Exact Mass: 300.0818
Exact Mass Matches: 300.0818
Found 500 metabolites which its exact mass value is equals to given mass value 300.0818,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Farrerol
Farrerol is an organic molecular entity. It has a role as a metabolite. (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone is a natural product found in Rhododendron spinuliferum, Wikstroemia canescens, and other organisms with data available. Farrerol is a bioactive constituent of Rhododendron, with broad activities such as anti-oxidative, anti-inflammatory, anti-tumor, neuroprotective and hepatoprotective effects[1][2][3][4][5][6]. Farrerol is a bioactive constituent of Rhododendron, with broad activities such as anti-oxidative, anti-inflammatory, anti-tumor, neuroprotective and hepatoprotective effects[1][2][3][4][5][6].
Phellopterin
Phellopterin is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Phellopterin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Phellopterin can be found in lemon, lime, and wild celery, which makes phellopterin a potential biomarker for the consumption of these food products. Phellopterin is a non-carcinogenic (not listed by IARC) potentially toxic compound. The furocoumarin 8-methoxypsoralen is carcinogenic to humans, and possibly 5-methoxypsoralen as well (L135). There is some evidence from mouse studies that other furocoumarins are carcinogenic when combined with exposure to UVA radiation (A15105). The SKLM regards the additional risk of skin cancer arising from the consumption of typical quantities of furocoumarin-containing foods, which remain significantly below the range of phototoxic doses, as insignificant. However, the consumption of phototoxic quantities cannot be ruled out for certain foods, particularly celery and parsnips, that may lead to significant increases in furocoumarin concentrations, depending on the storage, processing and production conditions (L2157) Furocoumarin photochemotherapy is known to induce a number of side-effects including erythema, edema, hyperpigmentation, and premature aging of skin. All photobiological effects of furocoumarins result from their photochemical reactions. Because many dietary or water soluble furocoumarins are strong inhibitors of cytochrome P450s, they will also cause adverse drug reactions when taken with other drugs. It activates adrenaline-induced lipolysis and activate ACTH-induced lipolysis (L579) (T3DB). Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1]. Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1]. Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1].
Temazepam
Temazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine that acts as a gamma-aminobutyric acid modulator and anti-anxiety agent. [PubChem]Benzodiazepines bind nonspecifically to benzodiazepine receptors, which affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 4-phosphate
beta-D-3-Ribofuranosyluric acid
beta-D-3-Ribofuranosyluric acid is found in animal foods. beta-D-3-Ribofuranosyluric acid is isolated from beef bloo Isolated from beef blood. beta-D-3-Ribofuranosyluric acid is found in animal foods.
Homopisatin
Isolated from leaves or cotyledons of Lens culinaris (lentil) and Trifolium pratense (red clover). Homopisatin is found in many foods, some of which are lentils, herbs and spices, tea, and pulses. Homopisatin is found in herbs and spices. Homopisatin is isolated from leaves or cotyledons of Lens culinaris (lentil) and Trifolium pratense (red clover).
N1-Amidinostreptamine 6-phosphate
3-(4-Chlorobenzyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
Methylnissolin
Methylnissolin is a member of pterocarpans. Methylnissolin is a natural product found in Lathyrus nissolia and Dalbergia odorifera with data available. Methylnissolin is found in alfalfa. Methylnissolin is isolated from Medicago sativa (alfalfa). Isolated from Medicago sativa (alfalfa). Methylnissolin is found in alfalfa and pulses. Methylnissolin (Astrapterocarpan), isolated from Astragalus membranaceus, inhibits platelet-derived growth factor (PDGF)-BB-induced cell proliferation with an IC50 of 10 μM. Methylnissolin inhibits PDGF-BB-induced phosphorylation of extracellular signal-regulated kinase 1/2 (ERIC1/2) mitogen-activated protein (MAP) kinase. Methylnissolin inhibits PDGF-BB-induced vascular smooth muscle cell proliferation by inhibition of the ERK1/2 MAP kinase cascade[1]. Methylnissolin (Astrapterocarpan), isolated from Astragalus membranaceus, inhibits platelet-derived growth factor (PDGF)-BB-induced cell proliferation with an IC50 of 10 μM. Methylnissolin inhibits PDGF-BB-induced phosphorylation of extracellular signal-regulated kinase 1/2 (ERIC1/2) mitogen-activated protein (MAP) kinase. Methylnissolin inhibits PDGF-BB-induced vascular smooth muscle cell proliferation by inhibition of the ERK1/2 MAP kinase cascade[1]. Methylnissolin (Astrapterocarpan), isolated from Astragalus membranaceus, inhibits platelet-derived growth factor (PDGF)-BB-induced cell proliferation with an IC50 of 10 μM. Methylnissolin inhibits PDGF-BB-induced phosphorylation of extracellular signal-regulated kinase 1/2 (ERIC1/2) mitogen-activated protein (MAP) kinase. Methylnissolin inhibits PDGF-BB-induced vascular smooth muscle cell proliferation by inhibition of the ERK1/2 MAP kinase cascade[1].
