Exact Mass: 284.1002032
Exact Mass Matches: 284.1002032
Found 500 metabolites which its exact mass value is equals to given mass value 284.1002032,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Psilocybine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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.
9-Hydroxybenzo[a]pyrene-4,5-oxide
9-Hydroxybenzo[a]pyrene-4,5-oxide is also known as 9-OH-BaP-4,5-oxide. 9-Hydroxybenzo[a]pyrene-4,5-oxide is considered to be practically insoluble (in water) and acidic
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
(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
p-Cresol glucuronide
p-Cresol glucuronide is a glucuronide derivative a p-Cresol that is typically excreted in the urine. P-Cresol (the precursor of p-cresol sulfate (PCS) and p-cresol glucuronide (PCG)) is mainly generated as an end product of tyrosine biotransformation by anaerobic intestinal bacteria. During passage through the colonic mucosa and liver, sulfatation and glucuronidation generates p-Cresol sulfate (as the most preponderant metabolite) and p-Cresol glucuronide (at markedly lower concentrations) (PMID: 23826225). Cresols are known as methylphenols. Cresols are used to dissolve other chemicals, such as disinfectants and deodorizers. They are also used to make specific chemicals that kill insect pests. Cresol solutions are used as household cleaners and disinfectants such as Lysol. Cresol solutions can also be found in photographic developers. In the past, cresol solutions have been used as antiseptics in surgery, but they have been largely displaced in this role by less toxic compounds. Cresols are found in many foods and in wood and tobacco smoke, crude oil, coal tar, and in brown mixtures such as creosote, cresolene and cresylic acids, which are wood preservatives. Microbes in the soil and water produce cresols when they break down materials in the environment. Most exposures to cresols are at very low levels that are not harmful. When cresols are breathed, ingested, or applied to the skin at very high levels, they can be very harmful. Effects observed in people include irritation and burning of skin, eyes, mouth, and throat; abdominal pain and vomiting. Cresols are also a chemical component found in Sharpie Markers. P-cresol is a major component in pig odor. p-Cresol glucuronide is a glucuronide derivative a p-Cresol that is typically excreted in the urine. Cresols are known as methylphenols. Cresols are used to dissolve other chemicals, such as disinfectants and deodorizers. They are also used to make specific chemicals that kill insect pests. Cresol solutions are used as household cleaners and disinfectants such as Lysol. Cresol solutions can also be found in photographic developers. In the past, cresol solutions have been used as antiseptics in surgery, but they have been largely displaced in this role by less toxic compounds. Cresols are found in many foods and in wood and tobacco smoke, crude oil, coal tar, and in brown mixtures such as creosote, cresolene and cresylic acids, which are wood preservatives. Microbes in soil and water produce cresols when they break down materials in the environment. Most exposures to cresols are at very low levels that are not harmful. When cresols are breathed, ingested, or applied to the skin at very high levels, they can be very harmful. Effects observed in people include irritation and burning of skin, eyes, mouth, and throat; abdominal pain and vomiting. Cresols are also a chemical component found in Sharpie Markers. P-cresol is a major component in pig odor. [HMDB]
Stercurensin
Stercurensin is isolated from Sterculia urens (karaya gum Isolated from Sterculia urens (karaya gum)
2-O-Benzoyl-D-glucose
2-O-Benzoyl-D-glucose is found in fruits. 2-O-Benzoyl-D-glucose is a constituent of Vaccinium vitis-idaea (cowberry) and Vaccinium macrocarpon (cranberry) Constituent of Vaccinium vitis-idaea (cowberry) and Vaccinium macrocarpon (cranberry). 2-O-Benzoyl-D-glucose is found in fruits.
D-Vacciniin
D-Vacciniin is found in fruits. D-Vacciniin is isolated from Vaccinium sp. (red whortleberries and cranberries). Isolated from Vaccinium species (red whortleberries and cranberries). D-Vacciniin is found in fruits.
