Exact Mass: 284.1152302
Exact Mass Matches: 284.1152302
Found 500 metabolites which its exact mass value is equals to given mass value 284.1152302,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Coformycin
An N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N(3)-glycosidic bond. compound The parent of the class of coformycins. D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors
Batatasin I
Batatasin I is found in root vegetables. Batatasin I is a constituent of Dioscorea batatas (Chinese yam). Constituent of Dioscorea batatas (Chinese yam). Batatasin I is found in root vegetables.
Caffeic acid ester
Caffeic acid ester, also known as caffeic acid phenethyl ester or cape, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Caffeic acid ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Caffeic acid ester can be found in corn, flaxseed, oat, and peach, which makes caffeic acid ester a potential biomarker for the consumption of these food products. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor Caffeic acid phenethyl ester is a NF-κB inhibitor. Caffeic acid phenethyl ester is a NF-κB inhibitor.
2'-Hydroxy-4',6'-dimethoxychalcone
Flavokawain B is a member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2 and methoxy groups at positions 4 and 6. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. It has a role as a metabolite, an antileishmanial agent, an anti-inflammatory agent, an apoptosis inducer and an antineoplastic agent. It is a member of chalcones, a dimethoxybenzene and a member of phenols. It is functionally related to a trans-chalcone. Flavokawain b is a natural product found in Alpinia rafflesiana, Bistorta officinalis, and other organisms with data available. See also: Piper methysticum root (part of). A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2 and methoxy groups at positions 4 and 6. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. 2-Hydroxy-4,6-dimethoxychalcone is found in beverages. 2-Hydroxy-4,6-dimethoxychalcone is found in kava (Piper methysticum), FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum), FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Flavokawain B (Flavokavain B) is a chalcone isolated from the root extracts of kava-kava plant and a potent apoptosis inducer for inhibiting the growth of various cancer cell lines. Flavokawain B (Flavokavain B) shows strong antiangiogenic activity. Flavokawain B (Flavokavain B) inhibits human brain endothelial cell (HUVEC) migration and tube formation with very low and non-toxic concentrations[1][2]. Flavokawain B (Flavokavain B) is a chalcone isolated from the root extracts of kava-kava plant and a potent apoptosis inducer for inhibiting the growth of various cancer cell lines. Flavokawain B (Flavokavain B) shows strong antiangiogenic activity. Flavokawain B (Flavokavain B) inhibits human brain endothelial cell (HUVEC) migration and tube formation with very low and non-toxic concentrations[1][2].
1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
2-Phenylethyl beta-D-glucopyranoside
2-Phenylethyl alpha-D-glucopyranoside is found in alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is isolated from Riesling grapes. 2-Phenylethyl beta-D-glucopyranoside is a constituent of Rosa damascena bulgaria (damask rose) and Vitis vinifera (wine grape).
(S)-5,7-Dihydroxy-6,8-dimethylflavanone
(S)-5,7-Dihydroxy-6,8-dimethylflavanone is found in fruits. (S)-5,7-Dihydroxy-6,8-dimethylflavanone is isolated from Eugenia javanica (Java apple
Stercurensin
Stercurensin is isolated from Sterculia urens (karaya gum Isolated from Sterculia urens (karaya gum)
Gamma-Glutamylhistidine
gamma-Glutamylhistidine is a dipeptide composed of gamma-glutamate and histidine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylhistidine 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. γ-Glutamylhistidine is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
Histidylglutamic acid
Histidylglutamic acid is a dipeptide composed of histidine and glutamic 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.
Glutamylhistidine
Glutamylhistidine is a dipeptide composed of glutamate and histidine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylhistidine 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.
