Exact Mass: 341.0899
Exact Mass Matches: 341.0899
Found 423 metabolites which its exact mass value is equals to given mass value 341.0899,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aristolochic acid
Aristolochic acid A is an aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. It has a role as a nephrotoxin, a carcinogenic agent, a mutagen, a toxin and a metabolite. It is a monocarboxylic acid, a C-nitro compound, a cyclic acetal, an organic heterotetracyclic compound, an aromatic ether and a member of aristolochic acids. Aristolochic acid is a natural product found in Thottea duchartrei, Aristolochia, and other organisms with data available. Aristolochic acids are a family of carcinogenic, mutagenic, and nephrotoxic compounds commonly found in the Aristolochiaceae family of plants, including Aristolochia and Asarum (wild ginger), which are commonly used in Chinese herbal medicine. Aristolochic acid I is the most abundant of the aristolochic acids and is found in almost all Aristolochia species. Aristolochic acids are often accompanied by aristolactams. See also: Aristolochia fangchi root (part of). D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
Propiconazole
CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9692; ORIGINAL_PRECURSOR_SCAN_NO 9687 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9695; ORIGINAL_PRECURSOR_SCAN_NO 9694 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9733; ORIGINAL_PRECURSOR_SCAN_NO 9731 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9714; ORIGINAL_PRECURSOR_SCAN_NO 9713 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9736; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2400 C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 212 CONFIDENCE standard compound; INTERNAL_ID 8415 CONFIDENCE standard compound; INTERNAL_ID 2576 CONFIDENCE standard compound; INTERNAL_ID 4035 KEIO_ID T108; [MS2] KO009255 KEIO_ID T108
Tepraloxydim
CONFIDENCE standard compound; INTERNAL_ID 2335 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3178
2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
6-(alpha-D-Glucosaminyl)-1D-myo-inositol is a cleavage product of glycosylphosphatidylinositol phospholipase D. This enzyme catalyzes the following reaction: 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + H2O =. 6-(alpha-D-glucosaminyl)-1D-myo-inositol + 3-sn-phosphatidate. 6-(alpha-D-Glucosaminyl)-1D-myo-inositol is a cleavage product of glycosylphosphatidylinositol phospholipase D. This enzyme catalyzes the following reaction: 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + H2O = Same as: G12396
protodeoxyviolaceinic acid
A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups.
1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside
Alpha-hydroxymidazolam
Alpha-hydroxymidazolam is a metabolite of midazolam. Midazolam, marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
Gravacridonediol
Gravacridonediol is found in herbs and spices. Gravacridonediol is an alkaloid from the root tissue cultures of Ruta graveolens (rue
4-Hydroxynornantenine
4-Hydroxynornantenine is found in herbs and spices. 4-Hydroxynornantenine is an alkaloid from the wood of Laurelia sempervirens (Peruvian nutmeg). Alkaloid from the wood of Laurelia sempervirens (Peruvian nutmeg). 4-Hydroxynornantenine is found in herbs and spices.
7-Chloro-6-demethylcepharadione B
7-Chloro-6-demethylcepharadione B is found in herbs and spices. 7-Chloro-6-demethylcepharadione B is an alkaloid from Houttuynia cordata (Yu Xing Cao).
4-hydroxymidazolam
4-hydroxymidazolam is a metabolite of midazolam. Midazolam (marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
Lactosamine
Lactosamine is a disaccharide composed of galactose b1,4-linked to N-acetylglucosamine, and is a common constituent of complex N-linked glycans in metazoans. Unmodified terminal lactosamine, however, is less typical in tissues, since it is often further modified by additional substitutions, such as fucose, sialic acid, or sulfate to form a number of significant receptor and signaling molecules. Lactosamine-containing glycans are also required for proper targeting and maintenance of olfactory axons, and may also function in other sensory regions.(PMID: 17111357). Isolated from human milk
Alkaloid A6
Alkaloid A6 is found in herbs and spices. Alkaloid A6 is an alkaloid A6 is an alkaloid from callus cultures of several Ruta species. Alkaloid from callus cultures of several Ruta subspecies Alkaloid A6 is found in herbs and spices.
HBOA glucuronide
2-Hydroxy-1,4-benzoxazin-3-one glucuronide (HBOA glucuronide) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 23681766).
2-Hydroxy-1,4-benzoxazin-3-one glucuronide
Iberin-cysteine-glycine
(2,5-Dihydroxypyrrol-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
(2,5-Dioxopyrrolidin-1-yl) 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
(2R,3S,4R,5R,8R,9S,10R,11R)-5-Amino-1,2,3,4,8,9,10,11-octahydroxydodecane-6,7-dione
N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide
Nep-IN-2
6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid
PF-06409577 is a potent and selective allosteric activator of AMPK α1β1γ1 isoform with an EC50 of 7 nM.