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
arabinofuranosylguanine
C10H14N5O5 (284.09948940000004)
arabinofuranosylguanine is a metabolite of nelarabine. Nelarabine is a chemotherapy drug used in T-cell acute lymphoblastic leukemia. It was previously known as 506U78. Nelarabine is a purine nucleoside analog converted to its corresponding arabinosylguanine nucleotide triphosphate (araGTP), resulting in inhibition of DNA synthesis and cytotoxicity. Pre-clinical studies suggest that T-cells are particularly sensitive to nelarabine. (Wikipedia)
2',4'-Dihydroxy-6'-methoxy-3'-methylchalcone
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
4'-Azidocytidine
Benzo[a]pyrene diol
6-Methoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole
Coformycin
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
Isocoformycin
(2S,3R,4R,6R,7S,8R,9R)-1,2,3,4,6,7,8,9-Octahydroxydecan-5-one
p-Tolyl-ss-D-glucuronide
Benzamide, 4-chloro-N-(2-(4-morpholinyl)ethyl)-, N-oxide
C13H17ClN2O3 (284.09276420000003)
2-Amino-9-(6-aminopurin-9-yl)-1H-purin-6-one
C10H8N10O (284.08825179999997)
6-O-Benzoyl-alpha-D-glucose
6-o-benzoyl-alpha-d-glucose is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. 6-o-benzoyl-alpha-d-glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 6-o-benzoyl-alpha-d-glucose can be found in american cranberry, which makes 6-o-benzoyl-alpha-d-glucose a potential biomarker for the consumption of this food product.
2,4-Diamino-5,6-dihydroxypyrimidine
2,4-diamino-5,6-dihydroxypyrimidine is a member of the class of compounds known as hydroxypyrimidines. Hydroxypyrimidines are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 2,4-diamino-5,6-dihydroxypyrimidine can be found in broad bean, which makes 2,4-diamino-5,6-dihydroxypyrimidine a potential biomarker for the consumption of this food product.
Vacciniin
Vacciniin, also known as 6-O-benzoyl-D-glucopyranoside, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Vacciniin is soluble (in water) and a very weakly acidic compound (based on its pKa). Vacciniin can be found in american cranberry, which makes vacciniin a potential biomarker for the consumption of this food product.
Helicid
Helicid is a glycoside. Helicide is a natural product found in Citrullus colocynthis, Helicia nilagirica, and Canella winterana with data available. Helicid (Helicide) is a major constituent of Helicia nilgirica Bedd. Helicid has been used to treat psychoneurosis for its analgesic properties[1]. Helicid (Helicide) is a major constituent of Helicia nilgirica Bedd. Helicid has been used to treat psychoneurosis for its analgesic properties[1].
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
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
Helicid (Helicide) is a major constituent of Helicia nilgirica Bedd. Helicid has been used to treat psychoneurosis for its analgesic properties[1]. Helicid (Helicide) is a major constituent of Helicia nilgirica Bedd. Helicid has been used to treat psychoneurosis for its analgesic properties[1].
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].
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
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
5alpha-(6,7-dihydroxyethyl)-4-(5-hydroxymethylfuran-2-ylmethylene)-2alpha-methoxydihydrofuran-3-one
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
2,4-Dihydroxy-6-methylbenzoic acid (3-hydroxy-3-carboxybutan-2-yl) ester
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
4-ethoxy-2,3-dihydroxy-2-(4-hydroxybenzyl)-4-oxobutanoic acid|ethyl 2-(4-hydroxybenzyl)tartrate|Piscidinsaeure-monoethylester
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
methyl 2,4,6-trihydroxy-3-(2-hydroxyperoxy-3-methyl-3-butenyl)benzoate
4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
2-(2,4-dihydroxyphenyl)-5-(3-hydroxypropyl)benzofuran
1,6,10-Trihydroxy-2,8,10-trimethyl-9(10H)-anthracenone
2,4-Dihydroxy-6-methylbenzoic acid 3,4-dihydroxy-2-oxopentyl ester
7-Methoxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Tri-Me ether,di-Me ester-3,4,6-Trihydroxy-1,2-benzenedicarboxylic acid
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
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.
Helicin
Helicin is a beta-D-glucoside resultng from the oxidation of the benzylic hydroxy group of salicin to the corresponding aldehyde. It has a role as a metabolite. It is a member of benzaldehydes, a beta-D-glucoside and a monosaccharide derivative. It is functionally related to a salicylaldehyde and a salicin. Helicin is a natural product found in Crepis foetida with data available. A beta-D-glucoside resultng from the oxidation of the benzylic hydroxy group of salicin to the corresponding aldehyde. Helicin, found in Rosaceae, is a moderate syrB inducer. Helicon can be hydrolyzed by BglY enzyme[1][2].