DL-Propylene glycol dibenzoate
DL-Propylene glycol dibenzoate is a flavouring ingredient. Flavouring ingredient
2',4'-Dihydroxy-6'-methoxy-3'-methylchalcone
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
Coformycin
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors
Isocoformycin
(2S,3R,4R,6R,7S,8R,9R)-1,2,3,4,6,7,8,9-Octahydroxydecan-5-one
Nicaraven
C15H16N4O2 (284.12731959999996)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D020011 - Protective Agents > D000975 - Antioxidants C93038 - Cation Channel Blocker
mollugin
Rubimaillin is a benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. It has a role as a plant metabolite, an acyl-CoA:cholesterol acyltransferase 2 inhibitor, a NF-kappaB inhibitor, an antineoplastic agent, an apoptosis inducer, a neuroprotective agent and an anti-inflammatory agent. It is a benzochromene, a methyl ester and a member of phenols. Mollugin is a natural product found in Rubia alata, Rubia argyi, and other organisms with data available. Mollugin is an orally active and potent NF-κB inhibitor. Mollugin induces S-phase arrest of HepG2 cells, and increased intracellular reactive oxygen species (ROS) levels. Mollugin induces DNA damage in HepG2 cells, as well as an increase in the expression of p-H2AX. Mollugin shows anti-cancer effect by inhibiting TNF-α-induced NF-κB activation. Mollugin enhances the osteogenic action of BMP-2 (bone morphogenetic protein 2) via the p38-Smad signaling pathway[1][2][3]. Mollugin is an orally active and potent NF-κB inhibitor. Mollugin induces S-phase arrest of HepG2 cells, and increased intracellular reactive oxygen species (ROS) levels. Mollugin induces DNA damage in HepG2 cells, as well as an increase in the expression of p-H2AX. Mollugin shows anti-cancer effect by inhibiting TNF-α-induced NF-κB activation. Mollugin enhances the osteogenic action of BMP-2 (bone morphogenetic protein 2) via the p38-Smad signaling pathway[1][2][3]. Mollugin is an orally active and potent NF-κB inhibitor. Mollugin induces S-phase arrest of HepG2 cells, and increased intracellular reactive oxygen species (ROS) levels. Mollugin induces DNA damage in HepG2 cells, as well as an increase in the expression of p-H2AX. Mollugin shows anti-cancer effect by inhibiting TNF-α-induced NF-κB activation. Mollugin enhances the osteogenic action of BMP-2 (bone morphogenetic protein 2) via the p38-Smad signaling pathway[1][2][3].
Caffeic_acid_phenethyl_ester
Phenethyl caffeate is an alkyl caffeate ester in which 2-phenylethyl is the alkyl component. It has a role as an antineoplastic agent, an anti-inflammatory agent, an immunomodulator, a metabolite, an antioxidant, a neuroprotective agent, an antiviral agent and an antibacterial agent. Caffeic acid phenethyl ester is a natural product found in Baccharis sarothroides, Populus deltoides, and other organisms with data available. Caffeic Acid Phenethyl Ester is the phenethyl alcohol ester of caffeic acid and a bioactive component of honeybee hive propolis, with antineoplastic, cytoprotective and immunomodulating activities. Upon administration, caffeic acid phenethyl ester (CAPE) inhibits the activation of nuclear transcription factor NF-kappa B and may suppress p70S6K and Akt-driven signaling pathways. In addition, CAPE inhibits PDGF-induced proliferation of vascular smooth muscle cells through the activation of p38 mitogen-activated protein kinase (MAPK) and hypoxia-inducible factor (HIF)-1alpha and subsequent induction of heme oxygenase-1 (HO-1). An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor Caffeic acid phenethyl ester is a NF-κB inhibitor. Caffeic acid phenethyl ester is a NF-κB inhibitor.
5,7-Dimethoxyflavanone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.183 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.179
Karalicin
A pentitol derivative that is 3-O-acetyl-1-deoxypentitol substituted by a 4-methoxyphenyl group at position 1. Isolated from the fermentation broth of Pseudomonas fluorescens and Pseudomonas putida, it exhibits anti-HSV-1 activity.
