Exact Mass: 270.11504080000003
Exact Mass Matches: 270.11504080000003
Found 500 metabolites which its exact mass value is equals to given mass value 270.11504080000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tolbutamide
Tolbutamide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It is structurally similar to acetohexamide, chlorpropamide and tolazamide and belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Tolbutamide appears to be metabolized in the liver. Tolbutamide and its metabolites are excreted in urine (75-85\\%) and feces. CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4159; ORIGINAL_PRECURSOR_SCAN_NO 4157 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8370; ORIGINAL_PRECURSOR_SCAN_NO 8367 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8423; ORIGINAL_PRECURSOR_SCAN_NO 8420 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8415; ORIGINAL_PRECURSOR_SCAN_NO 8413 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4159; ORIGINAL_PRECURSOR_SCAN_NO 4156 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4203; ORIGINAL_PRECURSOR_SCAN_NO 4202 ORIGINAL_ACQUISITION_NO 8354; CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8415; ORIGINAL_PRECURSOR_SCAN_NO 8412 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4133; ORIGINAL_PRECURSOR_SCAN_NO 4130 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8326; ORIGINAL_PRECURSOR_SCAN_NO 8324 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8354; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4157 A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CA - Tests for diabetes D007004 - Hypoglycemic Agents
10,11-Dihydroxycarbamazepine
C15H14N2O3 (270.10043740000003)
10,11-Dihydroxycarbamazepine, also called carbamazepine diol, is a metabolite of both carbamazepine and oxcarbazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. Oxcarbazepine is an anticonvulsant and mood-stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. (Wikipedia) CONFIDENCE standard compound; INTERNAL_ID 8581 CONFIDENCE standard compound; INTERNAL_ID 2668 CONFIDENCE standard compound; INTERNAL_ID 4109
Chloroprocaine
C13H19ClN2O2 (270.11349839999997)
Chloroprocaine hydrochloride is a local anesthetic given by injection during surgical procedures and labor and delivery. Chloroprocaine, like other local anesthetics, blocks the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse and by reducing the rate of rise of the action potential. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Hypoglycin B
Hypoglycin B is found in fruits. Hypoglycin B is a biologically active component of Blighia sapida (akee apple) Hypoglycin B is a naturally occurring organic compound in the species Blighia sapida. It is particularly concentrated in the fruit of the plant especially in the seeds. Hypoglycin B is toxic if ingested and is a causative agent of Jamaican Vomiting Sickness. It is an amino acid and chemically related to lysine Biologically active component of Blighia sapida (akee apple)
Tetaine
A non-ribosomally synthesised dipeptide that consists of L-alanyl and anticapsin units linked by a peptide bond.
4-tert-Butylphenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Migration residue from food packaging. Migration residue from food packaging
Aspartyl-Histidine
Aspartyl-Histidine is a dipeptide composed of aspartate and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylaspartic acid
Histidylaspartic acid is a dipeptide composed of histidine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
N-Desmethylpromazine
N-Desmethylpromazine is only found in individuals that have used or taken Promazine. N-Desmethylpromazine is a metabolite of Promazine. N-desmethylpromazine belongs to the family of Phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
D-erythro-L-galacto-Nonulose
D-erythro-L-gluco-Nonulose is found in avocado. D-erythro-L-gluco-Nonulose is isolated from avocado.
Fenethazine
Fenethazine (phenethazinum) is a first-generation phenothiazine H1-antihistamine.
(2S,3R,4R,5S,6S)-2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
Ciproxifan
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
Morinidazole
C254 - Anti-Infective Agent > C258 - Antibiotic
1-Piperidineethanol, alpha-((2-nitro-1H-imidazol-1-yl)methyl)-, 1-oxide
voxtalisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively. Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively.
Benzyl beta-D-glucopyranoside
A beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a benzyloxy group.
