulation of gene expression may induce cell cycle arrest and apoptosis, and inhibit cancer cell proliferation. In addition, berberine modulates lipid and glucose metabolism. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. See also: Goldenseal (part of); Berberis aristata stem (part of). Berberine is a quaternary ammonium salt that belongs to the protoberberine group of benzylisoquinoline alkaloids. Chemically, berberine is classified as an isoquinoline alkaloid. More specifically, berberine is a plant alkaloid derived from tyrosine through a complex 8 step biosynthetic process. Berberine is found in plants such as Berberis vulgaris (barberry), Berberis aristata (tree turmeric), Mahonia aquifolium (Oregon grape) and Hydrastis canadensis (goldenseal). Two other known berberine-containing plants are Phellodendron chinense and Phellodendron amurense. Berberine is usually found in the roots, rhizomes, stems, and bark of Berberis plants. Due to berberines intense yellow color, plants that contain berberine were traditionally used to dye wool, leather, and wood. Under ultraviolet light, berberine shows a strong yellow fluorescence, making it useful in histology for staining heparin in mast cells. Berberine is a bioactive plant compound that has been frequently used in traditional medicine. Among the known physiological effects or bioactivities are: 1) Antimicrobial action against bacteria, fungi, protozoa, viruses, helminthes, and Chlamydia; 2) Antagonism against the effects of cholera and E coli heat-stable enterotoxin; 3) Inhibition of intestinal ion secretion and of smooth muscle contraction; 4) Reduction of inflammation and 5) Stimulation of bile secretion and bilirubin discharge (PMID:32335802). Berberine can inhibit bacterial growth in the gut, including Helicobacter pylori, protect the intestinal epithelial barrier from injury, and ameliorate liver injury. Currently, berberine is sold as an Over-the-Counter (OTC) drug for treating gastrointestinal infections in China (PMID:18442638). Berberine also inhibits the proliferation of various types of cancer cells and impedes invasion and metastasis (PMID:32335802). Recent evidence has also confirmed that berberine improves the efficacy and safety of both chemo and radiotherapies for cancer treatment (PMID:32335802). Berberine has also been shown to regulate glucose and lipid metabolism in vitro and in vivo (PMID:18442638). In fact, berberine is the main active component of an ancient Chinese herb Coptis chinensis French, which has been used to treat diabetes for thousands of years. As an anti-diabetic, berberine increases glucose uptake by muscle fibers independent of insulin levels. It triggers AMPK activation and increases glycolysis, leading to decreased insulin resistance and decreased oxygen respiration. The same mechanism leads to a reduction in gluconeogenesis in the liver. AMPK activation by berberine also leads to an antiatherosclerotic effect in mice. Berberines AMPK activation may also underlie berberines anti-obesity effects and favorable influence on weight loss (PMID:18442638). While its use as a medication is widely touted, it is important to remember that berberine inhibits CYP2D6 and CYP3A4 enzymes, both of which are involved in the metabolism of many endogenous substances and xenobiotics, including a number of prescription drugs. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. [HMDB] COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials [Raw Data] CBA98_Berberine_pos_50eV.txt [Raw Data] CBA98_Berberine_pos_10eV.txt [Raw Data] CBA98_Berberine_pos_20eV.txt [Raw Data] CBA98_Berberine_pos_40eV.txt [Raw Data] CBA98_Berberine_pos_30eV.txt Berberine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2086-83-1 (retrieved 2024-09-04) (CAS RN: 2086-83-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Fenbuconazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9428; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9518; ORIGINAL_PRECURSOR_SCAN_NO 9516 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9491 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9544; ORIGINAL_PRECURSOR_SCAN_NO 9543 CONFIDENCE standard compound; INTERNAL_ID 707; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9531; ORIGINAL_PRECURSOR_SCAN_NO 9529
CYCLOPIAZONIC ACID
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors Cyclopiazonic acid (CPA), a neurotoxic secondary metabolite (SM) made by Aspergillus flavus, is an inhibitor of endoplasmic reticulum calcium ATPase (Ca2+ATPase; SERCA) and a potent inducer of cell death in plants[1].