Flavokawain C
2,4-Dihydroxy-4,6-dimethoxychalcone is found in beverages. 2,4-Dihydroxy-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 Flavokawain C is a member of chalcones. 2,4-Dihydroxy-4,6-dimethoxychalcone is a natural product found in Argyrochosma dealbata, Piper methysticum, and other organisms with data available. Flavokawain C is a natural chalcone found in Kava root. Flavokawain C exerts cytotoxicity against human cancer cell lines, with an IC50 of 12.75 μM for HCT 116 cells[1]. Flavokawain C is a natural chalcone found in Kava root. Flavokawain C exerts cytotoxicity against human cancer cell lines, with an IC50 of 12.75 μM for HCT 116 cells[1].
Phelloterin
Phellopterin is a member of psoralens. Phellopterin is a natural product found in Amyris pinnata, Heracleum candolleanum, and other organisms with data available. A naturally occurring furanocoumarin found in roots of Angelica dahurica and in Seseli elatum (L579). Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1]. Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1]. Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1].
Sulfaquinoxaline
Sulfaquinoxaline is an antimicrobial and a coccidiostat for veterinary use. It is a potential food contaminant in animal products arising from its veterinary use. Antimicrobial, coccidiostat for vet. use. Potential food contaminant in animal products arising from its veterinary use. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Clobazam
Clobazam is only found in individuals that have used or taken this drug. It is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. [Wikipedia]Clobazam binds at a distinct binding site associated with a Cl- ionopore at the GABA-A receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is prolonged as a result. 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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Sativanone
Sativanone is found in alfalfa. Sativanone is isolated from Medicago sativa (alfalfa) leaves innoculated with the fungus Helminthosporium cabonum. Isolated from Medicago sativa (alfalfa) leaves innoculated with the fungus Helminthosporium cabonum. Sativanone is found in alfalfa and pulses.
8-Hydroxy-3,9-dimethoxypterocarpan
8-Hydroxy-3,9-dimethoxypterocarpan is found in green vegetables. 8-Hydroxy-3,9-dimethoxypterocarpan is from Pterocarpus soyauxii. From Pterocarpus soyauxii. 8-Hydroxy-3,9-dimethoxypterocarpan is found in green vegetables.
Salicylic acid beta-D-glucoside
Constituent of various plant subspecies e.g. white mustard seed (Sinapis alba), bell pepper (Capsicum annuum) and leaves of thyme, rosemary, basil and sweet marjoram. Salicylic acid glucoside is found in many foods, some of which are herbs and spices, yellow bell pepper, orange bell pepper, and red bell pepper. Salicylic acid beta-D-glucoside is found in herbs and spices. Salicylic acid beta-D-glucoside is a constituent of various plant species e.g. white mustard seed (Sinapis alba), bell pepper (Capsicum annuum) and leaves of thyme, rosemary, basil and sweet marjoram. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxybenzoate
3-Hydroxy-2,9-dimethoxypterocarpan
3-Hydroxy-2,9-dimethoxypterocarpan is found in common pea. 3-Hydroxy-2,9-dimethoxypterocarpan is isolated from root crowns of Pisum sativum (pea). Isolated from root crowns of Pisum sativum (pea). 3-Hydroxy-2,9-dimethoxypterocarpan is found in green vegetables and common pea.
4,4'-Dihydroxy-2',6'-dimethoxychalcone
4,4-Dihydroxy-2,6-dimethoxychalcone is found in alcoholic beverages. 4,4-Dihydroxy-2,6-dimethoxychalcone is isolated from Humulus lupulus (hops). Isolated from Humulus lupulus (hops). 4,4-Dihydroxy-2,6-dimethoxychalcone is found in alcoholic beverages.
(2E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
2-Propen-1-one, 1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (E)-; (2E)-1-(2,6-Dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-2-propen-1-one
Heliannone A
Heliannone A is found in fats and oils. Heliannone A is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Heliannone A is found in sunflower and fats and oils.
5,7-Dihydroxy-4'-methoxy-8-methylisoflavanone
5,7-Dihydroxy-4-methoxy-8-methylisoflavanone is found in cereals and cereal products. 5,7-Dihydroxy-4-methoxy-8-methylisoflavanone is a constituent of the flowers of Amaranthus caudatus (love-lies-bleeding). Constituent of the flowers of Amaranthus caudatus (love-lies-bleeding). 5,7-Dihydroxy-4-methoxy-8-methylisoflavanone is found in cereals and cereal products and green vegetables.
5,7-Dihydroxy-4'-methoxy-8-methylflavanone
5,7-Dihydroxy-4-methoxy-8-methylflavanone is found in cereals and cereal products. 5,7-Dihydroxy-4-methoxy-8-methylflavanone is a constituent of the flowers of Amaranthus caudatus (love-lies-bleeding). Constituent of the flowers of Amaranthus caudatus (love-lies-bleeding). 5,7-Dihydroxy-4-methoxy-8-methylflavanone is found in cereals and cereal products and green vegetables.