Resveratrol trimethyl ether
Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1] Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1]
7-Methoxy-beta-Carboline 1-propionic acid
C15H14N2O3 (270.10043740000003)
4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
C15H14N2O3 (270.10043740000003)
3,4-Dihydro-5-methoxy-6-methyl-2-phenyl-2H-1-benzopyran-7-ol
2,3,7-trimethoxy-phenazine|2,3,7-Trimethoxyphenazin
C15H14N2O3 (270.10043740000003)
(2S)-4,7-dihydroxy-6,8-dimethylflavane|(2S)-7,4-dihydroxy-6,8-dimethylflavane
3,5-Dimethyl-4-(methoxymethyl)-9-methoxynaphtho[2,3-b]furan
4bbeta,7-Dihydroxy-1-methyl-8-methylene-1,3,4a(10a)-gibbatrien-10-one
(3R,4S)-3-(2-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-4-ol|conferol B
2-(3,4-dihydroxy-1-butylenyl)-5-(2,3,4-trihydroxybutyl)-pyrazine|tatarinine A
NG-061
C15H14N2O3 (270.10043740000003)
A quinone imine that is 1,4-benzoquinone imine substituted by a methoxy group at position 3 and a (phenylacetyl)nitrilo group attached to the nitrogen atom. Isolated from the fermentation broth of Penicillium minioluteum, it exhibits neurotrophic effect of NGF.
2-Methoxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol
(Z)-8-acetoxy-1,2-epoxy-9,14-pentadecadiene-4,6-diyne
2(S)-3-hydroxy-1-(4-hydroxyphenyl)-5-phenyl-1-pentanone
(2R,3S,4S,5R,6S)-2-hydroxymethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol|arbutine|hydroquinone beta-D-glucopyranoside
7-methoxy-2,8-dimethyl-9,10-dihydrophenantherene-3,6-diol|neonthrene
(3S,4S)-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromene-4,10-diol|cichorin C
2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Phenylhydrazide
COC1=CC=CC2=NC3=C(OC)C(OC)=CC=C3N=C21
C15H14N2O3 (270.10043740000003)
Di-Me ether-3,4,5-Trimethylnaphtho[2,3-b]furan-6,8-diol
7-methyl-1,3,4,5,6,9-hexahydro-azecino[4,5,6-cd]indole-4-carboxylic acid|Clavicipitsaeure
rel-(3aR,4R,5S,7aS)-2-acetyl-3a,4,5,6,7,7a-hexahydro-7a-hydroxy-1H-inden-5-yl acetate|rel-1-[(3aR,4R,5S,7aS)-5-(acetyloxy)-3a,4,5,6,7,7a-hexahydro-7a-hydroxy-3a,4-dimethyl-1H-inden-2-yl]ethanone
7-hydroxy-3-(4-methoxybenzyl)-chroman|7-hydroxy-3-(4-methoxybenzyl)chroman
2,5-Dihydroxy-3-isoprenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde|2,5-dihydroxy-3-isopropenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
(E)-3,5,4-Trimethoxystilbene
(E)-3,5,4-Trimethoxystilbene is a natural product found in Dalea versicolor, Streptomyces avermitilis, and other organisms with data available. Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1] Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1]
7-Methoxy-b-carboline-1-propionicacid
C15H14N2O3 (270.10043740000003)
7-Methoxy-beta-carboline-1-propionic acid is a natural product found in Eurycoma longifolia with data available.
10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2701 CONFIDENCE standard compound; INTERNAL_ID 2039
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0⁷,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate
tolbutamide
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CA - Tests for diabetes An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position. D007004 - Hypoglycemic Agents
Cuscutamine
C15H14N2O3 (270.10043740000003)
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based on: CCMSLIB00000845774]
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based: Match]
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0⁷,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate_major
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0?,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate
Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)
Asp-his
A dipeptide composed of L-aspartic acid and L-histidine joined by a peptide linkage.
His-asp
A dipeptide formed from L-histidine and L-aspartic acid residues.