10alpha-Chloro-1beta-hydroxyeremophil-11(13)-en-12,8beta-olide
4-[5-Formyl-3-methyl-pent-2E,4E-dien-1-yl]-5-methylcoumarin
Flavokawin B
Flavokawain B (Flavokavain B) is a chalcone isolated from the root extracts of kava-kava plant and a potent apoptosis inducer for inhibiting the growth of various cancer cell lines. Flavokawain B (Flavokavain B) shows strong antiangiogenic activity. Flavokawain B (Flavokavain B) inhibits human brain endothelial cell (HUVEC) migration and tube formation with very low and non-toxic concentrations[1][2]. Flavokawain B (Flavokavain B) is a chalcone isolated from the root extracts of kava-kava plant and a potent apoptosis inducer for inhibiting the growth of various cancer cell lines. Flavokawain B (Flavokavain B) shows strong antiangiogenic activity. Flavokawain B (Flavokavain B) inhibits human brain endothelial cell (HUVEC) migration and tube formation with very low and non-toxic concentrations[1][2].
Articaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
2-Propen-1-one,1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-
Homopterocarpin
(6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran is a member of pterocarpans. Homopterocarpin is a natural product found in Cissus discolor, Ononis natrix, and other organisms with data available.
(Z)-N-[2-(2,4-Dimethoxyphenyl)ethenyl]-3-pyridinecarboxamide
8,8-dimethyl-5-hydroxy-2-(4-hydroxyphenyl)-4H,8H-benzo<1,2-b:3,4-b>pyran-4-one
((1S,2R)-2,3-Dihydroxy-1-hydroxymethyl-propyl)-beta-D-galactopyranosid|((1S,2R)-2,3-dihydroxy-1-hydroxymethyl-propyl)-beta-D-galactopyranoside|2-O-beta-D-Galactopyranosyl-D-erythritol|2-O-beta-D-galactopyranosylerythritol|4-O-beta-D-Galactopyranosyl-D-erythritol
(2,4-diacetoxy)-6-pentyl-5,6-dihydro-2-H-pyran-2-one
5-chloro-6-(4-dimethylamino-butylamino)-1,3-dihydro-imidazo[4,5-b]pyrazin-2-one
2-(2-hydroxy-4-methoxyphenyl)-3-methyl-6-methoxybenzofuran|2-(2-Hydroxy-4-methoxyphenyl)-5-methoxy-3-methylbenzofuran|2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-3-methylbenzofuran|5-methoxy-2-(6-methoxy-3-methyl-benzofuran-2-yl)-phenol
7-Chloro-2-ethyloctahydro-6-(2-penten-4-ynyl)pyrano[3,2-b]pyran-3-ol
methyl-(7R,8R)-4-hydroxy-8,9-dinor-4,7-epoxy-8,3-meolignan-7-ate|Methyl-(7R,8R)-4-hydroxy-8,9-dinor-4,7-epoxy-8,3-neolignan-7-ate
2-hydroxy-4,6-dimethoxychalcone|2-hydroxy-4,6-dimethoxy-chalcone|2-Hydroxy-4,6-dimethoxy-chalkon|flavokawin B
4,6-dimethoxy-3-methylnaphto[1,2-b]oxepin-2(3H)-one|aggregatin C
3-(Acetoxymethyl)-5-methyl-9-methoxynaphtho[2,3-b]furan
[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] acetate
1-Methyl-7-(hydroxymethyl)-9-methoxyphenanthrene-3,6-diol
3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
