Exact Mass: 448.100557
Exact Mass Matches: 448.100557
Found 500 metabolites which its exact mass value is equals to given mass value 448.100557,
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].
Sakuranin
C22H24O10 (448.13694039999996)
A flavanone glycoside that is sakuranetin attached to a beta-D-glucopyranosyl residue at position 5 via a glycosidic linkage.
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]
Isosakuranin
C22H24O10 (448.13694039999996)
Puddumin B is found in fruits. Puddumin B is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus subspecies Isosakuranetin 7-glucoside is found in fruits. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].
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.
Piperenol C
C22H24O10 (448.13694039999996)
Piperenol C is found in herbs and spices. Piperenol C is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Piperenol C is found in herbs and spices.
7-Hydroxy-8-O-methylaloin B
C22H24O10 (448.13694039999996)
7-Hydroxy-8-O-methylaloin A is a constituent of Aloe vera leaf
Chalconosakuranetin
C22H24O10 (448.13694039999996)
Chalconosakuranetin is found in black walnut. Chalconosakuranetin is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus cerasoides (wild Himalayan cherry). Chalconosakuranetin is found in black walnut and fruits.
naringenin-7-O-glucuronide
Naringenin-7-O-glucuronide is an orange/orange juice metabolite in urine.
Aromadendrin 4'-methyl ether 7-rhamnoside
C22H24O10 (448.13694039999996)
Aromadendrin 4-methyl ether 7-rhamnoside is found in citrus. Aromadendrin 4-methyl ether 7-rhamnoside is a constituent of the fruit of orange (Citrus sinensis). Constituent of the fruit of orange (Citrus sinensis). Aromadendrin 4-methyl ether 7-rhamnoside is found in sweet orange and citrus.
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
Puddumin A
C22H24O10 (448.13694039999996)
Constituent of Prunus cerasoides (wild Himalayan cherry). 5-Methylnaringenin 7-glucoside is found in fruits. Puddumin A is found in fruits. Puddumin A is a constituent of Prunus cerasoides (wild Himalayan cherry).
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).
4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide is a conjugate of 4-hydroxy-5-(3,4,5-trihydroxyphenyl)-valeric acid-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
Curcumin sulfate
Kaempferol 7-O-glucoside
8-Chlorodiltiazem
C22H25ClN2O4S (448.12234800000004)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
(2S)-2-[[(2S,6R)-4-(Carboxymethyl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid
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.
Trombodipine
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.
Sakuranin
C22H24O10 (448.13694039999996)
Sakuranin 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, sakuranin is considered to be a flavonoid lipid molecule. Sakuranin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sakuranin can be found in black walnut and prunus (cherry, plum), which makes sakuranin a potential biomarker for the consumption of these food products. Sakuranin is a flavanone, a type of flavonoid. It is the O-glucoside of sakuranetin. It can be found in Prunus sp .
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.
Dihydrowogonin 7-glucoside
C22H24O10 (448.13694039999996)
Dihydrowogonin 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. Dihydrowogonin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrowogonin 7-glucoside can be found in sour cherry, which makes dihydrowogonin 7-glucoside a potential biomarker for the consumption of this food product.
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].
Isosakuranin
C22H24O10 (448.13694039999996)
Isosakuranin is a member of flavonoids and a glycoside. CID 102004611 is a natural product found in Prunus leveilleana, Prunus verecunda, and other organisms with data available. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].