UV absorber NL 3
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
tert-Butyl Methyl(2-(2,2,2-trifluoroacetamido)ethyl)carbamate
Benzyl 4-piperidinylcarbamate hydrochloride (1:1)
C13H19ClN2O2 (270.11349839999997)
BENZYL (5-ACETYLPYRIDIN-2-YL)CARBAMATE
C15H14N2O3 (270.10043740000003)
4-(4-hydroxy-phenylazo)benzoic acid ethyl ester
C15H14N2O3 (270.10043740000003)
Benzenamine,N,N-dimethyl-4-[2-(3-nitrophenyl)diazenyl]-
(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHANAMINE
2-AMINO-4-(4-ISOBUTYLPHENYL)-5-METHYLTHIOPHENE-3-CARBONITRILE
3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
(4-FLUORO-3-NITRO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
TERT-BUTYL N-[(4-CYCLOPROPYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL)METHYL]CARBOXYLATE
C11H18N4O2S (270.11504080000003)
N-CYCLOPROPYL-6-(PIPERIDIN-4-YLOXY)PYRIMIDIN-4-AMINE HYDROCHLORIDE
BENZYL PIPERIDIN-3-YLCARBAMATE HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
(3-PYRROLIDINYLMETHYL)-CARBAMIC ACID BENZYL ESTER-HCL
C13H19ClN2O2 (270.11349839999997)
n-(3-methoxyphenyl)-3-oxo-3-pyridin-3-ylpropanamide
C15H14N2O3 (270.10043740000003)
(2S,5S)-5-BENZYL-3-METHYL-2-(5-METHYL-2-FURYL)-4-IMIDAZOLIDINONE
(2S,4S,5R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
2-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
Benzenepropanoic acid, .beta.-hydroxy-.beta.-phenyl-, ethyl ester
Ethyl 5-amino-4-cyano-1-(p-tolyl)-1H-pyrazole-3-carboxylate
Ethyl5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate
(R)-1-Cbz-3-Aminomethylpyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
(R)-Benzyl 2-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(S)-1-Cbz-3-Aminomethylpyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
(S)-1-N-CBZ-2-METHYL-PIPERAZINE-HCl
C13H19ClN2O2 (270.11349839999997)
4-AMINO-1-BENZYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid methyl ester nitrate
tert-butyl N-[2-amino-2-(2-chlorophenyl)ethyl]carbamate
C13H19ClN2O2 (270.11349839999997)
6,7-dimethoxy-1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
4-(2-Iso-Propylamino Acetyl)Methane Sulfonanilide HCl
3-HYDROXY-3-(4-METHOXY-PHENYL)-2-METHYL-1-PHENYL-PROPAN-1-ONE
N-[2-AMINO-2-(3-CHLOROPHENYL)ETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
C13H19ClN2O2 (270.11349839999997)
BIS(3-CHLORO-1,2,4-THIADIAZOL-5-YLSULFINYL)METHANE
1-tert-butyl 2-Methyl 4-azidopyrrolidine-1,2-dicarboxylate
1,3-Bis((trimethylsilyl)ethynyl)benzene
C16H22Si2 (270.12599720000003)
Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
2-CYANO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-ACETAMIDE
tert-butyl N-[[2-(aminomethyl)-4-chlorophenyl]methyl]carbamate
C13H19ClN2O2 (270.11349839999997)
2-(3,4-difluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TERT-BUTYL 2-(HYDROXYMETHYL)-6,7-DIHYDROTHIAZOLO[4,5-C]PYRIDINE-5(4H)-CARBOXYLATE
[1,4-Bipiperidine]-3-methanol dihydrochloride
C11H24Cl2N2O (270.12655939999996)
3-[(4-methylpiperazin-1-yl)methyl]benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carbonitrile
3-(2,3-DIMETHYLPHENOXYMETHYL)-4-METHOXYBENZALDEHYDE
5-(TERT-BUTOXYCARBONYLAMINO-METHYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate
2-{METHYL[2-(TRIFLUOROMETHYL)QUINOLIN-4-YL]AMINO}ETHAN-1-OL
1-(4-Hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
tert-butyl N-[2-amino-2-(4-chlorophenyl)ethyl]carbamate
C13H19ClN2O2 (270.11349839999997)
3-AMINO-1-BENZYLOXYCARBONYLPIPERIDINEHYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
R-1-CBZ-2-aminomethyl pyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
R-2-(CBZ-AMINOMETHYL)PYRROLIDINE-HCl
C13H19ClN2O2 (270.11349839999997)