(1alpha,6alpha,10alpha)-1-Bromo-4(15)-eudesmen-6-ol
2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
(S)-1-(3-(hydroxymethyl)-4-methoxy-6-oxo-6H-pyran-2-yl)pentan-2-yl acetate|pyrenocine L
3-(5-hydroxy-2,4-dimethoxyphenyl)-3-phenylacrylaldehyde|dalsissooal
2-(p-hydroxyphenyl)ethyl p-coumarate|p-hydroxyphenyl ethyl p-coumarate
R-(-)-1-(4-hydroxyphenyl)-3-hydroxy-5-phenyl-1,5-pentandione
(+)-12,13-Diacetoxy-trideca-2,10-dien-4,6,8-triin|(+)-12,13-diacetoxy-trideca-2,10-diene-4,6,8-triyne|(+-)-12,13-Diacetoxy-trideca-2,10-dien-4,6,8-triin|(+-)-12,13-diacetoxy-trideca-2,10-diene-4,6,8-triyne|12,13-Diacetoxy-tridecadien-(2,10)-triin-(4,6,8)
(+)-desmethylinfectocaryone|desmethylinfectocaryone
3-(2,3-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
(3-hydroxy-5H-9-hydroxy-10-methoxybenzo[3,4]cyclohepta[1,2-f]inden-7-yl)methanol|burmanol
((3-methoxy-5H-9,10-dihydroxy-benzo[3,4]cyclohepta[1,2-f ])inden-7-yl)-methanol|subamol
1-(Hydroxymethyl)-7-methyl-9-methoxyphenanthrene-3,6-diol
Me ester-(5S,11bS)-2,3,5,6,11,11b-Hexahydro-3-oxo-1H-indolizino[8,7-b]indole-5-carboxylic acid
4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
2-(2,4-dihydroxyphenyl)-5-(3-hydroxypropyl)benzofuran
(3Z,11Z,7S*,9S*,10R*)-6-chloro-7:10-epoxypentadeca-3,11-dien-1-yne-9,13-diol
1,6,10-Trihydroxy-2,8,10-trimethyl-9(10H)-anthracenone
1-(2,4,5-Trimethoxyphenyl)-2-acetoxy-1-hydroxypropane|2,4,5,-Tri-Me ether-1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol
7-Methoxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Di-Ac-(E,E)-3,5-Tridecadiene-7,9,11-triyne-1,2-diol
5-(3-Methyl-2-butenyl)-6-methoxy-2H-furo[2,3-h][1]benzopyran-2-one
Clovoxamine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Batatasin I
Batatasin I is a phenanthrol. Batatasin I is a natural product found in Dioscorea cayenensis, Dioscorea bulbifera, and other organisms with data available. Batatasin I is found in root vegetables. Batatasin I is a constituent of Dioscorea batatas (Chinese yam). Constituent of Dioscorea batatas (Chinese yam). Batatasin I is found in root vegetables.
KBio2_005940
5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one is a member of flavonoids and an ether. 5,7-Dimethoxyflavanone is a natural product found in Boesenbergia rotunda with data available.
4-Hydroxy-2,4-dimethoxychalcone
(E)-3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is a natural product found in Dracaena draco with data available. 4'-Hydroxy-2,4-dimethoxychalcone is a natural chalcone derivatives in the red herbal resin of Dracaena cochinchinensis. 4'-Hydroxy-2,4-dimethoxychalcone displays a wide range of biological activities including antimalarial, antiprotozoal, antibacterial, antifungal activity[1][2].