3-Hydroxymugineic acid
3-Hydroxymugineic acid is found in cereals and cereal products. 3-Hydroxymugineic acid is isolated from roots of barley (Hordeum vulgare). Isolated from roots of barley (Hordeum vulgare). 3-Hydroxymugineic acid is found in barley and cereals and cereal products.
Nb-Feruloyltryptamine
Nb-Feruloyltryptamine is found in cereals and cereal products. Nb-Feruloyltryptamine is found in kernels of sweet corn (Zea mays). Found in kernels of sweet corn (Zea mays)
Licoagrochalcone B
Licoagrochalcone B is found in herbs and spices. Licoagrochalcone B is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagrochalcone B is found in tea and herbs and spices.
Semilepidinoside A
Semilepidinoside A is found in brassicas. Semilepidinoside A is an alkaloid from the seeds of Lepidium sativum (garden cress). Alkaloid from the seeds of Lepidium sativum (garden cress). Semilepidinoside A is found in garden cress and brassicas.
Curcumin III
Curcumin III is found in herbs and spices. Curcumin III is isolated from the rhizomes of Curcuma longa (turmeric). Isolated from the rhizomes of Curcuma longa (turmeric). Curcumin III is found in herbs and spices.
2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)-
2-Dichloromethylene-3a,7a-dichloro-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,3-dione
1,1'-(1,8-Dioxo-1,8-octanediyl)bis-2,5-pyrrolidinedione
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
(2R,3S,9R)-5-Acetyl-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
Epiberberine
Epiberberine is a natural product found in Sinomenium acutum, Corydalis turtschaninovii, and other organisms with data available.
Hemileiocarpin
γ-Linolenoyl-CoA
CONFIDENCE isolated standard Cyclopiazonic acid (CPA), a neurotoxic secondary metabolite (SM) made by Aspergillus flavus, is an inhibitor of endoplasmic reticulum calcium ATPase (Ca2+ATPase; SERCA) and a potent inducer of cell death in plants[1].
cedreprenone
2,4-Dihydroxy-3,6,6-trimethylpyrano[2,3:6,5]chalcone
Lanceolatin A(flavonoid)
(E)-3-hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
(Z)-3-hydroxy-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenylprop-2-en-1-one|purpurenone
2,3-Dihydro-5-hydroxy-8,8,10-trimethyl-2-phenyl-4H,8H-benzo[1,2-b:5,4-b]dipyran-4-one
1-(4-Hydroxy-3-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenoxy)-1,3-propanediol
(3S,6Z)-3-benzyl-6-(4-methoxybenzylidene)-1-methylpyrazine-2,5-dione|nocazine C
1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3t(?)-phenyl-propenon|1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3t(?)-phenyl-propenone|Oaxacacin
8-methoxy-3-methyl-1naphthalenol-6-O-alpha-D-ribofuranoside
17-Epinaucleidinal|19-epi-naucleidinal|epi-19 naucleidinal|naucleidinal
5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one
7-Hydroxy-5-methoxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
8alpha-acetoxy-2-oxo-5alpha,10alpha-dihydroxyguaia-3,11(13)-dien-1-alpha,6beta,7alphaH-12,6-olide|artemanomalide B
1alpha-acetoxy-8alpha,9b-dihydroxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide
3-[N-benzamide]-N-phenylethyl-glutarimide|crotonimide C
(E)-2-methyl-4-((E)-3-phenylprop-2-enoyloxy)-but-2-enyl benzoate|uvaridacane B
1-acetoxy-2-methoxy-4-(3-methyl-5-propenyl-benzofuran-2-yl)-benzene
2-(1-Methylvinyl)-4-hydroxy-7-(4-hydroxyphenyl)-2,3,5,6,7,8-hexahydronaphtho[2,3-b]furan-5-one
1-hydroxymethylphenyl 4-hydroxy-3-(4-hydroxybenzyl) benzyl ether|gastrol B
2-hydroxy-6-methoxy-6,6-dimethylchromeno(4,3:2,3)chalcone|obovatachalcone|Pongachalcone I
