Exact Mass: 270.1064876
Exact Mass Matches: 270.1064876
Found 500 metabolites which its exact mass value is equals to given mass value 270.1064876,
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.
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
1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
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.
7-Methoxy-beta-Carboline 1-propionic acid
C15H14N2O3 (270.10043740000003)
medazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3022
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
C15H14N2O3 (270.10043740000003)
2,3,7-trimethoxy-phenazine|2,3,7-Trimethoxyphenazin
C15H14N2O3 (270.10043740000003)
5-hydroxy-6-(1,1-dimethyl-2-propenyl)-2H-furo<2,3-h><1>benzopyran-2-one
3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
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.
(+-)5-Hydroxy-7-methoxy-flavanon|5-Hydroxy-7-methoxy-flavanon|5-hydroxy-7-methoxyflavanone
Pterolinus B
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a methoxy group at position 6, a methyl group at position 3 and a 4-hydroxyphenyl group at position 2. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity.
8-hydroxy-5-(1,1-dimethylallyl)psoralen|isodemethylfuropinarine
2-(4,5-dihydroxy-3-methoxy-2-methylphenyl)benzofuran|stemofuran U
(2R,3S,4S,5R,6S)-2-hydroxymethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol|arbutine|hydroquinone beta-D-glucopyranoside
2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Phenylhydrazide
9-Hydroxy-3,3,8-trimethyl-3H-naphtho[2,1-b]pyran-7,10-dione
COC1=CC=CC2=NC3=C(OC)C(OC)=CC=C3N=C21
C15H14N2O3 (270.10043740000003)
Imperatorin
Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM. Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM.
2-Hydroxy-3-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
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
8-Methoxy-2-isopropenylnaphtho[2,3-b]furan-4,9(2H,3H)-dione
1-Hydroxy-5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran
6-Hydroxy-7-methoxy-4-phenyl-chroman-2-on|6-hydroxy-7-methoxy-4-phenyl-chroman-2-one|dalbergin
2'-O-Methylisoliquiritigenin
2-O-Methylisoliquiritigenin (CAS: 51828-10-5), also known as 4,4-dihydroxy-2-methoxychalcone or 3-deoxysappanchalcone, belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Thus, 2-O-methylisoliquiritigenin is considered to be a flavonoid lipid molecule. 2-O-Methylisoliquiritigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-O-Methylisoliquiritigenin is a stress metabolite of Pisum sativum (pea). 2-O-methylisoliquiritigenin is a member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2 is replaced by a methoxy group. It has a role as a metabolite. It is a member of chalcones, a monomethoxybenzene and a member of phenols. It is functionally related to an isoliquiritigenin. 2-O-Methylisoliquiritigenin is a natural product found in Dracaena draco, Dracaena cinnabari, and other organisms with data available. A member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2 is replaced by a methoxy group. Stress metabolite of Pisum sativum (pea). 2-Methylisoliquiritigenin is found in pulses and common pea. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[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
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
(2R)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid
(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one
7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Alloimperatorin
Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2]. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2].
C16H14O4_1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-methoxyphenyl)-, (3R)
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
(3R)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
Isoimperatorin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Origin: Plant, Coumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
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
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based: Match]
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848051]
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000845053]
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848050]
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one [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
(3R)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one_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.
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)
[1,1-Biphenyl]-2,2-dicarboxylicacid, 2,2-dimethyl ester
[1,1-BIPHENYL] 3,5-DICARBOXYLIC ACID DEMETHYL ESTER
3-(4-FORMYL-PHENOXYMETHYL)-BENZOIC ACID METHYL ESTER
Benzenamine,N,N-dimethyl-4-[2-(3-nitrophenyl)diazenyl]-
2-AMINO-4-(4-ISOBUTYLPHENYL)-5-METHYLTHIOPHENE-3-CARBONITRILE
(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)
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,4S,5R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
4-(METHOXYCARBONYL)-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
[1,1-Biphenyl]-3,3-dicarboxylicacid, 3,3-dimethyl ester
2-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
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)
2-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YL)-1-(5-FLUORO-6-METHYLPYRIDIN-2-YL)ETHANONE
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)
4-(2-Iso-Propylamino Acetyl)Methane Sulfonanilide HCl
N-[2-AMINO-2-(3-CHLOROPHENYL)ETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
C13H19ClN2O2 (270.11349839999997)
