Exact Mass: 448.0680598
Exact Mass Matches: 448.0680598
Found 449 metabolites which its exact mass value is equals to given mass value 448.0680598,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quercitrin
Quercitrin, also known as quercimelin or quercitronic acid, belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. Quercitrin exists in all living organisms, ranging from bacteria to humans. Quercitrin is found, on average, in the highest concentration within a few different foods, such as lingonberries, american cranberries, and olives and in a lower concentration in common beans, tea, and welsh onions. Quercitrin has also been detected, but not quantified, in several different foods, such as guava, bilberries, common pea, apricots, and spearmints. Quercitrin is a quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It has a role as an antioxidant, an antileishmanial agent, an EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a monosaccharide derivative, a tetrahydroxyflavone, an alpha-L-rhamnoside and a quercetin O-glycoside. It is a conjugate acid of a quercitrin-7-olate. Quercitrin is a natural product found in Xylopia emarginata, Lotus ucrainicus, and other organisms with data available. Quercitrin is a glycoside formed from the flavonoid quercetin and the deoxy sugar rhamnose. It is a constituent of the dye quercitron. Quercitrin is found in many foods, some of which are garden tomato (variety), kiwi, italian sweet red pepper, and guava. A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. [Raw Data] CBA03_Quercitrin_pos_10eV.txt [Raw Data] CBA03_Quercitrin_pos_20eV.txt [Raw Data] CBA03_Quercitrin_neg_50eV.txt [Raw Data] CBA03_Quercitrin_neg_30eV.txt [Raw Data] CBA03_Quercitrin_neg_10eV.txt [Raw Data] CBA03_Quercitrin_neg_40eV.txt [Raw Data] CBA03_Quercitrin_neg_20eV.txt [Raw Data] CBA03_Quercitrin_pos_50eV.txt [Raw Data] CBA03_Quercitrin_pos_30eV.txt [Raw Data] CBA03_Quercitrin_pos_40eV.txt Quercitrin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=522-12-3 (retrieved 2024-07-09) (CAS RN: 522-12-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Quercitrin (Quercetin 3-rhamnoside) is a bioflavonoid compound with potential anti-inflammation, antioxidative and neuroprotective effect. Quercitrin induces apoptosis of colon cancer cells. Quercitrin can be used for the research of cardiovascular and neurological disease research[1][2]. Quercitrin (Quercetin 3-rhamnoside) is a bioflavonoid compound with potential anti-inflammation, antioxidative and neuroprotective effect. Quercitrin induces apoptosis of colon cancer cells. Quercitrin can be used for the research of cardiovascular and neurological disease research[1][2]. Quercitrin (Quercetin 3-rhamnoside) is a bioflavonoid compound with potential anti-inflammation, antioxidative and neuroprotective effect. Quercitrin induces apoptosis of colon cancer cells. Quercitrin can be used for the research of cardiovascular and neurological disease research[1][2].
Isoorientin 7-O-(6'-O-(E)-feruloyl)glucoside
Isoorientin 7-o-(6-o-(e)-feruloyl)glucoside, also known as homoorientin or luteolin-6-C-beta-D-glucoside, is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Isoorientin 7-o-(6-o-(e)-feruloyl)glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isoorientin 7-o-(6-o-(e)-feruloyl)glucoside can be synthesized from luteolin. Isoorientin 7-o-(6-o-(e)-feruloyl)glucoside is also a parent compound for other transformation products, including but not limited to, isoorientin 7-O-glucoside, 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]isoorientin, and 7-O-(6-sinapoylglucosyl)isoorientin. Isoorientin 7-o-(6-o-(e)-feruloyl)glucoside can be found in barley, which makes isoorientin 7-o-(6-o-(e)-feruloyl)glucoside a potential biomarker for the consumption of this food product. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA21_Isoorientin_neg_20eV_1-3_01_1409.txt [Raw Data] CBA21_Isoorientin_pos_20eV_1-3_01_1382.txt [Raw Data] CBA21_Isoorientin_pos_50eV_1-3_01_1385.txt [Raw Data] CBA21_Isoorientin_neg_40eV_1-3_01_1411.txt [Raw Data] CBA21_Isoorientin_neg_10eV_1-3_01_1365.txt [Raw Data] CBA21_Isoorientin_neg_50eV_1-3_01_1412.txt [Raw Data] CBA21_Isoorientin_pos_10eV_1-3_01_1354.txt [Raw Data] CBA21_Isoorientin_pos_40eV_1-3_01_1384.txt [Raw Data] CBA21_Isoorientin_pos_30eV_1-3_01_1383.txt [Raw Data] CBA21_Isoorientin_neg_30eV_1-3_01_1410.txt Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM.