(5-((TERT-BUTYLDIMETHYLSILYL)OXY)-2-FLUOROPHENYL)BORONIC ACID
C12H20BFO3Si (270.12587320000006)
(S)-Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(1-benzyltriazol-4-yl)methoxymethyl-trifluoroboranuide
3-(2,6-DIMETHYLPHENOXYMETHYL)-4-METHOXYBENZALDEHYDE
2-(DIETHOXYMETHYL)-5,6-DIFLUORO-1-METHYL-1H-BENZO[D]IMIDAZOLE
ethyl 3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylate
5-(ISOPROPYLSULFONYL)-2-TETRAHYDRO-1H-PYRROL-1-YLPYRIMIDIN-4-AMINE
C11H18N4O2S (270.11504080000003)
1,2-Diphenyltetramethyldisilane
C16H22Si2 (270.12599720000003)
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL METHYLAMINE CHLORIDE
2,2-Azobis(2-methylpropionamidine) dihydrochloride
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
1,4-Bis[(trimethylsilyl)ethynyl]benzene
C16H22Si2 (270.12599720000003)
2-nitro-n-(1-phenylethyl)benzamide
C15H14N2O3 (270.10043740000003)
(2R)-1-(2,4-Difluorophenyl)-2-(tetrahydro-2H-pyran-2-yloxy)-1-propanone
2-(2,6-difluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Benzo[1,3]dioxol-5-ylMethyl-piperidin-4-yl-aMine hydrochloride
C13H19ClN2O2 (270.11349839999997)
piperazineacetic acid benzyl este
C13H19ClN2O2 (270.11349839999997)
2-(2-(DIFLUOROMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
4-AMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
C13H19ClN2O2 (270.11349839999997)
2-(4-Chloro-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-(DIFLUOROMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
7-(Tert-Butoxycarbonyl)-1-Oxa-2,7-Diazaspiro[4.4]Non-2-Ene-3-Carboxylic Acid
TERT-BUTYL (3-(2-AMINOETHYL)-5-CHLOROPHENYL)CARBAMATE
C13H19ClN2O2 (270.11349839999997)
ETHYL 2-((3-AMINO-5-CHLOROPHENETHYL)(METHYL)AMINO)ACETATE
C13H19ClN2O2 (270.11349839999997)
N,N-Dimethyl-2-(piperazin-1-yl)nicotinamide hydrochloride
2-(CBZ-AMINOMETHYL)PYRROLIDINE HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester
(4-tert-butylphenyl)-(2,4-dihydroxyphenyl)methanone
(R)-Benzyl 3-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(R)-Benzyl 3-aminopiperidine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(S)-Benzyl 3-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
benzyl 3-(aminomethyl)pyrrolidine-1-carboxylate,hydrochloride
C13H19ClN2O2 (270.11349839999997)
benzyl N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate,hydrochloride
C13H19ClN2O2 (270.11349839999997)
2-((3,5-Dimethyl-4-hydroxyphenyl)azo)benzoic acid
C15H14N2O3 (270.10043740000003)
4-(1H-Imidazol-4-YL)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1H-pyrazole
1-(4-Nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol
rac trans-10,11-Dihydro-10,11-dihydroxy Carbamazepine
C15H14N2O3 (270.10043740000003)
3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium
N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide
C13H19ClN2O2 (270.11349839999997)
6-Amino-4-(3-furanyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-Amino-4-(2-furanyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-(4-Ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
2-(4-Methylanilino)-1-(4-nitrophenyl)ethanone
C15H14N2O3 (270.10043740000003)
(2R,3R,4S,5R)-2-(6-hydroxy-3,6-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Disilane, 1,1,1,2-tetramethyl-2,2-diphenyl-
C16H22Si2 (270.12599720000003)
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 5,6-dihydro-1-oxo-, ethyl ester
C15H14N2O3 (270.10043740000003)
4-(Quinolin-3-Ylmethyl)piperidine-1-Carboxylic Acid
2-[(1S)-1-Benzyl-2-sulfanylethyl]-1H-imidazo[4,5-C]pyridin-5-ium
Voxtalisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively. Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively.