1-(2-hydroxy-5-methoxyphenyl)-3-phenylpropane-1,3-dione
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)
TERT-BUTYL 2-(HYDROXYMETHYL)-6,7-DIHYDROTHIAZOLO[4,5-C]PYRIDINE-5(4H)-CARBOXYLATE
3-[(4-methylpiperazin-1-yl)methyl]benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
2-(naphthalene-1-carbonyl)-3-oxo-butyric acid methyl ester
(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate
2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carbonitrile
5-(TERT-BUTOXYCARBONYLAMINO-METHYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate
BENZOIC ACID, 2-[(4-FORMYLPHENOXY)METHYL]-, METHYL ESTER
5-[(butylamino)sulphonyl]-2-methoxybenzenediazonium
2-{METHYL[2-(TRIFLUOROMETHYL)QUINOLIN-4-YL]AMINO}ETHAN-1-OL
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)
(S)-Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(+/-)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin
(1-benzyltriazol-4-yl)methoxymethyl-trifluoroboranuide
2-(DIETHOXYMETHYL)-5,6-DIFLUORO-1-METHYL-1H-BENZO[D]IMIDAZOLE
5-(ISOPROPYLSULFONYL)-2-TETRAHYDRO-1H-PYRROL-1-YLPYRIMIDIN-4-AMINE
C11H18N4O2S (270.11504080000003)
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL METHYLAMINE CHLORIDE
2,2-Azobis(2-methylpropionamidine) dihydrochloride
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
2-nitro-n-(1-phenylethyl)benzamide
C15H14N2O3 (270.10043740000003)
(2R)-1-(2,4-Difluorophenyl)-2-(tetrahydro-2H-pyran-2-yloxy)-1-propanone
Benzo[1,3]dioxol-5-ylMethyl-piperidin-4-yl-aMine hydrochloride
C13H19ClN2O2 (270.11349839999997)
piperazineacetic acid benzyl este
C13H19ClN2O2 (270.11349839999997)
4-AMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
C13H19ClN2O2 (270.11349839999997)
1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
2-(4-Chloro-2-fluoro-5-methylphenyl)-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)
2-(CBZ-AMINOMETHYL)PYRROLIDINE HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
(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
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)
Ethyl 5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate
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
2-Hydroxy-7-methoxy-3-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
4H-Naphtho[1,2-b]pyran-4-one, 5,6-dimethoxy-2-methyl-
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 5,6-dihydro-1-oxo-, ethyl ester
C15H14N2O3 (270.10043740000003)
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-4-fluorobenzenolate
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.
cardamomin
(E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. (E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. Cardamonin can be found from cardamom, and target various signaling molecules, transcriptional factors, cytokines and enzymes. Cardamonin can inhibit mTOR, NF-κB, Akt, STAT3, Wnt/β-catenin and COX-2. Cardamonin shows anticancer, anti-inflammatory, antimicrobial and antidiabetic activities[1][2].
482-45-1
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
2-O-Methylisoliquiritigenin
2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1].
Prangenidin
Alloimperatorin is a member of psoralens. Alloimperatorin is a natural product found in Campylotropis hirtella, Saposhnikovia divaricata, and other organisms with data available. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2]. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2].
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)
(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
(2S)-4-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)-1,2-dihydropyrrol-5-one
C15H14N2O3 (270.10043740000003)
(S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone
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-acetylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
C15H14N2O3 (270.10043740000003)
(2Z)-2-(3-aminoisoindol-1-ylidene)-2-cyano-N-(2-methoxyethyl)acetamide
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.
(10s,11s)-10,11-Dihydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide
C15H14N2O3 (270.10043740000003)
(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.
(2S)-8-Methylpinocembrin
A dihydroxyflavanone that is pinocembrin substituted by a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus.
(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
The (10S,11S)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
7-hydroxy-8-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2r)-5-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione
1-(2,4-dihydroxy-5-methoxyphenyl)-3-phenylprop-2-en-1-one
2-[(2e)-1-hydroxy-3-phenylbut-2-en-1-ylidene]-4-methoxycyclopent-4-ene-1,3-dione
(3s)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
(2s)-2-amino-4-{[(1s)-1-carboxy-2-[(1s)-2-methylidenecyclopropyl]ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(2s)-7-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
3-{7-methoxy-9h-pyrido[3,4-b]indol-1-yl}propanoic acid
C15H14N2O3 (270.10043740000003)
(3s)-9-hydroxy-7-methoxy-3-methyl-3h-naphtho[1,2-b]oxepin-2-one
(2z)-2-[(2e)-1-hydroxy-3-phenylbut-2-en-1-ylidene]-4-methoxycyclopent-4-ene-1,3-dione
2-[(1e)-2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
5-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-2h-1,3-benzodioxole
(3r,4s,5s,6s,7r,8r)-1,3,4,5,6,7,8,9-octahydroxynonan-2-one
9-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}furo[3,2-g]chromen-7-one
2-[1-(4-hydroxyphenyl)prop-2-en-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
(2e)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