Luteolin 7-glucoside
Luteolin 7-O-beta-D-glucoside is a glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a glycosyloxyflavone, a trihydroxyflavone and a monosaccharide derivative. It is functionally related to a luteolin. It is a conjugate acid of a luteolin 7-O-beta-D-glucoside(1-). Cynaroside is a natural product found in Verbascum lychnitis, Carex fraseriana, and other organisms with data available. See also: Cynara scolymus leaf (part of); Lonicera japonica flower (part of); Chamaemelum nobile flower (part of). Luteolin 7-glucoside is found in anise. Luteolin 7-glucoside is a constituent of the leaves of Capsicum annuum (red pepper).Cynaroside is a flavone, a flavonoid-like chemical compound. It is a 7-O-glucoside of luteolin and can be found in dandelion coffee, in Ferula varia and F. foetida in Campanula persicifolia and C. rotundifolia and in Cynara scolymus (artichoke) A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Constituent of the leaves of Capsicum annuum (red pepper) Cynaroside (Luteolin 7-glucoside) is a flavonoid compound that exhibits anti-oxidative capabilities. Cynaroside is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 32 nM. Cynaroside also is a promising inhibitor for H2O2-induced apoptosis, has cytoprotection against oxidative stress-induced cardiovascular diseases. Cynaroside also has antibacterial, antifungal and anticancer activities, antioxidant and anti-inflammatory activities[1][3][4][5].
Orientin
Orientin is a C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. It has a role as an antioxidant and a metabolite. It is a C-glycosyl compound, a tetrahydroxyflavone and a 3-hydroxyflavonoid. It is functionally related to a luteolin. Orientin is a natural product found in Itea chinensis, Vellozia epidendroides, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of); Fenugreek seed (part of); Acai fruit pulp (part of). Orientin is found in barley. Orientin is isolated from Hordeum vulgare (barley) and Passiflora incarnata (maypops).Orientin is a flavone, a chemical flavonoid-like compound found in the passion flower, the palm and Anadenanthera peregrina. Orientin is also reported in millets and in the Phyllostachys nigra bamboo leaves Isolated from Hordeum vulgare (barley) and Passiflora incarnata (maypops) [Raw Data] CBA20_Orientin_pos_40eV_1-2_01_1380.txt [Raw Data] CBA20_Orientin_neg_20eV_1-2_01_1405.txt [Raw Data] CBA20_Orientin_neg_50eV_1-2_01_1408.txt [Raw Data] CBA20_Orientin_neg_40eV_1-2_01_1407.txt [Raw Data] CBA20_Orientin_pos_50eV_1-2_01_1381.txt [Raw Data] CBA20_Orientin_neg_30eV_1-2_01_1406.txt [Raw Data] CBA20_Orientin_pos_20eV_1-2_01_1378.txt [Raw Data] CBA20_Orientin_pos_30eV_1-2_01_1379.txt [Raw Data] CBA20_Orientin_pos_10eV_1-2_01_1353.txt [Raw Data] CBA20_Orientin_neg_10eV_1-2_01_1364.txt Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2]. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2].
Glucobrassicin
C16H20N2O9S2 (448.06101900000004)
Constituent of Brassica and Raphanus subspecies, e.g. rape (Brassica napus variety napus) and Brussels sprouts (Brassica oleracea variety gemmifera). Glucobrassicin is found in many foods, some of which are capers, swede, white cabbage, and common cabbage. Glucobrassicin is found in brassicas. Glucobrassicin is a constituent of Brassica and Raphanus species, e.g. rape (Brassica napus var. napus) and Brussels sprouts (Brassica oleracea var. gemmifera)
Astragalin
Kaempferol 3-O-beta-D-glucoside is a kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. It has a role as a trypanocidal drug and a plant metabolite. It is a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a beta-D-glucoside. It is a conjugate acid of a kaempferol 3-O-beta-D-glucoside(1-). Astragalin is a natural product found in Xylopia aromatica, Ficus virens, and other organisms with data available. See also: Moringa oleifera leaf (has part). Astragalin is found in alcoholic beverages. Astragalin is present in red wine. It is isolated from many plant species.Astragalin is a 3-O-glucoside of kaempferol. Astragalin is a chemical compound. It can be isolated from Phytolacca americana (the American pokeweed). A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. Present in red wine. Isolated from many plant subspecies Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 173 Astragalin (Astragaline) a flavonoid with anti-inflammatory, antioxidant, anticancer, bacteriostatic activity. Astragalin inhibits cancer cells proliferation and migration, induces apoptosis. Astragalin is orally active and provides nerve and heart protection, and resistance against and osteoporosis[1]. Astragalin (Astragaline) a flavonoid with anti-inflammatory, antioxidant, anticancer, bacteriostatic activity. Astragalin inhibits cancer cells proliferation and migration, induces apoptosis. Astragalin is orally active and provides nerve and heart protection, and resistance against and osteoporosis[1].
Plantaginin
A glycosyloxyflavone that is scutellarein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Annotation level-1
Carthamone
Isolated from flowers of Carthamus tinctorius (safflower). Carthamone is found in safflower, fats and oils, and herbs and spices. Carthamone is found in fats and oils. Carthamone is isolated from flowers of Carthamus tinctorius (safflower).