4-methoxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
7-hydroxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
4-methoxy-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one
3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
C14H20O6_2-Phenylethyl beta-D-glucopyranoside
4-methoxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
4-methoxy-9-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one
5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based: Match]
5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848562]
9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847577]
9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based: Match]
PharmaGSID_47263
C15H16N4O2 (284.12731959999996)
CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3829; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3834; ORIGINAL_PRECURSOR_SCAN_NO 3832 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3814; ORIGINAL_PRECURSOR_SCAN_NO 3813 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3836; ORIGINAL_PRECURSOR_SCAN_NO 3834 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3845; ORIGINAL_PRECURSOR_SCAN_NO 3844 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3896; ORIGINAL_PRECURSOR_SCAN_NO 3895 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7864; ORIGINAL_PRECURSOR_SCAN_NO 7862 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7878; ORIGINAL_PRECURSOR_SCAN_NO 7876 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7899; ORIGINAL_PRECURSOR_SCAN_NO 7897 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7922; ORIGINAL_PRECURSOR_SCAN_NO 7920 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7936; ORIGINAL_PRECURSOR_SCAN_NO 7934 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7916; ORIGINAL_PRECURSOR_SCAN_NO 7914
3-OXO-3-(2-PHENOXYPHENYL)PROPIONIC ACID ETHYL ESTER
ETHYL 4-OXO-1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLATE
benzyl 3-(methylamino)piperidine-1-carboxylate hydrochloride
3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
C15H16N4O2 (284.12731959999996)
2-AMINO-5-DIETHYLCARBAMOYL-4-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
L-ASPARTIC ACID,1,4-BIS(1,1-DIMETHYLETHYL) ESTER, HYDROCHLORIDE (1:1)
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C13H15BF2O4 (284.10314040000003)
3-((2S,3S)-3-AMINO-1-(4-CHLOROPHENYL)BUTAN-2-YL)BENZONITRILE
2-Amino-2-deoxy-2-fluoro-D-adenosine
C10H13FN6O3 (284.10331199999996)
4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
METHYL 5-OXO-6-PHENYLAMINO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
(S)-Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
BENZYL METHYL(PIPERIDIN-4-YL)CARBAMATE HYDROCHLORIDE
2-(3,4,5-Trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Methohexital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
N-Methyl-N-[(2-Nitrophenyl)Methyl]Cyclohexanamine Hydrochloride
(4-((4-Methylpiperazin-1-yl)carbamoyl)phenyl)boronic acid hydrochloride
N-(2-chloro-6-(trimethylsilyl)pyridin-3-yl)pivalamide
Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride
5-(2-CHLORO-ACETYL)-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidic acid methyl ester
3-Methoxy-4-(4-methyl-piperidine-1-sulfonyl)-phenylamine
(Z)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoic acid
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
METHYL 2-OXO-2-(2-((O-TOLYLOXY)METHYL)PHENYL)ACETATE
Etozolin
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
8-((Benzo[d][1,3]dioxol-6-yl)methyl)-9H-purine-2,6-diamine
Benzyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride
N-[5-(Phenylamino)-2,4-pentadienylidene]aniline monohydrochloride
1,3-diethyl-8-phenyl-7H-purine-2,6-dione
C15H16N4O2 (284.12731959999996)
N-(2-CARBOXYETHYL)-N-[2-(2,5-DIHYDRO-2,5-DIOXO-1H-BETA-ALANINE
benzyl (2S)-2-ethylpiperazine-1-carboxylate,hydrochloride
(R)-Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride
(R)-Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
(S)-Benzyl 3-ethylpiperazine-1-carboxylate hydrochloride
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4h-pyran-3-carboxylate
(1-Benzo[1,3]dioxol-5-ylMethyl-piperidin-4-yl)-Methyl-aMine hydrochloride
2-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid
(3-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL)BORONIC ACID HYDROCHLORIDE
Benzyl (2S)-2-(aminomethyl)-1-piperidinecarboxylate hydrochloride (1:1)
(R)-BENZYL 3-(AMINOMETHYL)PIPERIDINE-1-CARBOXYLATE HYDROCHLORIDE
(S)-Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
(R)-Benzyl 3-ethylpiperazine-1-carboxylate hydrochloride
Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-
pabulenol
(r)-pabulenol is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one (r)-pabulenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (r)-pabulenol can be found in herbs and spices, which makes (r)-pabulenol a potential biomarker for the consumption of this food product.