(2r,3r,4r,5s,6r)-2-(benzyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
7-hydroxy-3-methoxy-6-methyl-9,10-dihydrophenanthrene-1,4-dione
9-hydroxy-7-methoxy-3-methyl-3h-naphtho[1,2-b]oxepin-2-one
(4r)-6-hydroxy-7-methoxy-4-phenyl-3,4-dihydro-1-benzopyran-2-one
(2r,3r,5r,6r)-2-(benzyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2,4,2'-trihydroxy-5'-methylchalcone
{"Ingredient_id": "HBIN004202","Ingredient_name": "2,4,2'-trihydroxy-5'-methylchalcone ","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "CC1=CC(=C(C=C1)O)C(=O)C=CC2=C(C=C(C=C2)O)O","Ingredient_weight": "270.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21397","PubChem_id": "6474196","DrugBank_id": "NA"}
(2S)-7-hydroxy-6-methoxyflavanone
{"Ingredient_id": "HBIN006791","Ingredient_name": "(2S)-7-hydroxy-6-methoxyflavanone","Alias": "(2S)-7-hydroxy-6-methoxy-flavanone","Ingredient_formula": "C16H14O4","Ingredient_Smile": "COC1=C(C=C2C(=C1)C(=O)CC(O2)C3=CC=CC=C3)O","Ingredient_weight": "270.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35694;36651","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "25022738","DrugBank_id": "NA"}
7,3′,4′-trihydroxy-3-benzyl-2H-chromene
{"Ingredient_id": "HBIN012903","Ingredient_name": "7,3\u2032,4\u2032-trihydroxy-3-benzyl-2H-chromene","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "C1C(=CC2=C(O1)C=C(C=C2)O)CC3=CC(=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41150","TCMSP_id": "NA","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"}
alloimperalorin
{"Ingredient_id": "HBIN015223","Ingredient_name": "alloimperalorin","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33527","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
amoenumin
{"Ingredient_id": "HBIN015881","Ingredient_name": "amoenumin","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "NA","Ingredient_weight": "270.28","OB_score": "NA","CAS_id": "115531-76-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6834","PubChem_id": "NA","DrugBank_id": "NA"}
anhydroalkannin
{"Ingredient_id": "HBIN016150","Ingredient_name": "anhydroalkannin","Alias": "2-[(6Z)-2,9-dimethyldeca-2,6,8-trien-5-yl]-5,8-dihydroxynaphthalene-1,4-dione; AC1NSXHP","Ingredient_formula": "C16H14O4","Ingredient_Smile": "CC(=CC=CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C","Ingredient_weight": "270.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14311","TCMID_id": "1259","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101626182","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-101
{"Ingredient_id": "HBIN016331","Ingredient_name": "anticancer flavonoid pmv70p691-101","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1406","TCMSP_id": "NA","TCM_ID_id": "NA","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-methoxy-5-methyl-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-4,12-diol
9-ethenyl-9-methyl-2-phenyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
(3s)-7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1r,10r)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,14,15-triol
(3s)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2-benzopyran-1-one
1,8-dihydroxy-3-methoxy-6-methyl-10h-anthracen-9-one
3-{6-methoxy-9h-pyrido[3,4-b]indol-1-yl}propanoic acid
C15H14N2O3 (270.10043740000003)
4-methoxy-5-methyl-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6,12-diol
1,6-dihydroxy-8-methoxy-3-methyl-10h-anthracen-9-one
(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
14-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-6,12-diol
(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)
5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
(2e)-4-methoxy-2-[(2e)-1-methoxy-3-phenylprop-2-en-1-ylidene]cyclopent-4-ene-1,3-dione
methyl 2-[(1r)-1-(acetyloxy)hexa-2,4-diyn-1-yl]benzoate
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-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydro-1-benzopyran-4-one
5-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione
5-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-6,13-diol
2-hydroxy-4-methoxy-6-(2-phenylethenyl)benzoic acid
(3s)-3-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one
2-[(1s)-1-(4-hydroxyphenyl)prop-2-en-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
methyl 2-[1-(acetyloxy)hexa-2,4-diyn-1-yl]benzoate
6-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[1,2-b]furan-4,5-dione
(1s)-4,5-dihydroxy-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-14-one
(5s,9s)-9-ethenyl-9-methyl-2-phenyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
5-[(1z)-3-[3-(hepta-1,2-dien-4,6-diyn-1-yl)oxiran-2-yl]-3-hydroxyprop-1-en-1-yl]oxolan-2-one
6-hydroxy-7-methoxy-4-phenyl-3,4-dihydro-1-benzopyran-2-one
(2s)-2-aminopropanoyl (2s)-2-amino-3-[(1r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoate
(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
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
(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)
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
(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)
(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-amino-4-{[1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
(3r,4s,5r,6s,7r,8r)-1,3,4,5,6,7,8,9-octahydroxynonan-2-one
(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
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)
(5s)-3-oxo-1h,2h,5h,6h,11h,11bh-indolo[3,2-g]indolizine-5-carboxylic acid
C15H14N2O3 (270.10043740000003)
5-hydroxy-4-(1-hydroxyethylidene)-2-(1h-indol-3-ylmethyl)-2h-pyrrol-3-one
C15H14N2O3 (270.10043740000003)