Temocaprilat
Temocaprilat belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
Trifolin
Kaempferol 3-o-beta-d-galactopyranoside, also known as trifolin or trifolioside, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-o-beta-d-galactopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-beta-d-galactopyranoside can be found in horseradish, which makes kaempferol 3-o-beta-d-galactopyranoside a potential biomarker for the consumption of this food product. Kaempferol 3-O-beta-D-galactoside is a beta-D-galactoside compound with a 4,5,7-trihydroxychromen-3-yl group at the anomeric position. It has a role as a plant metabolite and an antifungal agent. It is a beta-D-galactoside, a monosaccharide derivative, a glycosyloxyflavone and a trihydroxyflavone. It is functionally related to a kaempferol. It is a conjugate acid of a kaempferol 3-O-beta-D-galactoside(1-). Trifolin is a natural product found in Lotus ucrainicus, Saxifraga tricuspidata, and other organisms with data available. Isoastragalin is found in fats and oils. Isoastragalin is isolated from Gossypium hirsutum (cotton) and other plant species. A beta-D-galactoside compound with a 4,5,7-trihydroxychromen-3-yl group at the anomeric position.
Temocaprilat
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor
Kaempferol_7-O-glucoside
Kaempferol 7-O-beta-D-glucopyranoside is a kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite, a radical scavenger and a plant metabolite. It is a beta-D-glucoside, a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a member of flavonols. It is functionally related to a beta-D-glucose. kaempferol 7-O-glucoside is a natural product found in Lotus ucrainicus, Aconitum variegatum, and other organisms with data available. See also: Ginkgo (part of). A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
Isoorientin
Isoorientin is a flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position. It has a role as a radical scavenger and an antineoplastic agent. It is a tetrahydroxyflavone and a flavone C-glycoside. It is functionally related to a luteolin. It is a conjugate acid of an isoorientin(1-). Isoorientin is a natural product found in Carex fraseriana, Itea chinensis, and other organisms with data available. See also: Acai fruit pulp (part of). A C-glycosyl compound consisting of luteolin having a beta-D-glucosyl residue at the 6-position. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM.
Isoorientin
Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM.
Luteolin 4'-glucoside
Luteolin 4-glucoside is isolated from Spartium junceum and many other plant species [CCD]. Isolated from Spartium junceum and many other plant subspecies [CCD]
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
Azaleatin 3-arabinoside
Azaleatin 3-arabinoside is found in nuts. Azaleatin 3-arabinoside is isolated from pecan nuts Carya pecan. Isolated from pecan nuts Carya pecan. Azaleatin 3-arabinoside is found in nuts.
naringenin-7-O-glucuronide
Naringenin-7-O-glucuronide is an orange/orange juice metabolite in urine.
2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione
2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is found in fruits. 2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is isolated from leaves of Garcinia dulcis (mundu). Isolated from leaves of Garcinia dulcis (mundu). 2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is found in fruits.
Kaempferol 5-glucoside
Kaempferol 5-glucoside is found in green vegetables. Kaempferol 5-glucoside is isolated from Pteridium aquilinum (bracken fern). Isolated from Pteridium aquilinum (bracken fern). Kaempferol 5-glucoside is found in green vegetables and root vegetables.
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside
1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside is found in coffee and coffee products. 1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside is a constituent of the seeds of Cassia tora (charota). Constituent of the seeds of Cassia tora (charota). 1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside is found in coffee and coffee products, herbs and spices, and pulses.
6-[(5,8-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Luteolin 7-galactoside
Luteolin 7-galactoside is found in fruits. Luteolin 7-galactoside is isolated from Capsella bursa-pastoris (shepherds purse). Isolated from Capsella bursa-pastoris (shepherds purse). Luteolin 7-galactoside is found in herbs and spices and fruits.
Naringenin 4'-O-glucuronide
Naringenin 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313). It is an orange/orange juice metabolite in urine.
Naringenin 5-O-glucuronide
Naringenin 5-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Naringenin 7-O-glucuronide
Naringenin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Curcumin sulfate
Kaempferol 7-O-glucoside
(2S)-2-[[(2S,6R)-4-(Carboxymethyl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid
6-Benzyl-1-(benzyloxymethyl)-5-iodouracil
Isoorientin
Quercetin 3-O-rhamnoside
Quercetin 7-rhamnoside
(2S,3S,4S,5R)-6-[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Isolated from French beans. Xylosylastragalin is found in pulses.
Aureusin
Aureusin is a member of the class of compounds known as aurone o-glycosides. Aurone o-glycosides are aurone flavonoids containing a carbohydrate moiety O-glycosidically bound to the aurone skeleton. Aureusin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Aureusin can be found in lemon, which makes aureusin a potential biomarker for the consumption of this food product.
Kaempferol 3-O-alpha-L-galactoside
Kaempferol 3-o-alpha-l-galactoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-o-alpha-l-galactoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-alpha-l-galactoside can be found in corn and sweet bay, which makes kaempferol 3-o-alpha-l-galactoside a potential biomarker for the consumption of these food products.
Luteolin 5-glucoside
Luteolin 5-glucoside is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Thus, luteolin 5-glucoside is considered to be a flavonoid lipid molecule. Luteolin 5-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Luteolin 5-glucoside can be found in olive, which makes luteolin 5-glucoside a potential biomarker for the consumption of this food product.
Ellagic acid 2-rhamnoside
Ellagic acid 2-rhamnoside is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Ellagic acid 2-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ellagic acid 2-rhamnoside can be found in pomegranate, which makes ellagic acid 2-rhamnoside a potential biomarker for the consumption of this food product.
Kaempferol 7-glucoside
Kaempferol 7-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Kaempferol 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 7-glucoside can be found in a number of food items such as flaxseed, ginkgo nuts, white cabbage, and saffron, which makes kaempferol 7-glucoside a potential biomarker for the consumption of these food products.