D-erythro-L-galacto-Nonulose
D-erythro-L-gluco-Nonulose is found in avocado. D-erythro-L-gluco-Nonulose is isolated from avocado. Isolated from avocado. D-erythro-L-gluco-Nonulose is found in avocado and fruits.
N-[(1E)-2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene]-2-phenylacetohydrazide
C15H14N2O3 (270.10043740000003)
Phenol, 2,4-dimethoxy-5-[(1R)-1-phenyl-2-propenyl]-
(5S)-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid
C15H14N2O3 (270.10043740000003)
(2S)-2-amino-5-[[(1S)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]amino]-5-oxopentanoic acid
methyl-1-(2,2-dimethylindan-1S-yl)-imidazole-5-carboxylate
R-(-)-methyl-1-(2,2-dimethylindan-1-yl)-imidazole-5-carboxylate
(2S)-4-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)-1,2-dihydropyrrol-5-one
C15H14N2O3 (270.10043740000003)
4-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-2-(methylamino)butanoic acid
4-{4-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}-2-(methylazaniumyl)butanoate
Conferol B
A member of the class of isoflavans that is isoflavan with a hydroxy group at position 4, a methyl group at position 7 and a methoxy group at position 2 (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay.
3-Anilino-1-(3-nitrophenyl)-1-propanone
C15H14N2O3 (270.10043740000003)
5,6-dimethyl-N-(3-pyridinylmethyl)-4-thieno[2,3-d]pyrimidinamine
N-[(2-methoxyanilino)-oxomethyl]benzamide
C15H14N2O3 (270.10043740000003)
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
C16H15FN2O (270.11683519999997)
12-Imino-9-methyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile
N-[4-(dimethylamino)phenyl]-3-(5-methyl-2-furyl)acrylamide
N-(4-acetylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
C15H14N2O3 (270.10043740000003)
2-Amino-5,6-dimethoxy-1-spiro[cyclopentane-1,3-indene]carbonitrile
(2Z)-2-(3-aminoisoindol-1-ylidene)-2-cyano-N-(2-methoxyethyl)acetamide
4-acetyl-3,5-dimethyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
4-acetamido-N-(2-hydroxyphenyl)benzamide
C15H14N2O3 (270.10043740000003)
5-(4-Nitrophenyl)-3-phenyloxazolidine
C15H14N2O3 (270.10043740000003)
CHLOROPROCAINE
C13H19ClN2O2 (270.11349839999997)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Hypoglycine b
An L-glutamyl amino acid that is (2S,4S)-hypoglycin A in which the amino group has been acylated by the gamma-carboxy group of L-glutamic acid.
bacilysin zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of bacilysin; major species at pH 7.3.
Hypoglycin B
A diastereoisometic mixture containing (2S,4R)- and (2S,4S)-hypoglycin B. A metabolite of hypoglycin A found in unripe ackee fruit.
4-tert-Butylphenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(10s,11s)-10,11-Dihydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide
C15H14N2O3 (270.10043740000003)
Ciproxifan
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
(2S,4R)-hypoglycin B
A 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the gamma-carboxy group of L-glutamic acid.
(10R,11R)-dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
The (10R,11R)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion
Conjugate base of 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine where both carboxy groups are anionic and both the primary and secondary amino groups are protonated; major species at pH 7.3.