Dimethyl fukiic acid
Dimethyl fukiic acid is found in green vegetables. Dimethyl fukiic acid is isolated from Petasites japonicus (sweet coltsfoot
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
3-Hydroxy-4,9-dimethoxypterocarpan
3-Hydroxy-4,9-dimethoxypterocarpan is found in green vegetables. 3-Hydroxy-4,9-dimethoxypterocarpan is a constituent of Trifolium repens (white clover).
Heliannone B
Heliannone B is found in fats and oils. Heliannone B is a constituent of Helianthus annuus (sunflower)
Carboxytolbutamide
Carboxytolbutamide belongs to the family of Sulfanylbenzoic Acid Derivatives. These are benzoic acid derivatives which bear a sulfanyl group (R-SH) attached to the benzene ring.
4-Methylcatechol 1-glucuronide
4-Methylcatechol 2-glucuronide
N-(3-Methyl-2-pyridyl)-3-(4-chlorophenyl)succinimide
Tinctormine
Tinctormine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Tinctormine can be found in safflower, which makes tinctormine a potential biomarker for the consumption of this food product.
Oryzanin
Oryzenin, also known as thiamin or vitamin b1, is a member of the class of compounds known as thiamines. Thiamines are compounds containing a thiamine moiety, which is structurally characterized by a 3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl backbone. Oryzenin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Oryzenin can be found in rice, which makes oryzenin a potential biomarker for the consumption of this food product. A - Alimentary tract and metabolism > A11 - Vitamins > A11D - Vitamin b1, plain and in combination with vitamin b6 and b12 > A11DA - Vitamin b1, plain D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thiamine monochloride (Vitamin B1) is an essential vitamin that plays an important role in cellular production of energy from ingested food and enhances normal neuronal actives. Thiamine monochloride (Vitamin B1) is an essential vitamin that plays an important role in cellular production of energy from ingested food and enhances normal neuronal actives.
4-Hydroxybenzoyl glucose
4-hydroxybenzoyl glucose, also known as 1-O-P-hydroxybenzoyl-β-D-glucose, is a member of the class of compounds known as hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. 4-hydroxybenzoyl glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxybenzoyl glucose can be found in common thyme, which makes 4-hydroxybenzoyl glucose a potential biomarker for the consumption of this food product.
4-Hydroxybenzoic acid glucoside
4-hydroxybenzoic acid glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 4-hydroxybenzoic acid glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). 4-hydroxybenzoic acid glucoside can be found in a number of food items such as highbush blueberry, jostaberry, caraway, and carrot, which makes 4-hydroxybenzoic acid glucoside a potential biomarker for the consumption of these food products.
Farrerol
Farrerol is an organic molecular entity. It has a role as a metabolite. (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone is a natural product found in Rhododendron spinuliferum, Wikstroemia canescens, and other organisms with data available. Farrerol is a natural product found in Daphne aurantiaca, Rhododendron farrerae, and Rhododendron dauricum with data available. Farrerol is a bioactive constituent of Rhododendron, with broad activities such as anti-oxidative, anti-inflammatory, anti-tumor, neuroprotective and hepatoprotective effects[1][2][3][4][5][6]. Farrerol is a bioactive constituent of Rhododendron, with broad activities such as anti-oxidative, anti-inflammatory, anti-tumor, neuroprotective and hepatoprotective effects[1][2][3][4][5][6].
4,7-i--ethylnaringenin
(2S)-5-hydroxy-4,7-dimethoxyflavanone is a 5-hydroxy-4,7-dimethoxyflavanone that has (S)-configuration. It is a 5-hydroxy-4,7-dimethoxyflavanone and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. (S)-5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)chroman-4-one is a natural product found in Sarcandra hainanensis, Vitex quinata, and other organisms with data available. 4',?7-?Di-?O-?methylnaringenin is a flavonoid found in Renealmia alpinia[1]. 4',?7-?Di-?O-?methylnaringenin is a flavonoid found in Renealmia alpinia[1].
Naringenin 7,4-dimethyl ether
4',?7-?Di-?O-?methylnaringenin is a flavonoid found in Renealmia alpinia[1]. 4',?7-?Di-?O-?methylnaringenin is a flavonoid found in Renealmia alpinia[1].
2,4-Dihydroxy-3,6-dimethoxychalcone
2,4-Dihydroxy-3,6-dimethoxychalcone is a natural product found in Bistorta officinalis, Persicaria amphibia, and other organisms with data available.
Odoriflavene
Odoriflavene is a natural product found in Dalbergia odorifera with data available.