6-Hydroxyluteolin 7-rhamnoside
6-hydroxyluteolin 7-rhamnoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. 6-hydroxyluteolin 7-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxyluteolin 7-rhamnoside can be found in mexican oregano, which makes 6-hydroxyluteolin 7-rhamnoside a potential biomarker for the consumption of this food product.
6-methylthiohexylglucosinolate
C14H26NO9S3 (448.07696460000005)
6-methylthiohexylglucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 6-methylthiohexylglucosinolate can be found in a number of food items such as chinese cabbage, soy bean, mixed nuts, and evergreen huckleberry, which makes 6-methylthiohexylglucosinolate a potential biomarker for the consumption of these food products.
cyanidin-3-O-beta-D-glucoside
Cyanidin-3-o-beta-d-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin-3-o-beta-d-glucoside can be found in a number of food items such as celeriac, squashberry, chinese broccoli, and peanut, which makes cyanidin-3-o-beta-d-glucoside a potential biomarker for the consumption of these food products.
tyrosine-betaxanthin
Luteollin5-glucoside
Luteolin 5-glucoside is a natural product found in Verbascum lychnitis, Gentiana arisanensis, and other organisms with data available. Luteolin 5-O-glucoside, a major flavonoidfrom Cirsium maackii, possesses anti-inflammatory activity. Luteolin 5-O-glucoside inhibits LPS-induced NO production and t-BHP-induced ROS generation. Luteolin 5-O-glucoside suppresses the expression of iNOS and COX-2 in macrophages[1]. Luteolin 5-O-glucoside, a major flavonoidfrom Cirsium maackii, possesses anti-inflammatory activity. Luteolin 5-O-glucoside inhibits LPS-induced NO production and t-BHP-induced ROS generation. Luteolin 5-O-glucoside suppresses the expression of iNOS and COX-2 in macrophages[1].
VincetoxicosideB
Quercetin 7-O-alpha-L-rhamnopyranoside is a quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite. It is an alpha-L-rhamnoside, a monosaccharide derivative, a tetrahydroxyflavone, a quercetin O-glycoside and a member of flavonols. It is functionally related to an alpha-L-rhamnopyranose. Vincetoxicoside B is a natural product found in Cleome amblyocarpa, Schouwia purpurea, and other organisms with data available. Vincetoxicoside B shows antifungal activity[1]. Vincetoxicoside B shows antifungal activity[1].
Rhodionin
Rhodionin is a natural product found in Rhodiola rosea, Rhodiola crenulata, and Rhodiola sachalinensis with data available. Rhodionin, isolated from the root of Rhodiola crenulata, is a specific non-competitive cytochrome P450 2D6 inhibitor with an IC50 of 0.761 μM and a Ki of 0.769 μM[1]. Rhodionin exhibits potent, dose-dependent inhibitory effects on acetylcholinesterase (AChE) with IC50 ranged from 57.50 to 2.43 μg/mL[2]. Rhodionin exhibits potent DPPH free radical scavenging activities, with an IC50 of 19.49 μM[3]. Rhodionin, isolated from the root of Rhodiola crenulata, is a specific non-competitive cytochrome P450 2D6 inhibitor with an IC50 of 0.761 μM and a Ki of 0.769 μM[1]. Rhodionin exhibits potent, dose-dependent inhibitory effects on acetylcholinesterase (AChE) with IC50 ranged from 57.50 to 2.43 μg/mL[2]. Rhodionin exhibits potent DPPH free radical scavenging activities, with an IC50 of 19.49 μM[3].
Quercetin
Quercetin 7-O-alpha-L-rhamnopyranoside is a quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite. It is an alpha-L-rhamnoside, a monosaccharide derivative, a tetrahydroxyflavone, a quercetin O-glycoside and a member of flavonols. It is functionally related to an alpha-L-rhamnopyranose. Vincetoxicoside B is a natural product found in Cleome amblyocarpa, Schouwia purpurea, and other organisms with data available. A quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. Vincetoxicoside B shows antifungal activity[1]. Vincetoxicoside B shows antifungal activity[1].
6-C-Galactosylluteolin
Astragalin
Astragalin (Astragaline) a flavonoid with anti-inflammatory, antioxidant, anticancer, bacteriostatic activity. Astragalin inhibits cancer cells proliferation and migration, induces apoptosis. Astragalin is orally active and provides nerve and heart protection, and resistance against and osteoporosis[1]. Astragalin (Astragaline) a flavonoid with anti-inflammatory, antioxidant, anticancer, bacteriostatic activity. Astragalin inhibits cancer cells proliferation and migration, induces apoptosis. Astragalin is orally active and provides nerve and heart protection, and resistance against and osteoporosis[1].
Vincetoxicoside B
Acquisition and generation of the data is financially supported in part by CREST/JST. Vincetoxicoside B shows antifungal activity[1]. Vincetoxicoside B shows antifungal activity[1].