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
Dihydrowogonin 7-O-glucoside
C22H24O10 (448.13694039999996)
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
Poriolin
C22H24O10 (448.13694039999996)
8-C-beta-D-Glucopyranosylkaempferol
4,2,4-Trihydroxy-6-methoxychalcone 4-glucoside
C22H24O10 (448.13694039999996)
Quinquangulin 6-O-beta-D-glucopyranoside
C22H24O10 (448.13694039999996)
Hesperetin 7-O-rhamnoside
C22H24O10 (448.13694039999996)
6-C-Glucopyranosylkaempferol
Hypolaetin 8-rhamnoside
Homobutein 4-glucoside
C22H24O10 (448.13694039999996)
Isosakuranetin 5-O-glucoside
C22H24O10 (448.13694039999996)
6,7-Dihydroxy-5-methoxyflavanone 7-O-glucoside
C22H24O10 (448.13694039999996)
Homobutein 4-O-glucoside
C22H24O10 (448.13694039999996)
8-C-Galactosylluteolin
3-Hydroxy-3,5,6,7,8,4,5-heptamethoxyflavone
C22H24O10 (448.13694039999996)
5-Hydroxy-3,6,7,8,3,4,5-heptamethoxyflavone
C22H24O10 (448.13694039999996)
Aureusin
Carthamone
Dihydrokaempferide 7-rhamnoside
C22H24O10 (448.13694039999996)
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.
Neosakuranin
C22H24O10 (448.13694039999996)
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
5,6-dihydroxy-8-methoxy-2,7-dimethyl-4H-naphtho[2,3-b]pyran-4-one 6-O-beta-D-glucopyranoside|quinquangulin-6-O-beta-D-glucopyranoside
C22H24O10 (448.13694039999996)
Isocynarosid; 7-beta-D-Glucofuranosyloxy-3,4-5-trihydroxyflavon
2-(beta-D-glucopyranosyloxy>-8-hydroxy-3-methyl-9,10-anthraquinone
C22H24O10 (448.13694039999996)
(2S,3R,5R,6S)-2,3,5,6-tetrahydroxy-4-[2-(4-hydroxyphenyl)acetyl]oxycyclohexyl-2-(4-hydroxyphenyl)acetate
C22H24O10 (448.13694039999996)
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
melilotocarpan B 4-O-beta-D-glucopyranoside
C22H24O10 (448.13694039999996)
melilotocarpan B 8-O-beta-D-glucopyranoside
C22H24O10 (448.13694039999996)
(10S)10-C-beta-glucopyranosyl-1,8-dihydroxy-3-methyl-6-methoxy-9(10H)-anthracenone|patientoside B
C22H24O10 (448.13694039999996)
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
2,4,6-trihydroxy-4-methoxydihydrochalcone 2-O-beta-D-ribohexo-3-ulopyranoside|asebogenin 2-O-beta-D-ribohexo-3-ulopyranoside
C22H24O10 (448.13694039999996)
chrysoeriol 7beta-D-glucopyranoside
C22H24O10 (448.13694039999996)
1,2,6,8-tetrahydroxy-3-methylanthraquinone 1-O-beta-D-glucopyranoside
(S)-3-(4-beta-glucopyranosyloxybenzyl)-7-hydroxy-5-methoxyphthalide
C22H24O10 (448.13694039999996)
5-hydroxyimperatorin 5-O-beta-D-glucopyranoside
C22H24O10 (448.13694039999996)
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(6-O-acetyl)-beta-D-glucoside|(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-(6-O-acetyl)-glucoside|2,3,5,4-Tetrahydroxystilbene-2-O-(6-O-acetyl)-??-D-glucopyranoside
C22H24O10 (448.13694039999996)
3-O-beta-D-Glucopyranoside-1,3,5,8-Tetrahydroxy-2-methylanthraquinone
6,7,8-trihydroxy-2-(4-glucopyranosyl-phenyl)-4H-chromen-4-one
1,2-bis-O-(2-methoxybenzoyl)-beta-D-glucopyranoside
C22H24O10 (448.13694039999996)
5-(2-O-beta-D-Apiofuranosyl-beta-D-glucopyranosyl)oxy-2-hydroxybenzoic acid
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.