5-methoxy-7-phenyl-3H-benzo[de]isochromen-1,6-dione
Methylliderone
Melilotocarpan A
Methylnissolin
Methylnissolin (Astrapterocarpan), isolated from Astragalus membranaceus, inhibits platelet-derived growth factor (PDGF)-BB-induced cell proliferation with an IC50 of 10 μM. Methylnissolin inhibits PDGF-BB-induced phosphorylation of extracellular signal-regulated kinase 1/2 (ERIC1/2) mitogen-activated protein (MAP) kinase. Methylnissolin inhibits PDGF-BB-induced vascular smooth muscle cell proliferation by inhibition of the ERK1/2 MAP kinase cascade[1]. Methylnissolin (Astrapterocarpan), isolated from Astragalus membranaceus, inhibits platelet-derived growth factor (PDGF)-BB-induced cell proliferation with an IC50 of 10 μM. Methylnissolin inhibits PDGF-BB-induced phosphorylation of extracellular signal-regulated kinase 1/2 (ERIC1/2) mitogen-activated protein (MAP) kinase. Methylnissolin inhibits PDGF-BB-induced vascular smooth muscle cell proliferation by inhibition of the ERK1/2 MAP kinase cascade[1]. Methylnissolin (Astrapterocarpan), isolated from Astragalus membranaceus, inhibits platelet-derived growth factor (PDGF)-BB-induced cell proliferation with an IC50 of 10 μM. Methylnissolin inhibits PDGF-BB-induced phosphorylation of extracellular signal-regulated kinase 1/2 (ERIC1/2) mitogen-activated protein (MAP) kinase. Methylnissolin inhibits PDGF-BB-induced vascular smooth muscle cell proliferation by inhibition of the ERK1/2 MAP kinase cascade[1].
(E)-1-(3,4-dihydroxy-2,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
(Z)-3-(7-hydroxy-5-methoxyphenyl)-2-(6-hydroxy-4-methoxyphenyl)acrylaldehyde|erythraddison B
Me ester,7-Me ether-3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid|methyl 7-O-methylnorascomatate
1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2-propene-1-one|kukulkanin A
1-[2-(Hydroxymethyl)-2-propenyl]-3-methoxydibenzofuran-2,7-diol
10-Me ether-8-Methyltoralactone|8-methyltoralactone 10-methylether
2,4,7-Tri-Me ether-2,3,4,6,7-Pentahydroxyphenanthrene|3,6-Dihydroxy-2,4,7-trimethoxyphenanthren
3-beta-D-ribofuranosyl-7,9-dihydro-3H-purine-2,6,8-trione|Harnsaeure-(3)-ribosid
6-methoxy-5-(4-hydroxy-3-methyl-but-2-enyl)-angelicin|6-methoxy-5-(4-hydroxy-3-methylbut-2-enyl)angelicin
4-[2-(3,3-Dimethyloxiranyl)ethoxy]-7H-furo[3,2-g][1]benzopyran-7-one
Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-
6-Hydroxy-5,4-dimethoxy-flavanon|6-hydroxy-5-methoxy-2-(4-methoxy-phenyl)-chroman-4-one
(E)-4,5-dimethoxy-2-(1-methoxy-3-phenylallylidene)cyclopent-4-ene-1,3-dione|4,5-dimethoxy-[(E)-2-(1-methoxy-3-phenyl-2-propen-1-ylidene)]-4-cyclopentene-1,3-dione|methyl linderone|Methyl-linderon|Methyllinderone
5,10-dihydroxy-8-methoxy-2-propyl-4H-naphtho<1,2-b>pyran-4-one|5,10-dihydroxy-8-methoxy-2-propyl-4H-naphtho[1,2-b]pyran-4-one
3,4-Dihydro-4-(4-methoxyphenyl)-5-hydroxy-7-methoxycoumarin
2R*,4R*-8-hydroxyethyl-7,4-dihydroxy-4,2-epoxyflavane
(6aR,11aR)-9-hydroxy-1,3-dimethoxypterocarpan|erythbidin D
(2S)-2,3-dihydro-2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one|(2S)-3-hydroxy-5,7-dimethoxyflavanone
Pterolinus A
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 3-hydroxy-4-methoxyphenyl group at position 3 and a methyl group at position 2. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity.
1-(2,4-dihydroxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
1-(2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
2-Propen-1-one, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenyl-,(E)-
2,6-Dimethoxy-3-(3-oxo-3-phenylpropyl)-1,4-benzoquinone
rel-(1aR,2R,3R,7bS)-1a,2,3,7b-tetrahydro-2,3-dihydroxy-5-(2-phenylethyl)-7H-oxireno[f][1]benzopyran-7-one
3-(3,4-Dihydroxyphenyl)-6-methoxy-8-hydroxy-3,4-dihydronaphthalene-1(2H)-one
(2S)-3,4-methylenedioxy-5-methoxy-7-hydroxyflavan|eriocaulin A
6-p-hydroxybenzoyl-D-glucose|O6-(4-Hydroxy-benzoyl)-D-glucose|p-hydroxybenzoic acid glucose ester
5,7-Dihydroxy-2-(4-methoxy-phenyl)-6-methyl-chroman-4-on|5,7-dihydroxy-2-(4-methoxy-phenyl)-6-methyl-chroman-4-one|5,7-dihydroxy-6-methyl-4-methoxydihydroflavone
5-Acetoxy-2,8,8-trimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
7-Me,4,5-methylene ether-2,4,5,7-Tetrahydroxyflavan|7-methoxy-2-hydroxy-4,5-methylenedioxyflavan
7-hydroxy-5,6-dimethoxy-2-phenyl-chroman-4-one|7-hydroxy-5,6-dimethoxyflavanone
(2R,4S)-2,4-dihydroxy-2H-furan-(3,4:8,7)-flavan-4-ol
(-)-7,8-dihydro-3,6-dihydroxy-1,7,7,8-tetramethyl-5h-furo-[2,3:5,6]naphtho[1,8-bc]furan-5-one
8-(1,1-Diemthylallyloxy)bergapten|8-(1,1-Dimethylallyloxy)-bergapten|8-(1,1-dimethylallyloxy)bergapten|9-(1,1-dimethyl-allyloxy)-4-methoxy-furo[3,2-g]chromen-7-one|9-[(2-methylbut-3-en-2-yl)oxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one
4-(3,3-dimethyl-oxiranylmethyl)-9-methoxy-furo[3,2-g]chromen-7-one
3,7-dimethoxy-1,9-dimethyldibenzofuran-2-carboxylic acid|ascomatic acid|Di-Me ether-3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid
Phellopterin
Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1]. Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1]. Phellopterin is a natural product isolated from Angelica dahurica. Phellopterin reduces TNF-alpha-induced VCAM-1 expression through regulation of the Akt and PKC pathway, which contributes to inhibit the adhesion of monocytes to endothelium[1].