5,7,3,4-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside
Cernuoside
Dracocephaloside
5,7,2,6-Tetrahydroxyflavone 2-O-glucoside
Rhamnetin 3-alpha-L-arabinofuranoside
6-C-Galactosylisoscutellarein
galuteolin
Luteolin 5-O-glucoside, a major flavonoidfrom Cirsium maackii, possesses anti-inflammatory activity. Luteolin 5-O-glucoside inhibits LPS-induced NO production and t-BHP-induced ROS generation. Luteolin 5-O-glucoside suppresses the expression of iNOS and COX-2 in macrophages[1]. Luteolin 5-O-glucoside, a major flavonoidfrom Cirsium maackii, possesses anti-inflammatory activity. Luteolin 5-O-glucoside inhibits LPS-induced NO production and t-BHP-induced ROS generation. Luteolin 5-O-glucoside suppresses the expression of iNOS and COX-2 in macrophages[1].
Artonin P
6-Hydroxyluteolin 6-rhamnoside
8-C-beta-D-Glucopyranosylkaempferol
6-C-Glucopyranosylkaempferol
Hypolaetin 8-rhamnoside
8-C-Galactosylluteolin
Aureusin
Carthamone
Lutexin
Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2]. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2].
Isoorientin
Isolated from wheat leaves (Triticum species). Isoorientin 6-diglucoside is found in wheat and cereals and cereal products. Isoorientin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Isoorientin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isoorientin can be found in a number of food items such as oat, prairie turnip, common buckwheat, and common salsify, which makes isoorientin a potential biomarker for the consumption of these food products. Isoorientin (or homoorientin) is a flavone, a chemical flavonoid-like compound. It is the luteolin-6-C-glucoside. Bioassay-directed fractionation techniques led to isolation of isoorientin as the main hypoglycaemic component in Gentiana olivieri . Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM.
Kaempferol 5-glucoside
Maritimein
Acquisition and generation of the data is financially supported in part by CREST/JST. Maritimein is a natural product found in Bidens bipinnata, Viguiera dentata, and other organisms with data available.
Quercitrin
Quercitrin (Quercetin 3-rhamnoside) is a bioflavonoid compound with potential anti-inflammation, antioxidative and neuroprotective effect. Quercitrin induces apoptosis of colon cancer cells. Quercitrin can be used for the research of cardiovascular and neurological disease research[1][2]. Quercitrin (Quercetin 3-rhamnoside) is a bioflavonoid compound with potential anti-inflammation, antioxidative and neuroprotective effect. Quercitrin induces apoptosis of colon cancer cells. Quercitrin can be used for the research of cardiovascular and neurological disease research[1][2]. Quercitrin (Quercetin 3-rhamnoside) is a bioflavonoid compound with potential anti-inflammation, antioxidative and neuroprotective effect. Quercitrin induces apoptosis of colon cancer cells. Quercitrin can be used for the research of cardiovascular and neurological disease research[1][2].
Trifolin
Isolated from Gossypium hirsutum (cotton) and other plant subspecies Isoastragalin is found in fats and oils. Isolated from liquorice (Glycyrrhiza glabra). Acetylastragalin is found in herbs and spices. Widespread occurrence in plant world, e.g. Pinus sylvestris (Scotch pine) and fruits of Scolymus hispanicus (Spanish salsify). Kaempferol 3-galactoside is found in many foods, some of which are horseradish, almond, peach, and tea.
EP_M449
C20H18ClFN4O3S (448.07721200000003)
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2202
apigenin 8-C-beta-d-glucopyranoside|isoscutellarein-8-O-beta-D-glucopyranoside|vitexin|Vitexin, 4,5,7-Trihydroxy-flavon-C,8-glucosid|vitexine
1,2,8-trihydroxy-3-methyl-O-beta-D-glucopyranoside anthraquinone|kwanzoquinone F
Isocynarosid; 7-beta-D-Glucofuranosyloxy-3,4-5-trihydroxyflavon
11-O-(4-hydroxybenzoyl)bergenin|11-O-(p-hydroxybenzoyl)bergenin|11-O-p-hydroxybenzoylbergenin|bergenin 11-O-p-hydroxybenzoate
3-(2-hydroxy-p-O-beta-D-glucopyranosyloxyphenyl)-4,7-dihydroxy-2H-1-benzopyran-2-one|asphodelin A 4-O-beta-D-glucoside
8,3,4-trihydroxyflavone-7-O-beta-D-glucopyranoside
2?-hydroxy-3?,4?-methylenedioxydibenzoyl-4?-O-beta-D-glucopyranoside|sophodibenzoside I
Luteolin 7-O-glucoside
(2S,3S)-5,7,4?-trihydroxy-2,3-dihydrocoumaronochromone 4?-O-beta-D-glucopyranoside|boeravinone O
(+/-)-(3E,6S*,7R*,95*,10S*,12R*)-9-chloro-13-bromo-6:12-epoxy-7,10-diacetoxypentadec-3-en-1-yne
3-O-Arabinoside-3,3,5,7-Tetrahydroxy-4-methoxyflavone
5,7,3,5-tetrahydroxyflavanone-7-O-beta-D-glucopyranoside
1,2,6,8-tetrahydroxy-3-methylanthraquinone 1-O-beta-D-glucopyranoside
3-O-beta-D-Glucopyranoside-1,3,5,8-Tetrahydroxy-2-methylanthraquinone
6,7,8-trihydroxy-2-(4-glucopyranosyl-phenyl)-4H-chromen-4-one
2-[[[4-[[[4-[(1,3-Benzodioxole-5-yl)methyl]-2,3-dihydro-1-methyl-1H-imidazole]-2-ylidene]amino]-2,5-dihydro-5-oxo-1-methyl-1H-imidazole]-2-ylidene]amino]ethanesulfonic acid
C18H20N6O6S (448.11649800000004)
GW842166X
Dihydrobaicalin
Dihydrobaicalin is a natural product found in Scutellaria amoena, Scutellaria lateriflora, and other organisms with data available.