(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
The (10S,11S)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
(6r)-6-(4-oxo-6-phenylhex-2-en-1-yl)-5,6-dihydropyran-2-one
(3e,6z)-5-hydroxy-1-methyl-3-(2-methylpropylidene)-6-(phenylmethylidene)pyrazin-2-one
(2e)-4-[2-hydroxy-3-(propan-2-ylidene)indol-6-yl]-2-methylbut-2-enimidic acid
{2-methoxy-6,6-dimethylbenzo[c]chromen-9-yl}methanol
(2s)-2-amino-4-{[(1s)-1-carboxy-2-[(1s)-2-methylidenecyclopropyl]ethyl]-c-hydroxycarbonimidoyl}butanoic acid
3-{7-methoxy-9h-pyrido[3,4-b]indol-1-yl}propanoic acid
C15H14N2O3 (270.10043740000003)
(6s)-6-[(1z)-hepta-1,6-dien-1-yl]-1-[(2s)-oxiran-2-yl]octa-2,4-diyne-1,7-dione
1,4-dimethoxy-2-[(1e)-2-(4-methoxyphenyl)ethenyl]benzene
(3r,4s,5s,6s,7r,8r)-1,3,4,5,6,7,8,9-octahydroxynonan-2-one
(2r,3r,4r,5s,6r)-2-(benzyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,5r,6r)-2-(benzyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2,5-dihydroxy-3-isoprenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
{"Ingredient_id": "HBIN004619","Ingredient_name": "2,5-dihydroxy-3-isoprenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde","Alias": "NA","Ingredient_formula": "C17H18O3","Ingredient_Smile": "CC(=CCC1=CC(=C(C(=C1O)C=O)C#CC(=C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5926","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,6-dimethoxy-3-[(E)-3-phenylprop-2-enyl]phenol
{"Ingredient_id": "HBIN004890","Ingredient_name": "2,6-dimethoxy-3-[(E)-3-phenylprop-2-enyl]phenol","Alias": "NA","Ingredient_formula": "C17H18O3","Ingredient_Smile": "NA","Ingredient_weight": "270.32","OB_score": "8.840279578","CAS_id": "69471-12-1","SymMap_id": "SMIT05132","TCMID_id": "NA","TCMSP_id": "MOL002986","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-β-carboline-1-propionicacid
C15H14N2O3 (270.10043740000003)
{"Ingredient_id": "HBIN013339","Ingredient_name": "7-methoxy-\u03b2-carboline-1-propionicacid","Alias": "NA","Ingredient_formula": "C15H14N2O3","Ingredient_Smile": "COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13864","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol
{"Ingredient_id": "HBIN013937","Ingredient_name": "9,10-dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol","Alias": "NA","Ingredient_formula": "C17H18O3","Ingredient_Smile": "NA","Ingredient_weight": "270.32","OB_score": "NA","CAS_id": "169134-58-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7304","PubChem_id": "NA","DrugBank_id": "NA"}
benzyl alcoholo-β-d-glucopyranoside
{"Ingredient_id": "HBIN017848","Ingredient_name": "benzyl alcoholo-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H18O6","Ingredient_Smile": "C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14451","TCMID_id": "2276","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzyl-D-glucopyranoside
{"Ingredient_id": "HBIN017864","Ingredient_name": "benzyl-D-glucopyranoside","Alias": "benzyl- D- glucopyrano- side","Ingredient_formula": "C13H18O6","Ingredient_Smile": "C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "270.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39161;39657","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "126968958","DrugBank_id": "NA"}
6-[(2e)-3,5-dimethylhexa-2,4-dien-1-yl]-7-hydroxychromen-2-one