(+-)-5-Hydroxy-4-7-dimethoxy-flavanon|5-Hydroxy-7,4-dimethoxyisoflavanon|5-hydroxy-7-methoxy-3-(4-methoxy-phenyl)-chroman-4-one
1,7-Bis(hydroxymethyl)-9-methoxyphenanthrene-3,6-diol
ACon1_000808
LPRP-Et-97543
NCI60_041532
5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxychroman-4-one is a natural product found in Ledebouria leptophylla with data available.
p-hydroxybenzoyl glucose
1-O-(4-hydroxybenzoyl)-beta-D-glucopyranose is an O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 4-hydroxybenzoyl group. It has a role as a plant metabolite. It is a beta-D-glucoside, an O-acyl carbohydrate, a benzoate ester and a monosaccharide derivative. 4-Hydroxybenzoyl glucose is a natural product found in Moricandia arvensis, Rhodiola chrysanthemifolia, and other organisms with data available. An O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 4-hydroxybenzoyl group.
temazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent CONFIDENCE standard compound; INTERNAL_ID 1557 CONFIDENCE standard compound; INTERNAL_ID 8605
Clobazam
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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3593 CONFIDENCE standard compound; INTERNAL_ID 1598
Methyl-3-[(2-nitrobenzoyl)amino]benzoate
[Raw Data] CB134_Methyl 3-[(2-nitrobenzoyl)amino]benzoate_neg_20eV_000029.txt [Raw Data] CB134_Methyl 3-[(2-nitrobenzoyl)amino]benzoate_neg_10eV_000029.txt [Raw Data] CB134_Methyl-3-[(2-nitrobenzoyl)amino]benzoate_pos_50eV_CB000047.txt [Raw Data] CB134_Methyl-3-[(2-nitrobenzoyl)amino]benzoate_pos_40eV_CB000047.txt [Raw Data] CB134_Methyl-3-[(2-nitrobenzoyl)amino]benzoate_pos_30eV_CB000047.txt [Raw Data] CB134_Methyl-3-[(2-nitrobenzoyl)amino]benzoate_pos_20eV_CB000047.txt [Raw Data] CB134_Methyl-3-[(2-nitrobenzoyl)amino]benzoate_pos_10eV_CB000047.txt
4-Hydroxy-5,7-dimethoxyflavanone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.021 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.022 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.018
7,4-Dimethoxy-5-hydroxyflavanone
4',?7-?Di-?O-?methylnaringenin is a flavonoid found in Renealmia alpinia[1]. 4',?7-?Di-?O-?methylnaringenin is a flavonoid found in Renealmia alpinia[1].