Kaempferol 4-glucoside
Kaempferol 4-O-beta-D-glucopyranoside is a kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 4 via a glycosidic linkage. It has a role as a plant metabolite. It is a beta-D-glucoside, a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a member of flavonols. Kaempferol 4-glucoside is a natural product found in Urena lobata with data available. A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 4 via a glycosidic linkage. 3,5,7-trihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4h-chromen-4-one is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3,5,7-trihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,5,7-trihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4h-chromen-4-one can be found in garden onion and sweet cherry, which makes 3,5,7-trihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4h-chromen-4-one a potential biomarker for the consumption of these food products.
Luteolin-4Glucoside
Luteolin-4-O-beta-D-glucopyranoside is a glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has been isolated from Olea europaea. It has a role as a plant metabolite. It is a glycosyloxyflavone, a monosaccharide derivative, a beta-D-glucoside and a trihydroxyflavone. It is functionally related to a luteolin. Luteolin-4-o-glucoside is a natural product found in Leontodon saxatilis, Urospermum dalechampii, and other organisms with data available. A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has been isolated from Olea europaea.
8,3,4-Trihydroxyflavone-7-O-β-D-glucopyranoside
Indolylmethyl glucosinolate
C16H20N2O9S2 (448.06101900000004)
Annotation level-3 Acquisition and generation of the data is financially supported by the Max-Planck-Society
Luteolin-4-O-glucoside
Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST.
Cynaroside
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.761 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.765 Cynaroside (Luteolin 7-glucoside) is a flavonoid compound that exhibits anti-oxidative capabilities. Cynaroside is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 32 nM. Cynaroside also is a promising inhibitor for H2O2-induced apoptosis, has cytoprotection against oxidative stress-induced cardiovascular diseases. Cynaroside also has antibacterial, antifungal and anticancer activities, antioxidant and anti-inflammatory activities[1][3][4][5].
Orientin
Orientin is a C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. It has a role as an antioxidant and a metabolite. It is a C-glycosyl compound, a tetrahydroxyflavone and a 3-hydroxyflavonoid. It is functionally related to a luteolin. Orientin is a natural product found in Itea chinensis, Vellozia epidendroides, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of); Fenugreek seed (part of); Acai fruit pulp (part of). A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2]. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2].
luteolin-7-O-glucoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid
5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3-methoxychromen-4-one
Glucobrassicin
C16H20N2O9S2 (448.06101900000004)
An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur.
Glucobrassicin (Indol-3-ylmethylglucosinolate)
C16H20N2O9S2 (448.06101900000004)
Homoorientin
Origin: Plant; Formula(Parent): C21H20O11; Bottle Name:Homoorientin / luteolin-7-O-glucoside / Orientin; PRIME Parent Name:Luteolin-6-C-glucoside / Luteolin-7-O-glucoside / Luteolin-8-C-glucoside; PRIME in-house No.:?H0033 H0034 S0306, Pyrans (?H0033: Luteolin-6-C-glucoside, ?H0034: Luteolin-7-O-glucoside, ?S0306: Luteolin-8-C-glucoside) Isoorientin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4261-42-1 (retrieved 2024-07-09) (CAS RN: 4261-42-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2]. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2].
4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3-methoxychromen-4-one
Glucoluteolin
Origin: Plant; Formula(Parent): C21H20O11; Bottle Name:Homoorientin / luteolin-7-O-glucoside / Orientin; PRIME Parent Name:Luteolin-6-C-glucoside / Luteolin-7-O-glucoside / Luteolin-8-C-glucoside; PRIME in-house No.:?H0033 H0034 S0306, Pyrans (?H0033: Luteolin-6-C-glucoside, ?H0034: Luteolin-7-O-glucoside, ?S0306: Luteolin-8-C-glucoside) Origin: Plant,; PRIME Parent Name:Luteolin-6-C-glucoside / Luteolin-7-O-glucoside / Luteolin-8-C-glucoside; Synonyms : Lutl-6-C-Glc; Homoorientin; Isoorientin; luteolin-6-C-glucoside; luteolin- 6-C-beta-D-glucopyranoside / Lutl-7-Glc; Cynaroside; Cinaroside; Glucoluteolin; 7-Glucosylluteolin; Luteoloside; Luteolin 7-O-beta-D-glucoside; Luteolin 7-O-glucopyranoside; 7-O-beta-D-Glucosyl-5,7,3,4-tetrahydroxyflavone; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one / Lutl-8-C-Glc; Orientin; Lutexin; 8-beta-D-glucosylluteolin; luteolin-8-c-beta-d-glucopyranoside; PRIME in-house No.:?H0033 H0034 S0306, Pyrans (?H0033: Luteolin-6-C-glucoside, ?H0034: Luteolin-7-O-glucoside, ?S0306: Luteolin-8-C-glucoside) Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2]. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2].