7,8-Dimethoxy-1-(4-nitrophenyl)-3,5-dihydro-2,3-benzodiazepin-4-one
ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate
1-(3,4-Dihydroxybenzoyl)-6,7-dihydroxy-3-isoquinolinecarboxylic acid
Nitroxazepine
sialic acid thiol
Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)-
3-Amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
N-[[(5S)-3-(4,6-Dihydropyrrolo[1,2-a][4,1]benzoxazepin-8-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
4-methylthiobutyldesulfoglucosinolate
4-methylthiobutyldesulfoglucosinolate is a member of the class of compounds known as thioglycosides. Thioglycosides are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond. 4-methylthiobutyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-methylthiobutyldesulfoglucosinolate can be found in a number of food items such as grapefruit/pummelo hybrid, winged bean, european cranberry, and eggplant, which makes 4-methylthiobutyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
Aristolochic acid III
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-methoxy-6-nitro- is a natural product found in Aristolochia argentina, Aristolochia clematitis, and other organisms with data available.
7-Chloro-6-demethylcepharadione B
(+)-1,2-Dimethoxy-3-hydroxy-9,10-methylenedioxynoraporphine
N-({[4-(Trifluoromethoxy)anilino]carbonyl}oxy)pyrazine-2-carboximidamide
5,6-dimethoxy-2-(3,4-dimethoxyphenyl)-1h-quinolin-4-one
(+)-1,2-dimethoxy-3-hydroxy-9,10-methylenedioxynoraporphine|S-(+)-3-hydroxynornantenine trifluoroacetic acid salt
4-amino-4-deoxy-alpha-D-glucopyranosyl alpha-D-glucopyranoside|4-Trehalosamin
B,HCl-2-Trehalosamine|B,HCL-Mannosylglucosaminide|Mannosylglucosaminide
N-[4-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester
desulfo-4-(methylsulfinyl)butyl GL|desulfoglucoraphanin|DS-GRA
methyl (3aR,11bR)-2,3-dihydro-11-hydroxy-10-methoxy-3-methyl-4-oxo-1H-benzo[6,7]indeno[1,7a-b]pyrrole-3a(4H)-carboxylate|sinoraculine
iotrochamide A|N-(Z)-2-methoxycinnamoyl-L-tyrosine
3,5-Bis(4-hydroxy-3-methoxyphenyl)-5,6-dihydropyridine-2(1H)-one
1-hydroxy-2,3,9-trimethoxy-7H-dibenzoquinoline-7-one|sinofranine
Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-,2-hydroxyethyl ester
(-)-8-oxo-2,11-dihydroxy-3,10-dimethoxyberberine|coreximine
(-)-8-oxo-3,10-dihydroxy-9,11-dimethoxy-5,6,13,14-tetrahydroberberine|pendulamine A
Pyranose-form-6-O-(2-Amino-2-deoxy-beta-D-glucopyranoxyl)-D-galactose
bisindolylmaleimide v
Bisindolylmaleimide V is a cell-permeable negative control for protein kinase C inhibition studies with an IC50 value over 100 μM[1]. Bisindolylmaleimide V blocks the activation of mitogen-stimulated protein kinase p70s6k/p85s6k (S6K) in vivo with an IC50 of 8 μM[2].
1-Hydroxymidazolam
An imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam. CONFIDENCE standard compound; INTERNAL_ID 2277
PROPICONAZOLE
C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-Hydroxymidazolam
An imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at position 4. It is the minor hydroxylated metabolite of the anesthetic, midazolam.
PC(2:0/2:0)
PC(2:0/2:0)[S]
Ro 31-6045
Bisindolylmaleimide V is a cell-permeable negative control for protein kinase C inhibition studies with an IC50 value over 100 μM[1]. Bisindolylmaleimide V blocks the activation of mitogen-stimulated protein kinase p70s6k/p85s6k (S6K) in vivo with an IC50 of 8 μM[2].
Biotin NHS
Gravacridonediol
An acridone derivative with formula C19H19NO5. It is isolated from the roots of Ruta graveolens and Thamnosma rhodesica.