3,9-dihydroxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one
5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
(E)-1-(3,4-dihydroxy-2,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
5,7,9-trimethoxy-2-methylbenzo[h]chromen-4-one
4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
C17H16O5_(3R)-3-(3,4-Dimethoxyphenyl)-8-hydroxy-3,4-dihydro-1H-isochromen-1-one
(3R)-3-(3,4-dimethoxyphenyl)-8-hydroxy-3,4-dihydroisochromen-1-one
sulfaquinoxaline
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3548; ORIGINAL_PRECURSOR_SCAN_NO 3544 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3503; ORIGINAL_PRECURSOR_SCAN_NO 3499 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3555; ORIGINAL_PRECURSOR_SCAN_NO 3554 INTERNAL_ID 412; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3555; ORIGINAL_PRECURSOR_SCAN_NO 3554 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3538; ORIGINAL_PRECURSOR_SCAN_NO 3536 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3575; ORIGINAL_PRECURSOR_SCAN_NO 3573 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3512; ORIGINAL_PRECURSOR_SCAN_NO 3508 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7297; ORIGINAL_PRECURSOR_SCAN_NO 7295 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7320; ORIGINAL_PRECURSOR_SCAN_NO 7318 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7347; ORIGINAL_PRECURSOR_SCAN_NO 7344 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7347; ORIGINAL_PRECURSOR_SCAN_NO 7345 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7334; ORIGINAL_PRECURSOR_SCAN_NO 7332 CONFIDENCE standard compound; INTERNAL_ID 412; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7362; ORIGINAL_PRECURSOR_SCAN_NO 7359
Homopisatin
Salicylic acid glucoside
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5,7-Dihydroxy-4'-methoxy-8-methylisoflavanone
2-Amino-3-benzoyl-.alpha.-(methylthio)benzeneacetamide
Benzaldehyde,4-methyl-, 2-(2,4-dinitrophenyl)hydrazone
2-(2-CARBOXYMETHYL-PHENOXY)-3,4-DIMETHYL-BENZOIC ACID
N-(3-Cyano-4,5,6,7-Tetrahydro-1-Benzothien-2-Yl)-2-Fluorobenzamide
(2R,4R)-1-BENZYL-4-AMINO-PYRROLIDINE-2,4-DICARBOXYLIC ACID HCL
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
ETHYL 6-((TERT-BUTOXYCARBONYL)AMINO)-4-CHLOROPICOLINATE
2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
1,2,3,4-TETRAHYDRO-6-METHYL-4-(4-TRIFLUOROMETHYLPHENYL)-2-OXO-5-PYRIMIDINECARBOX
Methyl 4-oxo-1-[3-(trifluoromethyl)phenyl]cyclohexanecarboxylate
2-[(4-METHYL-5-QUINOLIN-6-YL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID
PNU 282987
PNU-282987 is a potent α7 nicotinic acetylcholine receptor (nAChR) agonist with an EC50 of 154 nM. PNU-282987 is also a functional antagonist of the 5-HT3 receptor with an IC50 of 4541 nM. PNU-282987 can be used for the research of central and peripheral nervous systems[1].
2-[(3-methyl-4-nitropyridin-2-yl)methylsulfanyl]-1H-benzimidazole
sodium gualenate
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
Sulfamethazine sodium
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
3-Amino-6-(4-methylpiperazin-1-yl)pyridine triHydrochloride
3-((TERT-BUTOXYCARBONYL)AMINO)-3-(6-CHLOROPYRIDIN-3-YL)PROPANOIC ACID
(4-fluorophenyl)-[4-(2-phenylethynyl)phenyl]methanone
4-carbamoyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid
1-(2,4-Difluorophenyl)cyclopropylamine Hydrochloride
2,6-diamino-4-(4-hydroxy-3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Methyl-2-deoxy-2-(trifluoromethyl)-alpha-D-arabinofuranoside diacetate
1,1-(Methylenedi-4,1-phenylene)bishydrazine Dihydrochloride
METHYL-2-DEOXY-2-(TRIFLUOROMETHYL)-A-D-RIBOFURANOSIDE-DIACETATE
(R,R)-1,2-BIS(METHANESULFONYLOXYMETHYL)CYCLOHEXANE
1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-4-[2-(TRIFLUOROMETHYL)PHENYL]-5-PYRIMIDINECARB
ETHYL 2-[(6-CHLORO-5-FLUOROPYRIDIN-3-YL)CARBONYL]-3-(ETHYLAMINO)ACRYLATE
2-(4-FLUORO-PHENYL)-5-HYDROXY-BENZOFURAN-3-CARBOXYLIC ACID ETHYL ESTER
Ethyl 2-(1,3-benzoxazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidine carboxylate
Salicylic acid beta-D-glucoside
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-, (2S)-
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-2-pyrimidinamine
3-(3-Methoxy-4-phenylmethoxyphenyl)-2-oxopropanoic acid
2,6-Diamino-(S)-9-[2-(phosphonomethoxy)propyl]purine
Vitamin B1
A - Alimentary tract and metabolism > A11 - Vitamins > A11D - Vitamin b1, plain and in combination with vitamin b6 and b12 > A11DA - Vitamin b1, plain D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thiamine monochloride (Vitamin B1) is an essential vitamin that plays an important role in cellular production of energy from ingested food and enhances normal neuronal actives. Thiamine monochloride (Vitamin B1) is an essential vitamin that plays an important role in cellular production of energy from ingested food and enhances normal neuronal actives.
CHEBI:16741
2-(3-Methoxy-4-methoxyphenyl)-5-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one
S-3-hydroxy-4,4-dimethoxydalbergione
A natural product found in Pterocarpus santalinus.