Lutl-6-C-Glc
Origin: Plant; Formula(Parent): C21H20O11; Bottle Name:Homoorientin / luteolin-7-O-glucoside / Orientin; PRIME Parent Name:Luteolin-6-C-glucoside / Luteolin-7-O-glucoside / Luteolin-8-C-glucoside; PRIME in-house No.:?H0033 H0034 S0306, Pyrans (?H0033: Luteolin-6-C-glucoside, ?H0034: Luteolin-7-O-glucoside, ?S0306: Luteolin-8-C-glucoside) Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2]. Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2].
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid [IIN-based: Match]
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid [IIN-based on: CCMSLIB00000846495]
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one [IIN-based: Match]
GW 842166X
naringenin-4-O-glucuronide
Naringenin-7-O-glucuronide
1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside
4'',5,5',7,7'-Pentahydroxyflavanone-(3,8)-chromone
Azaleatin 3-arabinoside
Naringenin 4'-O-glucuronide
Naringenin 5-O-glucuronide
N,N-(((4-methyl-1,3-phenylene)bis(azanediyl))bis(carbonothioyl))dibenzamide
Allitinib
C24H18ClFN4O2 (448.11022499999996)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)azo]phenyl]azo]benzenesulphonate
C20H17N4NaO5S (448.08173120000004)
XL147
C21H16N6O2S2 (448.07761159999995)
Chloro(2-ethyl-1,3-cyclopentadien-1-yl)nickel - triphenylphosphin e (1:1)
6-(4-chlorophenyl)sulfanyl-5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]pyridine-3-carboxamide
C19H17ClN4O5S (448.06081420000004)
PERFLUOROHEXYLETHYL DIMETHYLBUTYL ETHER
C14H17F13O (448.10717479999994)
2,6-diamino-7,9-dihydropurin-8-one,sulfuric acid,hydrate
3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
Methyl ((S)-1-((S)-2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-Methyl-1-oxobutan-2-yl)carbamate
4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide
ethyl 6-broMo-5-hydroxy-1-Methyl-2-((phenylthioMethylaMino)Methyl)-1H-indole-3-carboxylate
1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]-2-chloroethanone
C18H11ClF6N4O (448.05255379999994)
Ziprasidone HCl
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
[2-(3-Dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
C20H18O8P2 (448.04768879999995)
5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
2-(3,4-Dihydroxyphenyl)-8-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
C21H12N4O4S2 (448.02999520000003)
N-(2-aminoethyl)-2,4-dichloro-N-{4-[(4-chlorophenyl)methoxy]phenyl}benzamide
cinaroside
Cynaroside (Luteolin 7-glucoside) is a flavonoid compound that exhibits anti-oxidative capabilities. Cynaroside is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 32 nM. Cynaroside also is a promising inhibitor for H2O2-induced apoptosis, has cytoprotection against oxidative stress-induced cardiovascular diseases. Cynaroside also has antibacterial, antifungal and anticancer activities, antioxidant and anti-inflammatory activities[1][3][4][5].
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
cyanidin-3-O-beta-D-glucoside
Cyanidin-3-o-beta-d-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin-3-o-beta-d-glucoside can be found in a number of food items such as celeriac, squashberry, chinese broccoli, and peanut, which makes cyanidin-3-o-beta-d-glucoside a potential biomarker for the consumption of these food products. Cyanidin-3-o-β-d-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin-3-o-β-d-glucoside can be found in a number of food items such as celeriac, squashberry, chinese broccoli, and peanut, which makes cyanidin-3-o-β-d-glucoside a potential biomarker for the consumption of these food products.
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
5,6-Dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
4-(3,4-Dihydroxyphenyl)-5-beta-D-glucopyranosyloxy-7-hydroxycoumarin
kaempferol 5-O-beta-D-glucopyranoside
A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 5 via a glycosidic linkage.
kaempferol 7-O-beta-D-galactopyranoside
A glycosyloxyflavone that is kaempferol attached to a beta-D-galactopyranosyl moiety at position 7 via a glycosidic linkage.
5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-3,5-diene-1,2-dione
(2S,3S,4S,5R)-6-[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
quercetin 3-O-alpha-L-fucopyranoside
A quercetin O-glycoside that is quercetin attached to a alpha-L-fucopyranosyl moiety at position 3 via a glycosidic linkage.
kaempferol 3-O-beta-D-allopyranoside
A glycosyloxyflavone that is kaempferol attached to a beta-D-allopyranosyl moiety at position 3 via a glycosidic linkage.
quercetin 3-O-beta-L-fucopyranoside
A quercetin O-glycoside that is quercetin attached to a beta-L-fucopyranosyl moiety at position 3 via a glycosidic linkage.