C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
C22H24O10 (448.13694039999996)
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]
Cys Cys His Ser
Cys Cys Ser His
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Cys Asp Pro Asp
Cys His Cys Ser
Cys His Ser Cys
Cys Pro Asp Asp
Cys Ser Cys His
Cys Ser His Cys
Asp Cys Asp Pro
Asp Cys Pro Asp
Asp Asp Cys Pro
Asp Asp Pro Cys
Asp Pro Cys Asp
Asp Pro Asp Cys
His Cys Cys Ser
His Cys Ser Cys
His Ser Cys Cys
Pro Cys Asp Asp
Pro Asp Cys Asp
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Ser Cys Cys His
Ser Cys His Cys
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GW 842166X
naringenin-4-O-glucuronide
Naringenin-7-O-glucuronide
7-Hydroxy-8-O-methylaloin B
C22H24O10 (448.13694039999996)
1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside
4'',5,5',7,7'-Pentahydroxyflavanone-(3,8)-chromone
Azaleatin 3-arabinoside
Piperenol C
C22H24O10 (448.13694039999996)
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)
Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P-dioxide
C15H31O9P3 (448.11808659999997)
PERFLUOROHEXYLETHYL DIMETHYLBUTYL ETHER
C14H17F13O (448.10717479999994)
2,6-diamino-7,9-dihydropurin-8-one,sulfuric acid,hydrate
DIPHENYL ((5-FLUORO-6-METHYLPYRIDIN-2-YL)(PHENYLAMINO)METHYL)PHOSPHONATE
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
(3,4-Dimethoxybenzyl)-triphenylphosphonium chloride
C27H26ClO2P (448.13588560000005)
4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide
(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-diphenyl-diindeno[7,1-de:1,7-fg][1,3,2]dioxaphosphocin-5-oxide
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
5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
2-(3,4-Dihydroxyphenyl)-8-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
4-(2,5-dioxo-1-pyrrolidinyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
C23H20N4O4S (448.12052000000006)
6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
3-(3,4-Dihydroxyphenyl)acrylic acid 2-(beta-D-glucopyranosyloxy)benzyl ester
C22H24O10 (448.13694039999996)
(3r,4s)-1-{6-[3-(Methylsulfonyl)phenyl]pyrimidin-4-Yl}-4-(2,4,5-Trifluorophenyl)pyrrolidin-3-Amine
C21H19F3N4O2S (448.11807500000003)
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-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
C22H24O10 (448.13694039999996)
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-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium
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.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoyl]oxyoxane-2-carboxylic acid
C22H24O10 (448.13694039999996)
(2R)-7-hydroxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
C22H24O10 (448.13694039999996)
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.
2-[(chloroacetyl)(3-chlorophenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
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.
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Alvaradoin N
C22H24O10 (448.13694039999996)
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
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.
2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
C19H24N6O3S2 (448.13512339999994)
2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thiourea
C22H26Cl2N4S (448.12551360000003)
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-{[(4E)-4-(4-methoxybenzylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]thio}-N-(5-methylisoxazol-3-yl)acetamide
C23H20N4O4S (448.12052000000006)
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
1-[(4-Fluorophenyl)-oxomethyl]-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-2-azepanone
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide
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
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.
(1S,2aR,8bR)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C24H21ClN4O3 (448.13021060000005)
(1R,2aR,8bR)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C24H21ClN4O3 (448.13021060000005)
(1R,2aS,8bS)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C24H21ClN4O3 (448.13021060000005)
(1S,2aS,8bS)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C24H21ClN4O3 (448.13021060000005)
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.
(Z)-2-Cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
(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
(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
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(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
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide
2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione
Aromadendrin 4-methyl ether 7-rhamnoside
C22H24O10 (448.13694039999996)
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].
VU6012962
C21H19F3N4O4 (448.13583300000005)
VU6012962 is an orally bioavailable and CNS-penetrant metabotropic glutamate receptor 7 negative allosteric modulator (mGlu7 NAM) with an IC50 of 347 nM[1].