4-[(2s)-7-methoxy-8-methyl-3,4-dihydro-2h-1-benzopyran-2-yl]phenol
2,5-dimethoxy-4-[(2z)-3-phenylprop-2-en-1-yl]phenol
3-{6-methoxy-9h-pyrido[3,4-b]indol-1-yl}propanoic acid
C15H14N2O3 (270.10043740000003)
1-hydroxy-2-methoxy-6,9-dimethyl-2,3-dihydro-1h-phenanthren-4-one
5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2h-1-benzopyran-7-ol
2-isopropyl-5-(3-phenyloxiran-2-yl)benzene-1,3-diol
(6s)-6-(hepta-1,6-dien-1-yl)-1-[(2s)-oxiran-2-yl]octa-2,4-diyne-1,7-dione
(2s,4e)-5-hydroxy-4-(1-hydroxyethylidene)-2-(1h-indol-3-ylmethyl)-2h-pyrrol-3-one
C15H14N2O3 (270.10043740000003)
(3s)-3-amino-3-{[(1s)-1-carboxy-2-(3h-imidazol-4-yl)ethyl]-c-hydroxycarbonimidoyl}propanoic acid
(1r,5r)-5-hydroxy-4-methoxy-5-methyl-2,6-dioxocyclohex-3-en-1-yl (2r)-2-methylbutanoate
n-[(4-hydroxy-2-methoxyphenyl)imino]-2-phenylacetamide
C15H14N2O3 (270.10043740000003)
4-[5-(3,4-dihydroxybut-1-en-1-yl)pyrazin-2-yl]butane-1,2,3-triol
2-[(2-amino-1-hydroxypropylidene)amino]-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
2-[(2-amino-1-hydroxypropylidene)amino]-3-{5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl}propanoic acid
(2s)-2,3-dihydroxy-1-{4-methyl-9h-pyrido[3,4-b]indol-1-yl}propan-1-one
C15H14N2O3 (270.10043740000003)
(2s)-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2h-1-benzopyran-7-ol
(3s)-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2h-1-benzopyran-7-ol
2,5-dihydroxy-3-(3-methylbut-2-en-1-yl)-6-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde
4,5-dimethoxy-2-[(1r)-1-phenylprop-2-en-1-yl]phenol
(1r,2r)-1-hydroxy-2-methoxy-6,9-dimethyl-2,3-dihydro-1h-phenanthren-4-one
4-[(2r)-7-methoxy-8-methyl-3,4-dihydro-2h-1-benzopyran-2-yl]phenol
2,5-dimethoxy-4-[(1r)-1-phenylprop-2-en-1-yl]phenol
(4e)-5-(6-hydroxy-2,8-dimethylchromen-2-yl)-2-methylpenta-2,4-dienal
3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2h-1-benzopyran-7-ol
2,4-dimethoxy-5-[(1s)-1-phenylprop-2-en-1-yl]phenol
(2s)-2-aminopropanoyl (2s)-2-amino-3-[(1r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoate
(3r)-3-[(2s)-butan-2-yl]-1-hydroxy-4-methyl-3h-pyrrolo[3,4-b]quinolin-9-one
(2r,3s)-4-{5-[(1e,3s)-3,4-dihydroxybut-1-en-1-yl]pyrazin-2-yl}butane-1,2,3-triol
n-(4-methylbenzenesulfonyl)butane-1-carbamimidic acid
5-hydroxy-1-methyl-6-(2-methylpropylidene)-3-(phenylmethylidene)pyrazin-2-one
9-ethoxy-3,8-dimethylimidazo[4,3-a]isoquinoline-7,10-dione
C15H14N2O3 (270.10043740000003)
(5r,6r)-6-hydroxy-2,3-dimethoxy-6-(methoxymethyl)spiro[4.4]non-2-ene-1,7-dione
4-(hydroxymethyl)-6-methyl-8-methylidene-9h-pyrido[3,2-g]quinoline-2,10-diol
C15H14N2O3 (270.10043740000003)
1-[(1s)-1-hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.0⁴,¹³]trideca-2,4,6,8(13),9,11-hexaen-12-yl]propan-2-one
C15H14N2O3 (270.10043740000003)
(2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
9,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadeca-3,5,7-trien-2-one
(3z,6e)-5-hydroxy-1-methyl-6-(2-methylpropylidene)-3-(phenylmethylidene)pyrazin-2-one
2,3-dimethoxy-4-[(2e)-3-phenylprop-2-en-1-yl]phenol
(6r)-6-[(2e)-4-oxo-6-phenylhex-2-en-1-yl]-5,6-dihydropyran-2-one
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2s,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
methyl 1-[(1s)-1-hydroxyethyl]-9h-pyrido[3,4-b]indole-3-carboxylate
C15H14N2O3 (270.10043740000003)