(2aS,5R,5aR,6aS,9bR,9cS)-2a,3,4,5,5a,6,6a,8,9b,9c-decahydro-6a-hydroxy-9,9c-dimethyl-2,8-dioxo-2H-naphtho[2,3-b:4,5-b,c]difuran-5-yl acetate|1beta-acetoxy-8beta-hydroxyeremophil-7(11)-ene-6alpha,15beta;8alpha,12-diolide
5alpha,10alpha-dihydroxy-9-acetoxyarbiglovin|5alpha,10alpha-Dihydroxy-9alpha-acetoxyarbiglovin
3,4,5-Trimethoxy-4-(3,5-dimethoxy-4-hydroxyphenyl)-2,5-cyclohexadiene-1-one
3-[6-(4-Hydroxyphenethyl)-2-hydroxyphenoxy]benzyl alcohol
11-Me ether-2,2,12-Trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9,11-triol|11-Methoxy-2,2,12-trimethyl-2H-naphtho<1,2-f><1>benzopyran-8,9-diol|11-Methoxy-2,2,12-trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9-diol
4-[[4-[[4-(Hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenol
(E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one|1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-methoxyphenyl)-propenone|4-Methoxylonchocarpin
Rengynic acid 1-O-??-D-glucoside|rengynic acid-10-O-beta-D-glucopyranoside
Danshenol A
Danshenol A is a natural product found in Salvia miltiorrhiza and Salvia glutinosa with data available.
Berberine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2521; CONFIDENCE confident structure IPB_RECORD: 821; CONFIDENCE confident structure
(E)-1-(5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-3-phenylprop-2-en-1-one
(2R)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.0²,⁷.0³,⁵]tetradeca-1,7,9-trien-11-one
(2R)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
(E)-3-hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid_major
9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.0²,?.0³,?]tetradeca-1,7,9-trien-11-one
Gly Ser Ser Ser
Ser Gly Ser Ser
Ser Ser Gly Ser
Ser Ser Ser Gly
3-HMA
(5-amino-1-benzothiophen-2-yl)-(4-phenylpiperidin-1-yl)methanone
1,1,1-Trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]-methanesulfonamide
TERT-BUTYL 5-CHLORO-2-OXOSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
Methyl 4,6,7-trimethoxy-5-(methoxymethoxy)-2-naphthoate
2-Methyl-2-propanyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-1-p iperidinecarboxylate
4-(BENZYLOXY)-5-METHOXY-7-(METHOXYMETHYL)-1-NAPHTHALDEHYDE
5-FLUORO-4-IODO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
3-(3-CYANO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-CYANO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 4-CHLORO-1-[TRIS(1-METHYLETHYL)SILYL]-
tert-butyl 1-[[(4-nitrophenoxy)carbonylamino]methyl]cyclopropane-1-carboxylate
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
(3R,4S)-1-(TERT-BUTOXYCARBONYL)-4-(2-NITROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
(3R,4S)-1-(TERT-BUTOXYCARBONYL)-4-(4-NITROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
2-HYDROXYPROPYL 2-(METHACRYLOYLOXY)ETHYL PHTHALATE
N-[(2-HYDROXY-NAPHTHALEN-1-YL)-(3-NITRO-PHENYL)-METHYL]-ACETAMIDE
methyl 4-(2-((tert-butoxycarbonyl)amino)ethyl)thiomorpholine-3-carboxylate 1,1-dioxide
4-(3-fluoro-2-methylphenyl)butyl 4-methylbenzenesulfonate
TERT-BUTYL 7-CHLORO-2-OXOSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
1-BOC-6-FLUORO-1,2-DIHYDRO-2-OXOSPIRO[4H-3,1-BENZOXAZINE-4,4-PIPERIDINE]
Cc-115
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C192218 - DNA-dependent Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor CC-115 is a potent and dual DNA-PK and mTOR kinase inhibitor with IC50s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling. CC-115 is a potent and dual DNA-PK and mTOR kinase inhibitor with IC50s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling.
[5-Fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid
K-80003 is a potent inhibitor of tRXRα-dependent Akt activation and cancer cell growth.