2-(2-((2-HYDROXYETHYL)AMINO)ETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
Benzyl (piperidin-4-ylmethyl)carbamate hydrochloride
Benzyl (piperidin-3-ylmethyl)carbamate hydrochloride
4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
benzyl (2R)-2-ethylpiperazine-1-carboxylate,hydrochloride
(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
6,8-Difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
C17H14F2N2 (284.11249879999997)
Coniferyl benzoate
A benzoate ester obtained by the formal condensation of coniferol with benzoic acid.
N-Hydroxy-3-[1-methyl-4-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acrylamide
2-Phenylethyl beta-D-glucopyranoside
Isolated from Riesling grapes. Constituent of Rosa damascena bulgaria (damask rose variety) and Vitis vinifera (wine grape). 2-Phenylethyl beta-D-galactopyranoside is found in many foods, some of which are herbs and spices, green vegetables, fruits, and alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is found in alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is isolated from Riesling grapes. 2-Phenylethyl beta-D-glucopyranoside is a constituent of Rosa damascena bulgaria (damask rose) and Vitis vinifera (wine grape).
3,9-dimethoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene
2-(3-Hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol
1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
Morphiniumone(1+)
C17H18NO3+ (284.12866180000003)
The conjugate acid of morphinone arising from protonation of the tertiary amino group; major species at pH 7.3.
2-[(Z)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
(2S)-7-hydroxy-5-methoxy-8-methylflavanone
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 7, a methoxy group at position 5 and a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus.
3-(2,3-dimethyl-1H-indol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
N-(6-methoxy-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
(3aS,4S,9bR)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
C17H14F2N2 (284.11249879999997)
(3aR,4R,9bS)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
C17H14F2N2 (284.11249879999997)
N-(3-O-phospho-D-erythrulosyl)-cadaverine
C9H21N2O6P (284.11371760000003)
[3-(1-cyano-1H-isoquinolin-2-yl)-3-oxopropyl] propanoate
(4-{[(3,5-Dimethylisoxazol-4-yl)methyl]amino}quinazolin-2-yl)methanol
C15H16N4O2 (284.12731959999996)
4-fluoro-N-[5-(4-fluorophenyl)iminopenta-1,3-dienyl]aniline
C17H14F2N2 (284.11249879999997)
[(2R)-4-(5-aminopentylamino)-1-hydroxy-3-oxobutan-2-yl] dihydrogen phosphate
C9H21N2O6P (284.11371760000003)
2-[3-(4-Hydroxybenzoyl)phenyl]propionic acid methyl ester
Dibenzo(D,F)-1,1,3,3-tetramethyl-1,3-disila-2-oxacyclohepta-4,6-diene
C16H20OSi2 (284.10526300000004)
2-[3-(3-Hydroxybenzoyl)phenyl]propionic acid methyl ester
2,4-dihydroxy-3-methyl-6-methoxychalcone
A member of the class of chalcones that is trans-chalcone substituted by a methyl group at position 3, hydroxy groups at positions 2 and 4 and a methoxy group at position 6. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
gamma-Glutamylhistidine
γ-Glutamylhistidine is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
(2S)-5,7-dihydroxy-6,8-dimethylflavanone
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
Ethyl (3-methyl-4-oxo-5-piperidinothiazolidin-2-ylidene)acetate
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid
gamma-Glu-his
A glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of histidine.
rubimaillin
A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme.
5-LOX-IN-2
5-LOX-IN-2, an inhibitor of 5-lipoxygenase (5-LOX) with an IC50 of 0.33 μM, inhibits 5-LOX in a dose-dependent manner . 5-LOX-IN-2, reduces the cell viability of renal cancer cells and induces apoptosis, can be used for cancer research[1].