(1S,2R,3S,4S,5R,6S)-4-azaniumyl-2-{[azaniumyl(imino)methyl]amino}-3,5,6-trihydroxycyclohexyl phosphate
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate
2-acetamido-3-[(Z)-(5-carbamoyl-1H-imidazol-4-yl)diazenyl]sulfanylpropanoic acid
9-(3,5-Difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea
N-{[(3-methyl-4-nitrophenyl)carbonyl]oxy}pyridine-4-carboximidamide
5-methyl-4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2-phenyl-4H-pyrazol-3-one
Methyl 4-[2-(3-methoxyphenyl)-2-oxoethoxy]benzoate
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-methylphenyl)thiourea
2-[(4-Fluorophenyl)methylthio]-5-(2-methylphenyl)-1,3,4-oxadiazole
2-[(2-Fluorophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole
N-(6-butyl-1,3-benzothiazol-2-yl)-2-furancarboxamide
N-{[2-(2-nitrophenyl)acetyl]oxy}-3-pyridinecarboximidamide
4-methyl-N-{[(phenylsulfanyl)acetyl]oxy}benzenecarboximidamide
3-(2-Fluorobenzyl)-5-[(5-methyl-2-furyl)methylene]-2,4-imidazolidinedione
(2S,3S)-3,5,7-trihydroxy-6,8-dimethylflavanone
A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 3, 5 and 7 and methyl groups at positions 6 and 8 (the 2S,3S-stereoisomer). It has been isolated from the buds of Cleistocalyx operculatus and has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
3,5-Dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole
1-(4-Methoxyphenyl)-2-(5-thiophen-2-yl-2-tetrazolyl)ethanone
N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester
8-hydroxy-7-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
2-chloro-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
1-Carbamoyl-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium
N2-(5-Chloro-2-methoxyphenyl)quinazoline-2,4-diamine
[(E)-5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-enyl] hydrogen sulate
3,9-Dihydroxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one
4-(beta-D-glucosyloxy)benzoic acid
A beta-D-glucoside of 4-hydroxybenzoic acid.
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxybenzoate
2-(beta-D-Glucopyranosyloxy)benzoic acid
A 2-(D-glucosyloxy)benzoic acid with beta configuration at the anomeric centre.
beta-D-glucosyl salicylate
A D-glucosyl salicylate in which the glucosyl moiety has beta-configuration at the anomeric centre. A transferrin binding compound used in research for cancer therapy.
(2S)-5-hydroxy-4,7-dimethoxyflavanone
A 5-hydroxy-4,7-dimethoxyflavanone that has (S)-configuration.
(2S)-2-hydroxydemethoxymatteucinol
A trihydroxyflavanone that is demethoxymatteucinol with an additional hydroxy group at position 2. Isolated from Pisonia aculeata, it exhibits antitubercular activity.
D-glucosyl salicylate
A benzoate ester resulting from the formal condensation of the carboxy group of salicylic acid with the anomeric hydroxy group of D-glucose.
5-hydroxy-4,7-dimethoxyflavanone
A dimethoxyflavanone that is naringenin in which the hydroxy groups at positions 4 and 7 are replaced by methoxy groups.
5,7-dimethoxy-3-(4-methoxyphenyl)-3h-2-benzofuran-1-one
5-[(1r)-1-(4-hydroxyphenyl)prop-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
6,7-dimethoxy-5-methyl-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaene-4,12-diol
(2r,3r)-3-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
5,11-dimethoxy-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid
(3r)-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-3,4-dihydro-2h-1-benzopyran-7-ol
3-hydroxy-1-methoxy-3-(methoxymethyl)-2h-anthracene-9,10-dione
3-(3,4-dimethoxyphenyl)-8-hydroxy-3,4-dihydro-2-benzopyran-1-one
(3s)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methoxy-2,3-dihydro-1-benzopyran-4-one
methyl 5-hydroxy-11-methoxy-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylate
(2r,3r)-3,5,7-trihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(1r,8r,9s)-8,9-dichloro-2,2,9-trimethyltricyclo[6.3.1.0¹,⁶]dodec-5-ene-4,7-dione
(2r)-7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2r)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-methyl-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-5,6-dimethoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
7,13-dimethoxy-14-methyl-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaene-4,15-diol
5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaen-6-ol
6-hydroxy-2-[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-5-methoxy-6-methylcyclohex-4-ene-1,3-dione
4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-9-methoxyfuro[3,2-g]chromen-7-one
2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
(2r)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(3r)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(1s,10s)-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaen-5-ol
(1r,10r)-13,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol
(2e)-2,3-bis(4-hydroxy-3-methoxyphenyl)prop-2-enal
(1s,9s)-11,13-dimethoxy-8,16-dioxatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10,12,14-hexaen-6-ol
5,10-dihydroxy-8-methoxy-2-propylbenzo[h]chromen-4-one
(2s)-6-hydroxy-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
1,5,7-trimethoxy-2,6-phenanthrenediol
{"Ingredient_id": "HBIN001594","Ingredient_name": "1,5,7-trimethoxy-2,6-phenanthrenediol","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "NA","Ingredient_weight": "300.31","OB_score": "NA","CAS_id": "118169-17-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9516","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-(4-hydroxybenzoyl)-β-d-glucose