1-Benzo[1,3]dioxol-5-yl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
6-[4-(4-Methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
6-(2-Chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester
4,4,6-trimethyl-5,6-dihydro-3H,4H-spiro[1,3-benzothiazole-2,1-pyrrolo[3,2,1-ij]quinolin]-2-one
8-(2-methylphenoxy)-2-(4-morpholinyl)-1H-quinolin-4-one
2-[1-(2,6-Dioxocyclohexyl)-3-phenylprop-2-ynyl]cyclohexane-1,3-dione
(6aR,10Z,11aS,11bR)-10-(1-hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
(E)-3,4-Dihydroxy-N-[(2-Methoxynaphthalen-1-Yl)methylene]benzohydrazide
9-Methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1,7,9-trien-11-one
3-Hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
(2R,3S,9R)-5-Acetyl-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
9H-Pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6aR,11aS,11bR)-
(2R,3S,9R)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
[(3S,4R)-4-(6-methyloctanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide
5-(3,5-Dimethylpiperidin-1-yl)sulfonyl-1-methylindole-2,3-dione
2-Amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4h-chromene
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
4-Oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide
4-Hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid
3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one
N-[2-(1-cyclohexenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
N-(3-methyl-2-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
1-[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]ethanone (4-nitrophenyl)hydrazone
N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]butanamide
4-[5-[Oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester
(3S)-3-(4-methoxyphenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester
1-Phenyl-5-(N-p-tolyl-hydrazinomethylene)-pyrimidine-2,4,6-trione
N-[(2R,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
(2S,3S,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2R,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2S,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
(2R,3R,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2R,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
(2S,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
N-[3-(2-methoxyphenyl)imino-1,4-dioxo-2-naphthalenyl]acetamide
N-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]octanediamide
(1S,18R,20S)-18-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaene-19-carbaldehyde
Berberine
Berberine is an organic heteropentacyclic compound, an alkaloid antibiotic, a botanical anti-fungal agent and a berberine alkaloid. It has a role as an antilipemic drug, a hypoglycemic agent, an antioxidant, a potassium channel blocker, an antineoplastic agent, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor, an EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor, an EC 1.21.3.3 (reticuline oxidase) inhibitor, an EC 2.1.1.116 [3-hydroxy-N-methyl-(S)-coclaurine 4-O-methyltransferase] inhibitor, an EC 3.1.1.4 (phospholipase A2) inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 2.7.11.10 (IkappaB kinase) inhibitor, an EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor, a geroprotector and a metabolite. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. Berberine is a quaternary ammonia compound found in many botanical products, including goldenseal, barberry and Oregon grape, which is used for its purported antioxidant and antimicrobial properties for a host of conditions, including obesity, diabetes, hyperlipidemia, heart failure, H. pylori infection and colonic adenoma prevention. Berberine has not been linked to serum aminotransferase elevations during therapy nor to instances of clinically apparent liver injury. Berberine is a natural product found in Berberis poiretii, Thalictrum delavayi, and other organisms with data available. Berberine is a quaternary ammonium salt of an isoquinoline alkaloid and active component of various Chinese herbs, with potential antineoplastic, radiosensitizing, anti-inflammatory, anti-lipidemic and antidiabetic activities. Although the mechanisms of action through which berberine exerts its effects are not yet fully elucidated, upon administration this agent appears to suppress the activation of various proteins and/or modulate the expression of a variety of genes involved