2,4-dimethoxy-5-[(1r)-1-phenylprop-2-en-1-yl]phenol
(3e,6e)-5-hydroxy-1-methyl-6-(2-methylpropylidene)-3-(phenylmethylidene)pyrazin-2-one
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-4-hydroxybutan-1-one
(1r,2s,6r,7r,8r,9r,10r)-8,9-dihydroxy-7-methoxy-10-methyl-11-oxatricyclo[6.4.0.0²,⁶]dodecane-5,12-dione
1-hydroxy-2,8,8-trimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
1-hydroxytrideca-3,11-dien-5,7,9-triyn-2-yl 2-methylpropanoate
(2r,3as,5r)-2-(2-chloropropan-2-yl)-3a-hydroxy-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
C14H19ClO3 (270.10226539999996)
5,7-dimethoxy-2-phenyl-3,4-dihydro-2h-1-benzopyran
1,3-dimethoxy-5-[(1z)-2-(4-methoxyphenyl)ethenyl]benzene
3-hydroxy-2,8,8-trimethyl-6,7-dihydro-5h-phenanthrene-1,4-dione
(1s,9r,12s)-9,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadeca-3,5,7-trien-2-one
4-(7-methoxy-8-methyl-3,4-dihydro-2h-1-benzopyran-2-yl)phenol
2,4-dimethoxy-5-[(2e)-3-phenylprop-2-en-1-yl]phenol
(3r)-3-hydroxy-1-(4-hydroxyphenyl)-5-phenylpentan-1-one
(2e,4e)-5-[(2s)-6-hydroxy-2,8-dimethylchromen-2-yl]-2-methylpenta-2,4-dienal
(2r,3r,4s,5r,6r)-2-(benzyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2,3-dihydroxy-1-{4-methyl-9h-pyrido[3,4-b]indol-1-yl}propan-1-one
C15H14N2O3 (270.10043740000003)
5-ethyl-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,6,8,10,12-hexaen-2-one
C15H14N2O3 (270.10043740000003)
2-isopropyl-5-[(2r,3r)-3-phenyloxiran-2-yl]benzene-1,3-diol
3-hydroxy-2-[(4e)-5-phenylpent-4-enoyl]cyclohex-2-en-1-one
2-methoxy-3-(2-methylbut-3-en-2-yl)-6-phenylpyran-4-one
2-amino-4-{[1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(3e,11e)-1-hydroxytrideca-3,11-dien-5,7,9-triyn-2-yl 2-methylpropanoate
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
(2r,3e,11e)-1-hydroxytrideca-3,11-dien-5,7,9-triyn-2-yl 2-methylpropanoate
(3r,4s,5r,6s,7r,8r)-1,3,4,5,6,7,8,9-octahydroxynonan-2-one
9-methoxy-4-(methoxymethyl)-3,5-dimethylnaphtho[2,3-b]furan
4-(hydroxymethyl)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaen-4-ol
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(3h-imidazol-4-yl)propylidene]amino}butanedioic acid
methyl 3-{6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoate
C15H14N2O3 (270.10043740000003)
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
4-(hydroxymethyl)-1,8-dimethyl-9,10-dihydrophenanthrene-2,7-diol
(2z,4e)-5-(6-hydroxy-2,8-dimethylchromen-2-yl)-2-methylpenta-2,4-dienal
6-(3,5-dimethylhexa-2,4-dien-1-yl)-7-hydroxychromen-2-one
2,2,4-trimethyl-5-(3-phenylpropanoyl)cyclopent-4-ene-1,3-dione
1-hydroxy-4-methyl-3-(sec-butyl)-3h-pyrrolo[3,4-b]quinolin-6-one
3-hydroxy-1-(4-hydroxyphenyl)-5-phenylpentan-1-one
n-[(5s,7as)-5,7a-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl]benzamide
1-{1-hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.0⁴,¹³]trideca-2,4,6,8(13),9,11-hexaen-12-yl}propan-2-one
C15H14N2O3 (270.10043740000003)
2,6-dimethoxy-3-[(2e)-3-phenylprop-2-en-1-yl]phenol
6-(4-oxo-6-phenylhex-2-en-1-yl)-5,6-dihydropyran-2-one
(5s)-3-oxo-1h,2h,5h,6h,11h,11bh-indolo[3,2-g]indolizine-5-carboxylic acid
C15H14N2O3 (270.10043740000003)
(3r)-3-[(2s)-butan-2-yl]-1-hydroxy-4-methyl-3h-pyrrolo[3,4-b]quinolin-6-one
5-hydroxy-4-(1-hydroxyethylidene)-2-(1h-indol-3-ylmethyl)-2h-pyrrol-3-one
C15H14N2O3 (270.10043740000003)