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
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]
3-OXO-3-(2-PHENOXYPHENYL)PROPIONIC ACID ETHYL ESTER
ETHYL 4-OXO-1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLATE
2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazinane-4-carboxylic acid
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
4-(6-METHOXYBENZO[D]THIAZOL-2-YL)-N,N-DIMETHYLANILINE
5-HYDROXY-DL-TRYPTOPHAN ETHYL ESTER HYDROCHLORIDE
C13H17ClN2O3 (284.09276420000003)
RO-9187
RO-9187 is a potent inhibitor of HCV virus replication with an IC50 of 171 nM. RO-9187 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
2-(3,4,5-Trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Methohexital
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(4-((4-Methylpiperazin-1-yl)carbamoyl)phenyl)boronic acid hydrochloride
N-(2-chloro-6-(trimethylsilyl)pyridin-3-yl)pivalamide
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid
1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidic acid methyl ester
(Z)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoic acid
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
METHYL 2-OXO-2-(2-((O-TOLYLOXY)METHYL)PHENYL)ACETATE
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride
C13H17ClN2O3 (284.09276420000003)
8-((Benzo[d][1,3]dioxol-6-yl)methyl)-9H-purine-2,6-diamine
R-1479
R-1479 (4'-Azidocytidine), a nucleoside analogue, is a specific inhibitor of RNA-dependent RNA polymerase (RdRp) of HCV. R-1479 inhibits HCV replication in the HCV subgenomic replicon system (IC50=1.28 μM)[1][2][3]. R-1479 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
N-[5-(Phenylamino)-2,4-pentadienylidene]aniline monohydrochloride
tert-butyl 8-chloro-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
C13H17ClN2O3 (284.09276420000003)
N-(2-CARBOXYETHYL)-N-[2-(2,5-DIHYDRO-2,5-DIOXO-1H-BETA-ALANINE
(R)-4-[4-[(3-Chloro-2-hydroxypropyl)amino]phenyl]morpholin-3-one
C13H17ClN2O3 (284.09276420000003)
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4h-pyran-3-carboxylate
(6E)-6-[(3,4-dimethylphenyl)methylidene]-3-methyl-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
6-[(3,4-dimethylphenyl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-Methanone hydrochloride
C13H17ClN2O3 (284.09276420000003)
Benzo[1,3]dioxole-5-carboxylic acid (pyrrolidin-2-ylMethyl)-aMide hydrochloride
C13H17ClN2O3 (284.09276420000003)
Benzo[1,3]dioxole-5-carboxylic acid piperidin-3-ylaMide hydrochloride
C13H17ClN2O3 (284.09276420000003)
2-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid
(3-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL)BORONIC ACID HYDROCHLORIDE
4-(4-amino-3-methylphenyl)-2-methylaniline,dihydrochloride
Benzyl 3-amino-4-oxopiperidine-1-carboxylate hydrochloride
C13H17ClN2O3 (284.09276420000003)
METHYL (2S,4S)-4-AMINO-1-N-BENZOYLPYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDE
C13H17ClN2O3 (284.09276420000003)
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.
3-Chloro-4-hydroxy-5-methoxyphenylboronicacid, pinacol ester
2-(2-((2-HYDROXYETHYL)AMINO)ETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
Indorenate Hydrochloride
C13H17ClN2O3 (284.09276420000003)
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Benzamide, 4-chloro-N-(2-(4-morpholinyl)ethyl)-, N-oxide
C13H17ClN2O3 (284.09276420000003)
9,10-Dihydro-9,10[1,2]-benzenoanthracene-1,4-dione
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-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
N-[(3-methoxyphenyl)methyl]-4H-3,1-benzothiazin-2-amine
N-Hydroxy-3-[1-methyl-4-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acrylamide
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
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
4-amino-1-[(2R,3R,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
globosumone C
A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3S,4S)-1,3,4-trihydroxypentan-2-one. It has been isolated from Chaetomium globosum.
(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.
N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide
3-(2,3-dimethyl-1H-indol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
5,6-dimethyl-N-[(5-nitro-2-furyl)methylene]-1H-benzimidazol-1-amine
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-fluoro-N-[5-(4-fluorophenyl)iminopenta-1,3-dienyl]aniline
C17H14F2N2 (284.11249879999997)
2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole
[(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
Psilocybine
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p-tolyl beta-D-glucuronide
A glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen is replaced by a p-tolyl group.
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.
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.
Psilocybin
A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional phosphoryloxy substituent at position 4. The major hallucinogenic alkaloid isolated from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms").
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
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
9-hydroxy-16-imino-15-oxa-3,10,17-triazatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),4,9,11,13-pentaen-2-one
2,3-dihydroxypropyl 3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate
3,13-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene-20-carbaldehyde
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
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"}