{"Ingredient_id": "HBIN002838","Ingredient_name": "1-o-(4-hydroxybenzoyl)-\u03b2-d-glucose","Alias": "NA","Ingredient_formula": "C13H16O8","Ingredient_Smile": "C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9823","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-epoxy-3-prenyl-1,4-naphthoquinone-2-carboxylic acid; me ester
{"Ingredient_id": "HBIN004087","Ingredient_name": "2,3-epoxy-3-prenyl-1,4-naphthoquinone-2-carboxylic acid; me ester","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "NA","Ingredient_weight": "300.31","OB_score": "NA","CAS_id": "133361-29-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8927","PubChem_id": "NA","DrugBank_id": "NA"}
2,5-dihydroxy-6-methyl-7-methoxyflavanone
{"Ingredient_id": "HBIN004629","Ingredient_name": "2,5-dihydroxy-6-methyl-7-methoxyflavanone","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "CC1=C(C=C2C(=C1O)C(=O)CC(O2)(C3=CC=CC=C3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6035","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,5-dihydroxy-8-methyl-7-methoxyflavanone
{"Ingredient_id": "HBIN004630","Ingredient_name": "2,5-dihydroxy-8-methyl-7-methoxyflavanone","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "CC1=C(C=C2C(=C1O)C(=O)CC(O2)(C3=CC=CC=C3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6036","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2′,6 ′-dimethoxy-4,4 ′-dihydroxychalcone
{"Ingredient_id": "HBIN004895","Ingredient_name": "2\u2032,6 \u2032-dimethoxy-4,4 \u2032-dihydroxychalcone","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=CC(=CC(=C1C(=O)C=CC2=CC=C(C=C2)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6216","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-carboxymethyl-3-phenyl-2,3-epoxy-1,4-naph-thoquinone
{"Ingredient_id": "HBIN005447","Ingredient_name": "2-carboxymethyl-3-phenyl-2,3-epoxy-1,4-naph-thoquinone","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "CC(=CCC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C(=O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3181","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Carboxymethyl-3-prenyl-2,3-epoxy-1,4-naphthoquinone
{"Ingredient_id": "HBIN005448","Ingredient_name": "2-Carboxymethyl-3-prenyl-2,3-epoxy-1,4-naphthoquinone","Alias": "2-carboxymethyl-3-prenyl-2,3-epoxy-1,4-naphthoquinone","Ingredient_formula": "C17H16O5","Ingredient_Smile": "Not Available","Ingredient_weight": "300.33","OB_score": "20.67711771","CAS_id": "NA","SymMap_id": "SMIT00892","TCMID_id": "30741","TCMSP_id": "MOL002890;MOL006154","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-hydroxy-3',5'-diimethoxyflavanone
{"Ingredient_id": "HBIN005739","Ingredient_name": "2'-hydroxy-3',5'-diimethoxyflavanone","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10012","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(4-hydroxy-3-methoxyphenyl)-2-oxopropylbenzoate
{"Ingredient_id": "HBIN007477","Ingredient_name": "3-(4-hydroxy-3-methoxyphenyl)-2-oxopropylbenzoate","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=C(C=CC(=C1)CC(=O)COC(=O)C2=CC=CC=C2)O","Ingredient_weight": "300.3 g/mol","OB_score": "9.435784203","CAS_id": "NA","SymMap_id": "SMIT12984","TCMID_id": "NA","TCMSP_id": "MOL012191","TCM_ID_id": "NA","PubChem_id": "91460481","DrugBank_id": "NA"}
3-hydroxymollugin
{"Ingredient_id": "HBIN008727","Ingredient_name": "3-hydroxymollugin","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "NA","Ingredient_weight": "300.31","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8077","PubChem_id": "NA","DrugBank_id": "NA"}
(3R)-sativanone
{"Ingredient_id": "HBIN009587","Ingredient_name": "(3R)-sativanone","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC","Ingredient_weight": "300.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36760","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5321142","DrugBank_id": "NA"}
4,9-dihydroxy-7h-furo[3,2-g][1]benzopyran-7-one,9ci; 9-o-(1,1-dimethyl-2-propenyl),4-me ether
{"Ingredient_id": "HBIN010153","Ingredient_name": "4,9-dihydroxy-7h-furo[3,2-g][1]benzopyran-7-one,9ci; 9-o-(1,1-dimethyl-2-propenyl),4-me ether","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "NA","Ingredient_weight": "300.31","OB_score": "NA","CAS_id": "57419-90-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7873","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-4',7-dimethoxydihydroflavone
{"Ingredient_id": "HBIN011611","Ingredient_name": "5-hydroxy-4',7-dimethoxydihydroflavone","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10019","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6aR,11aR)-4-methoxymedicarpin
{"Ingredient_id": "HBIN012226","Ingredient_name": "(6aR,11aR)-4-methoxymedicarpin","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4OC)O","Ingredient_weight": "300.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41738","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14077266","DrugBank_id": "NA"}
7,4'-dihydroxy-2',5'-dimethoxyisoflav-3-ene
{"Ingredient_id": "HBIN012923","Ingredient_name": "7,4'-dihydroxy-2',5'-dimethoxyisoflav-3-ene","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=CC(=C(C=C1C2=CC3=C(C=C(C=C3)O)OC2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5832","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-o-methylglabranin
{"Ingredient_id": "HBIN013408","Ingredient_name": "7-o-methylglabranin","Alias": "NA","Ingredient_formula": "C17H16O5","Ingredient_Smile": "COC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)O)OC","Ingredient_weight": "300.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14457","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "13963771","DrugBank_id": "NA"}