S-[(2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-oxo-3-(1H-1,2,4-triazol-1-yl)propan-2-yl]-L-cysteine
C20H18ClFN4O3S (448.07721200000003)
cyanidin 3-O-beta-D-galactoside betaine
An oxonium betaine that is the conjugate base of cyanidin 3-O-beta-D-galactoside, arising from regioselective deprotonation of the 5-hydroxy group. Major structure at pH 7.3
6-(Methylthio)hexyl-glucosinolate
C14H26NO9S3- (448.07696460000005)
2-(3,4-dihydroxyphenyl)-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one
cyanidin 3-O-beta-D-glucoside betaine
An oxonium betaine that is the conjugate base of cyanidin 3-O-beta-D-glucoside, arising from selective deprotonation of the 5-hydroxy group on the chromene ring; major species at pH 7.3.
kaempferol 3-O-beta-L-glucopyranoside
A kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 3 via a glycosidic linkage.
quercetin 3-O-beta-D-fucopyranoside
A quercetin O-glycoside that is quercetin attached to a beta-D-fucopyranosyl moiety at position 3 via a glycosidic linkage.
asphodelin A-4-O-beta-glucoside
A beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4 of asphodelin A via a glycosidic linkage. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea.
quercetin 7-O-alpha-D-rhamnopyranoside
A quercetin O-glycoside that is quercetin attached to a alpha-D-rhamnopyranosyl moiety at position 7 via a glycosidic linkage.
N-[3-[(2,6-difluorophenyl)sulfonylamino]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
3-L-threonyl-AMP
An L-threonine derivative that is the ester obtained by formal condensation of the carboxy group of L-threonine with the 3-hydroxy group of AMP.
1-(4-Bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester
2-(2,4-Dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
quercetin 3-O-alpha-L-rhamnofuranoside
A quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnofuranosyl moiety at position 3 via a glycosidic linkage.
kaempferol 3-O-alpha-L-glucopyranoside
A kaempferol O-glucoside that is kaempferol attached to an alpha-L-glucopyranosyl moiety at position 3 via a glycosidic linkage.
2-Phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
C19H20N4O3S3 (448.06974900000006)
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
N-[5-[2-(5-chloro-2-methylanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
2-[[(2-Chlorophenyl)-oxomethyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
C18H13Cl2F3N2O4 (448.02044340000003)
N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide
C21H16N6O2S2 (448.07761159999995)
Isoscutellarein glycoside
A C-glycosyl compound that is isoscutellarein attached to a beta-D-glucopyranosyl moiety at position 6 via a C-glycosidic linkage. Isolated from the rhizomes of Iris pseudopumila, it exhibits antioxidant activity.
quercetin 3-O-beta-L-rhamnofuranoside
A quercetin O-glycoside that is quercetin attached to a beta-L-rhamnofuranosyl moiety at position 3 via a glycosidic linkage.
kaempferol 3-O-beta-D-glucofuranoside
A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucofuranosyl moiety at position 3 via a glycosidic linkage.
kaempferol 5-O-beta-L-glucopyranoside
A kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 5 via a glycosidic linkage.
6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonic acid
quercetin 7-O-beta-L-rhamnopyranoside
A quercetin O-glycoside that is quercetin attached to a beta-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage.
quercetin 3-O-alpha-D-rhamnofuranoside
A quercetin O-glycoside that is quercetin attached to a alpha-D-rhamnofuranosyl moiety at position 3 via a glycosidic linkage.
(1R,9S,10S,11S)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
[8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxopyrano[3,2-g]chromen-2-yl]methyl hydrogen sulate
C20H16O10S (448.04641560000005)
(1S,9R,10R,11R)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
methyl 3-O-(3-O-sulfonato-beta-D-glucopyranosyluronate)-beta-D-galactopyranoside
C13H20O15S-2 (448.0522890000001)
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
[3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxopyrano[2,3-h]chromen-8-yl]methyl hydrogen sulate
C20H16O10S (448.04641560000005)
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate
C16H20N2O9S2 (448.06101900000004)
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(3R,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Fisetin 8-C-glucoside
A flavone C-glycoside that is fisetin substituted by a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione
indolylmethylglucosinolate
C16H20N2O9S2 (448.06101900000004)
A glucosinolate that is the conjugate base of indolylmethylglucosinolic acid.
KP372-1
KP372-1 is an Akt inhibitor that inhibits proliferation and induces apoptosis and anoikis. KP372-1 is also an NQO1 redox cycling agent that causes DNA damage (including DNA breakage) by generating ROS. KP372-1 can be used in cancer research (such as head and neck squamous cell carcinoma (HNSCC) and pancreatic cancer)[1][2][3].
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-3-one
(16s,17r)-17-(3,4-dihydroxyphenyl)-6,11,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,6,8,10,13,19-heptaen-5-one
7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
1,8-dihydroxy-3-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione
5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)-2-(3,4,5-trihydroxyphenyl)chromen-4-one
6,14-dihydroxy-7-methoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
2-(3,5-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one
2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-3-one
(4s,4as,11r,11ar,12as)-7-chloro-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-1,12-dioxo-4a,5,11,11a-tetrahydro-4h-tetracene-2-carboximidic acid
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4r,5s)-3,4,5-trihydroxy-4-methyloxan-2-yl]oxy}chromen-4-one
4,7-dihydroxy-3-(2-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-2-one
[(z)-[2-(1h-indol-3-yl)-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
C16H20N2O9S2 (448.06101900000004)
(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1s)-1-bromopropyl]-5-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
[(e)-[2-(1h-indol-3-yl)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
C16H20N2O9S2 (448.06101900000004)