4-Hydroxynornantenine
9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
3-[3-(1,3-benzodioxol-5-yloxy)-2-oxopyrrolidin-1-yl]benzoic acid
2-Naphthalenecarboxamide,N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-
Climazolam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-[4-(TERT-BUTYLDIMETHYLSILYLOXYMETHYL)-2-NITROPHENOXY]ACETIC ACID
4-METHOXY-5-NITRO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
(1R,4S) Sertraline Hydrochloride
6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine
tert-Butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
2′-O-(2-Methoxyethyl)guanosine
2′-O-(2-Methoxyethyl)guanosine (2'-O-MOE-rG), a 2′-O-methoxyethyl-modified nucleoside, can be produced by enzymatic conversion (adenosine deaminase) from 2′-O-(2-methoxyethyl)-2,6-diaminopurine riboside. 2′-O-(2-Methoxyethyl)guanosine neither effectively phosphorylated by cytosolic nucleoside kinases, nor are they incorporated into cellular DNA or RNA[1][2].
2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)MALONIC ACID
tert-butyl 4-(6-bromopyridin-3-yl)piperazine-1-carboxylate
N-methyl-1-(5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)methanamine
3-(1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl)acrylic acid
Cetraxate HCl
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
4-TRIMETHYLAMMONIUM-2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYL IODIDE
Benzenesulfonamide,N-ethyl-4-methyl-N-(5-phenyl-2-furanyl)-
VU0152100
VU0152100 (VU152100) is a highly selective mAChR positive allosteric modulator (permeable to the blood-brain barrier). VU0152100 reverses Amphetamine-induced hypermotility in rats and increased levels of extracellular dopamine in nucleus accumbens and caudate-putamen. VU0152100 has good research potential in psychosis and cognitive impairment associated with mental disorders such as schizophrenia[1][2].
BENZYL 1,1-DICHLORO-2-OXO-7-AZASPIRO[3.5]NONANE-7-CARBOXYLATE
3-(5-Fluoro-2,4-dinitroanilino)-2,2,5,5,-tetramethyl-1-pyrrolidinyloxy
tert-Butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate
N-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide
ETHYL 4-(4-METHOXYPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
3-amino-2-nitro-1-phenyl-9,10-dihydrophenanthrene-4-carbonitrile
cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride
1-(1-BENZYLPIPERIDIN-4-YL)-5-CHLORO-1H-BENZO[D]IMIDAZOL-2(3H)-ONE
methyl (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate
(E)-4-Methyl-N-(1-(2-(trifluoroMethyl)phenyl)ethylidene)benzenesulfonaMide
2-(2-METHYL-1H-BENZO[D]IMIDAZOL-1-YL)-PROPANOIC ACID
tert-Butyl 4-(3-bromopyridin-2-yl)piperazine-1-carboxylate
3-CHLORO-N-METHYL-N-((3-(P-TOLYL)-1,2,4-OXADIAZOL-5-YL)METHYL)BENZAMIDE
tert-butyl 4-(5-bromopyridin-3-yl)piperazine-1-carboxylate
6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)-5-CHLORONICOTINIC ACID
4-chloro-N-(2-methylquinolin-6-yl)-2-nitrobenzamide
Benzamide, 3-fluoro-N-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxyphenyl)-
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator 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 C1892 - Chemopreventive Agent
Atropine oxide hydrochloride
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Palifosfamide tromethamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)-
2,5-Dioxopyrrolidin-1-yl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide
4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
3,5-Dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]isoxazole
4-chloro-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
2-[(2-Fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile
2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]-1H-imidazole-4-carboxamide
5-Cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
1,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-OL
1-Hydroxy-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)-4-phenylpyrrole
Sertraline hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
6-Hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoate
N-(6-Aminohexyl)-1-chloro-naphthalene-5-sulfonamide
Sulfanyl 5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
N-[[(5S)-3-(4,6-Dihydropyrrolo[1,2-a][4,1]benzoxazepin-8-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
4-[[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester
2-(1H-benzimidazol-2-ylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-5-nitro-2-furancarboxamide
4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione
(2R,3R,4S,5R)-2-amino-3,4,6-trihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
1-(3,5-Dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
3-(3,7-Dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate
1-(3-Chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]thiourea
3-chloro-N-propan-2-yl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
N-(2-furanylmethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide
1-(5-Chloro-2-methoxyphenyl)-3-[3-(2-oxo-1-pyrrolidinyl)propyl]thiourea
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylazepane
(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-1,3-thiazolidine-2,4-dione
N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester
2-[(4-Fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile
1-[4-[(2-Hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone
[4-(2-Methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione
2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(2-oxolanylmethyl)acetamide
2-Deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5-phosphate
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-methoxyanilino)acetamide
N-[(E)-1-[4-[(2,2,2-Trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide
N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide
2,4,7,9-tetrahydroxy-6-methyl-8-(2-methylbut-3-en-2-yl)-1-oxo-1H-phenalen-3-ol
(4-Fluorophenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
D-galacto-hexopyranosyl 2-amino-2-deoxy-D-gluco-hexopyranoside
5-(1,4-Diazepan-1-ylsulfonyl)-4-(difluoromethyl)isoquinoline
2,3,9-Trihydroxy-7-methyl-5-(2-methylbut-3-en-2-yl)-4,6-dioxophenalen-1-olate
INDOLE-1-ACETIC ACID, 3-(p-FLUOROBENZOYL)-6-METHOXY-2-METHYL-
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] butanoate
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] pentanoate
Aristolochic_acid
Aristolochic acid A is an aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. It has a role as a nephrotoxin, a carcinogenic agent, a mutagen, a toxin and a metabolite. It is a monocarboxylic acid, a C-nitro compound, a cyclic acetal, an organic heterotetracyclic compound, an aromatic ether and a member of aristolochic acids. Aristolochic acid is a natural product found in Thottea duchartrei, Aristolochia, and other organisms with data available. Aristolochic acids are a family of carcinogenic, mutagenic, and nephrotoxic compounds commonly found in the Aristolochiaceae family of plants, including Aristolochia and Asarum (wild ginger), which are commonly used in Chinese herbal medicine. Aristolochic acid I is the most abundant of the aristolochic acids and is found in almost all Aristolochia species. Aristolochic acids are often accompanied by aristolactams. See also: Aristolochia fangchi root (part of). An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
2-Phenethylsulfanyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
A D-glucosaminide consisting of 2-aminoglucosamine attached to 1D-myo-inositol at the 6-position via an alpha-linkage. Same as: G12396
ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate
1-(3,4-Dihydroxybenzoyl)-6,7-dihydroxy-3-isoquinolinecarboxylic acid
Lactosamine
A disaccharide that consists of D-glucosamine having a beta-D-galactosyl residue attached at position 4.
3-linalylflaviolin-2-olate
An organic anion that is the conjugate base of 3-linalylflaviolin, obtained by deprotonation of the 2-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
2-deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5-monophosphate
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having 5,6-dihydroxy-5,6-dihydrocytosine as the nucleobase. It is a metabolite produced by the bacterium Mycoplasma genitalium.
L-655708
L-655708 is a potent α5 subunit-selective GABAA receptor inverse agonist (Ki=0.45 nM).
(9bs,11r)-7,8,11-trimethoxy-2h,10h,11h-indolo[7a,1-a]isoquinoline-4,5-dione
4-methoxy-3-methyl-6-[4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]pyran-2-one
8-chloro-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
9'-hydroxy-7',8'-dimethoxy-1',5',6',10'b-tetrahydrospiro[cyclohexane-1,2'-pyrrolo[2,1-a]isoquinoline]-2,5-diene-3',4-dione
2-bromo-6-[(dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
methyl 8-hydroxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
3,4,5-trihydroxy-6-methyloxan-2-yl 6-chloro-1h-indole-3-carboxylate
(12bs)-3,4-dihydroxy-10,11-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
(5s)-14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
4-methoxy-3-methyl-6-[(2e,4e)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]pyran-2-one
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-15-ol
(11r,12s)-18-hydroxy-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
4-[(3e,5e)-6-chloro-3-(chloromethylidene)hex-5-en-1-yl]-2-(hept-6-yn-1-yl)-1,3-thiazole
Annosqualine
{"Ingredient_id": "HBIN016232","Ingredient_name": "Annosqualine","Alias": "NA","Ingredient_formula": "C19H19NO5","Ingredient_Smile": "COC1=C2CCN3C(C2=CC(=C1OC)O)CC4(C3=O)C=CC(=O)C=C4","Ingredient_weight": "341.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35631","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12096980","DrugBank_id": "NA"}
Ariskanin A
{"Ingredient_id": "HBIN016753","Ingredient_name": "Ariskanin A","Alias": "AC1NSZ0Y; ariskanin a; methyl 3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate; 128397-31-9","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "COC1=C(C2=C(C(=C1)C(=O)OC)C(=CC3=CC=CC=C32)[N+](=O)[O-])OC","Ingredient_weight": "341.31","OB_score": "109.5065256","CAS_id": "128397-31-9","SymMap_id": "SMIT11790;SMIT14370","TCMID_id": "1691","TCMSP_id": "MOL010799","TCM_ID_id": "21669","PubChem_id": "5320068","DrugBank_id": "NA"}
aristolochic acid b ii methyl ester
{"Ingredient_id": "HBIN016803","Ingredient_name": "aristolochic acid b ii methyl ester","Alias": "NA","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