in tumorigenesis and inflammation, including, but not limited to transcription factor nuclear factor-kappa B (NF-kB), myeloid cell leukemia 1 (Mcl-1), B-cell lymphoma 2 (Bcl-2), B-cell lymphoma-extra large (Bcl-xl), cyclooxygenase (COX)-2, tumor necrosis factor (TNF), interleukin (IL)-6, IL-12, inducible nitric oxide synthase (iNOS), intercellular adhesion molecule-1 (ICAM-1), E-selectin, monocyte chemoattractant protein-1 (MCP-1), C-X-C motif chemokine 2 (CXCL2), cyclin D1, activator protein (AP-1), hypoxia-inducible factor 1 (HIF-1), signal transducer and activator of transcription 3 (STAT3), peroxisome proliferator-activated receptor (PPAR), arylamine N-acetyltransferase (NAT), and DNA topoisomerase I and II. The modulation of gene expression may induce cell cycle arrest and apoptosis, and inhibit cancer cell proliferation. In addition, berberine modulates lipid and glucose metabolism. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. See also: Goldenseal (part of); Berberis aristata stem (part of). Berberine is a quaternary ammonium salt that belongs to the protoberberine group of benzylisoquinoline alkaloids. Chemically, berberine is classified as an isoquinoline alkaloid. More specifically, berberine is a plant alkaloid derived from tyrosine through a complex 8 step biosynthetic process. Berberine is found in plants such as Berberis vulgaris (barberry), Berberis aristata (tree turmeric), Mahonia aquifolium (Oregon grape) and Hydrastis canadensis (goldenseal). Two other known berberine-containing plants are Phellodendron chinense and Phellodendron amurense. Berberine is usually found in the roots, rhizomes, stems, and bark of Berberis plants. Due to berberines intense yellow color, plants that contain berberine were traditionally used to dye wool, leather, and wood. Under ultraviolet light, berberine shows a strong yellow fluorescence, making it useful in histology for staining heparin in mast cells. Berberine is a bioactive plant compound that has been frequently used in traditional medicine. Among the known physiological effects or bioactivities are: 1) Antimicrobial action against bacteria, fungi, protozoa, viruses, helminthes, and Chlamydia; 2) Antagonism against the effects of cholera and E coli heat-stable enterotoxin; 3) Inhibition of intestinal ion secretion and of smooth muscle contraction; 4) Reduction of inflammation and 5) Stimulation of bile secretion and bilirubin discharge (PMID:32335802). Berberine can inhibit bacterial growth in the gut, including Helicobacter pylori, protect the intestinal epithelial barrier from injury, and ameliorate liver injury. Currently, berberine is sold as an Over-the-Counter (OTC) drug for treating gastrointestinal infections in China (PMID:18442638). Berberine also inhibits the proliferation of various types of cancer cells and impedes invasion and metastasis (PMID:32335802). Recent evidence has also confirmed that berberine improves the efficacy and safety of both chemo and radiotherapies for cancer treatment (PMID:32335802). Berberine has also been shown to regulate glucose and lipid metabolism in vitro and in vivo (PMID:18442638). In fact, berberine is the main active component of an ancient Chinese herb Coptis chinensis French, which has been used to treat diabetes for thousands of years. As an anti-diabetic, berberine increases glucose uptake by muscle fibers independent of insulin levels. It triggers AMPK activation and increases glycolysis, leading to decreased insulin resistance and decreased oxygen respiration. The same mechanism leads to a reduction in gluconeogenesis in the liver. AMPK activation by berberine also leads to an antiatherosclerotic effect in mice. Berberines AMPK activation may also underlie berberines anti-obesity effects and favorable influence on weight loss (PMID:18442638). While its use as a medication is widely touted, it is important to remember that berberine inhibits CYP2D6 and CYP3A4 enzymes, both of which are involved in the metabolism of many endogenous substances and xenobiotics, including a number of prescription drugs. An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. 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10-Acetyl-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indol-9-one
Gly-Gly-Phe-Gly
Gly-Gly-Phe-Gly is a peptide spacer and can be applied to Doxorubicin (HY-15142A) (DXR) conjugates[1].