4-[(11s)-3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-11-ylmethyl]phenol
(2r,3s,5s)-5-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-2-[(1z)-3-hydroxypent-1-en-1-yl]oxolan-3-ol
5-hydroxy-2-(3-hydroxy-4-methylphenyl)-7-methyl-2,3-dihydro-1-benzopyran-4-one
(15s)-8,15-dimethoxy-6-methyl-10,14-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,4,6,8,11-hexaene
(1r,5r)-5-hydroxy-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl (2r)-2-methylbutanoate
(3ar,4ar,5s,8r,8ar,9ar)-8a-chloro-8-hydroxy-4a,5-dimethyl-3-methylidene-octahydronaphtho[2,3-b]furan-2-one
4-chloro-5-hydroxy-6,6,9a-trimethyl-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one
4-methoxy-6-(3-methylbut-2-en-1-yl)furo[3,2-g]chromen-7-one
4,5-dimethoxy-2-[(3e)-4-phenylbut-3-en-2-ylidene]cyclopent-4-ene-1,3-dione
(1s,10s)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene
4-[5-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dihydrofuran-2-yl]phenol
4-{3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-11-ylmethyl}phenol
6-methoxy-5-(3-methylbut-2-en-1-yl)furo[2,3-h]chromen-2-one
(2r,4r)-2,4-dimethyl-5-oxo-4-[(6e)-3-oxooct-6-en-1-yl]-1,3-dioxolane-2-carboxylic acid
1-(4,6-dihydroxy-2-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one
(6aS,11aS)-homopterocarpin
{"Ingredient_id": "HBIN012233","Ingredient_name": "(6aS,11aS)-homopterocarpin","Alias": "NA","Ingredient_formula": "C17H16O4","Ingredient_Smile": "COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41741","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-bromo-1-en-chamigrene
{"Ingredient_id": "HBIN013678","Ingredient_name": "8-bromo-1-en-chamigrene","Alias": "NA","Ingredient_formula": "C15H25Br","Ingredient_Smile": "CC1CCC(C(C12CCC(=CC2)C)(C)C)Br","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2623","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,4r,5r,6z,8r)-2-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-8-ethyl-3,4,5,8-tetrahydro-2h-oxocine-4,5-diol
(2r,3s,5s)-5-[(1r,3z)-1-chlorohex-3-en-5-yn-1-yl]-2-[(1z,3r)-3-hydroxypent-1-en-1-yl]oxolan-3-ol
(2r,3s,5s)-5-(1-chlorohex-3-en-5-yn-1-yl)-2-(3-hydroxypent-1-en-1-yl)oxolan-3-ol
2-(4-hydroxyphenyl)ethyl 3-(4-hydroxyphenyl)prop-2-enoate
2-(hydroxymethyl)-6-(2,3,4-trihydroxybutoxy)oxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-(3-hydroxy-2,5-dimethylphenoxy)-6-methyloxane-3,4,5-triol
(2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-[(2s,3r)-2,3,4-trihydroxybutoxy]oxane-3,4,5-triol
4-methoxy-9-(3-methylbut-2-en-1-yl)furo[3,2-g]chromen-7-one
1-(hydroxymethyl)-9-methoxy-7-methylphenanthrene-3,6-diol
4-[(2r,5s)-5-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dihydrofuran-2-yl]phenol
(2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(3e,6r,9e,11s,12r,14r)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
(2e)-2-benzyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
(2r,3e,11e)-1-(acetyloxy)trideca-3,11-dien-5,7,9-triyn-2-yl acetate
4,5-dimethoxy-2-(4-phenylbut-3-en-2-ylidene)cyclopent-4-ene-1,3-dione
1-[3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]pentan-2-yl acetate
3-acetyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1r)-1-phenylethoxy]oxane-3,4,5-triol
6,7-dihydroxy-4-methoxy-7-methyl-1,4,5,6-tetrahydrospiro[2-benzopyran-3,2'-oxolan]-8-one
(2e)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
2,4-bis(4-hydroxyphenyl)-3,6-dihydro-2h-pyran-3-ol
(3s,6s)-3-benzyl-6-(3h-imidazol-4-ylmethyl)-3,6-dihydropyrazine-2,5-diol
C15H16N4O2 (284.12731959999996)