7-hydroxy-5-methoxy-8-(3-methylbut-2-en-1-yl)-4-phenylchromen-2-one
[5-(hydroxymethyl)-6-[(1e)-3-hydroxyprop-1-en-1-yl]-4-methoxy-2-oxopyran-3-yl]methyl (2z,4e)-hexa-2,4-dienoate
(2r,3s,5e,9s)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
7-[(1s,3s)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol
5,7-dihydroxy-2-(1-hydroxy-4,4-dimethoxycyclohexyl)chromen-4-one
(1s,2s,10r,12r,13s,16r)-5,8,12,16-tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.0²,¹³.0⁴,⁹]hexadeca-4,6,8-trien-3-one
(1r,2r,10s,12s,13r,16s)-5,8,12,16-tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.0²,¹³.0⁴,⁹]hexadeca-4,6,8-trien-3-one
(2s)-5-methoxy-8,8-dimethyl-2-phenyl-2h,3h-pyrano[2,3-f]chromen-4-one
(3ar,4s,5s,11ar)-6-formyl-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl acetate
(3ar,4s,6as,9r,9as,9bs)-6a-hydroperoxy-9-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(4ar,8s,8as,9as)-4a,9a-dihydroxy-3,5,8a-trimethyl-2,7-dioxo-4h,8h,9h-naphtho[2,3-b]furan-8-yl acetate
1-[4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
5-hydroxy-7-methoxy-8-(3-methylbuta-1,3-dien-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
4-{5-[4-(acetyloxy)phenyl]penta-1,4-dien-1-yl}phenyl acetate
2-(4-hydroxybenzoyl)-5-isopropyl-3,5-dimethoxypyrazine-2,6-diol
2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-3-yl acetate
(2r,10r)-6-methoxy-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(21),4,6,8,13,15,19-heptaene
1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-8-yl)-3-phenylprop-2-en-1-one
methyl (13e,14s,16s,18s)-13-ethylidene-9-oxo-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
11-methoxy-2,2,12-trimethylnaphtho[2,1-f]chromene-8,9-diol
8-(3-hydroxy-3-methylbut-1-en-1-yl)-7-methoxy-2-phenylchromen-4-one
4-{8,8-dimethyl-2h-pyrano[2,3-h]chromen-3-yl}-3-methoxyphenol
(1s,2r,3r,5s,9s,10s,11r)-3-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-2-yl acetate
8-chloro-5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-en-1-yl)chromene-6-carboxylic acid
(1r,2r,3r,6s,8s,10s,12s)-3,8-dimethyl-4,14-dioxo-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-en-12-yl acetate
1-{14-hydroxy-5,5-dimethyl-3-oxo-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,6,8,10,12(15),13-hexaen-4-yl}butane-1,3-dione
(1'r,2's,3s,5's,6'r,8's,11's)-2'-ethenyl-2-hydroxy-4'-methyl-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-3'-one
(4s,5s,7s)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),2,9(16),10,12-pentaene
14-acetyl-15-hydroxy-13,13-dimethyl-4,16-diazapentacyclo[12.2.1.1⁹,¹².0²,¹¹.0⁵,¹⁰]octadeca-2,5,7,9,15-pentaen-17-one
6-hydroxy-3,15-dimethyl-4,13-dioxo-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadec-2-en-9-yl acetate
7-hydroxy-5,9,9,17-tetramethyl-4-oxa-8,17-diazapentacyclo[10.6.1.0²,¹⁰.0³,⁵.0¹⁶,¹⁹]nonadeca-1,7,10,12,14,16(19)-hexaen-18-one
(2r,3r,5z,9r)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
(2r,3r,4s,5r)-2-[(5-hydroxy-4-methoxy-7-methylnaphthalen-2-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
2-[3-(hydroxymethyl)phenoxy]-3-[2-(4-hydroxyphenyl)ethyl]phenol
3-(3-hydroxy-4-methoxyphenyl)-n-[2-(1h-indol-3-yl)ethyl]prop-2-enimidic acid
5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
17-epinaucleidinal
{"Ingredient_id": "HBIN002046","Ingredient_name": "17-epinaucleidinal","Alias": "NA","Ingredient_formula": "C20H20N2O3","Ingredient_Smile": "CC1C(C2CC3C4=C(CCN3C(=O)C2=CO1)C5=CC=CC=C5N4)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6972","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-9-methoxy-10-(3,3-dimethylallyl)pterocarpene
{"Ingredient_id": "HBIN008689","Ingredient_name": "3-hydroxy-9-methoxy-10-(3,3-dimethylallyl)pterocarpene","Alias": "NA","Ingredient_formula": "C21H20O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
berberime
{"Ingredient_id": "HBIN017892","Ingredient_name": "berberime","Alias": "NA","Ingredient_formula": "C20H18NO4+","Ingredient_Smile": "COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24513","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
