Exact Mass: 354.0879
Exact Mass Matches: 354.0879
Found 246 metabolites which its exact mass value is equals to given mass value 354.0879,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Neochlorogenic acid
Constituent of coffee and many other plants. First isolated from peaches (Prunus persica). trans-Neochlorogenic acid is found in coffee and coffee products, fruits, and pear. [Raw Data] CBA73_Neochlorogenic-_neg_50eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_20eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_40eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_20eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_10eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_50eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_40eV.txt [Raw Data] CBA73_Neochlorogenic-_neg_30eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_10eV.txt [Raw Data] CBA73_Neochlorogenic-_pos_30eV.txt Neochlorogenic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=906-33-2 (retrieved 2024-07-17) (CAS RN: 906-33-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
Chlorogenic acid
Chlorogenic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. It has a role as a plant metabolite and a food component. It is a cinnamate ester and a tannin. It is functionally related to a (-)-quinic acid and a trans-caffeic acid. It is a conjugate acid of a chlorogenate. Chlorogenic Acid has been used in trials studying the treatment of Advanced Cancer and Impaired Glucose Tolerance. Chlorogenic Acid is a natural product found in Pavetta indica, Fragaria nipponica, and other organisms with data available. Chlorogenic Acid is a polyphenol and the ester of caffeic acid and quinic acid that is found in coffee and black tea, with potential antioxidant and chemopreventive activities. Chlorogenic acid scavenges free radicals, which inhibits DNA damage and may protect against the induction of carcinogenesis. In addition, this agent may upregulate the expression of genes involved in the activation of the immune system and enhances activation and proliferation of cytotoxic T-lymphocytes, macrophages, and natural killer cells. Chlorogenic acid also inhibits the activity of matrix metalloproteinases. A naturally occurring phenolic acid which is a carcinogenic inhibitor. It has also been shown to prevent paraquat-induced oxidative stress in rats. (From J Chromatogr A 1996;741(2):223-31; Biosci Biotechnol Biochem 1996;60(5):765-68). See also: Arctium lappa Root (part of); Cynara scolymus leaf (part of); Lonicera japonica flower (part of) ... View More ... Chlorogenic acid is an ester of caffeic acid and quinic acid. Chlorogenic acid is the major polyphenolic compound in coffee, isolated from the leaves and fruits of dicotyledonous plants. This compound, long known as an antioxidant, also slows the release of glucose into the bloodstream after a meal. Coffee is a complex mixture of chemicals that provides significant amounts of chlorogenic acid. The chlorogenic acid content of a 200 ml (7-oz) cup of coffee has been reported to range from 70-350 mg, which would provide about 35-175 mg of caffeic acid. The results of epidemiological research suggest that coffee consumption may help prevent several chronic diseases, including type 2 diabetes mellitus, Parkinsons disease and liver disease (cirrhosis and hepatocellular carcinoma). Most prospective cohort studies have not found coffee consumption to be associated with significantly increased cardiovascular disease risk. However, coffee consumption is associated with increases in several cardiovascular disease risk factors, including blood pressure and plasma homocysteine. At present, there is little evidence that coffee consumption increases the risk of cancer. (PMID:16507475, 17368041). A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. [Raw Data] CBA08_Chlorogenic-aci_pos_10eV_1-1_01_209.txt [Raw Data] CBA08_Chlorogenic-aci_neg_30eV_1-1_01_218.txt [Raw Data] CBA08_Chlorogenic-aci_neg_20eV_1-1_01_217.txt [Raw Data] CBA08_Chlorogenic-aci_pos_30eV_1-1_01_211.txt [Raw Data] CBA08_Chlorogenic-aci_neg_40eV_1-1_01_219.txt [Raw Data] CBA08_Chlorogenic-aci_pos_20eV_1-1_01_210.txt [Raw Data] CBA08_Chlorogenic-aci_pos_50eV_1-1_01_213.txt [Raw Data] CBA08_Chlorogenic-aci_neg_50eV_1-1_01_220.txt [Raw Data] CBA08_Chlorogenic-aci_neg_10eV_1-1_01_216.txt [Raw Data] CBA08_Chlorogenic-aci_pos_40eV_1-1_01_212.txt Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
Scopolin
Scopolin is a member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a monosaccharide derivative, a member of coumarins and a beta-D-glucoside. It is functionally related to a scopoletin. Scopolin is a natural product found in Artemisia ordosica, Astragalus onobrychis, and other organisms with data available. See also: Chamaemelum nobile flower (part of). A member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2].
[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine
Biflorin
Biflorin is an o-naphthoquinone isolated from Capraria biflora L. (Scrophulariaceae, a perennial shrub widely distributed in several countries of tropical America). Biflorin has cytotoxic and antioxidant potential, strongly inhibiting the growth of five tested tumor cell lines, especially the skin, breast and colon cancer cells with IC50 of 0.40, 0.43 and 0.88 micro/ml for B16, MCF-7 and HCT-8, respectively, while the antioxidant activity was assayed against autoxidation of oleic acid in a water/alcohol system. (PMID: 16042338). Constituent of Eugenia caryophyllata (clove)
Neochlorogenic_acid
Trans-5-O-caffeoyl-D-quinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. It has a role as a plant metabolite. It is a cyclitol carboxylic acid and a cinnamate ester. It is functionally related to a (-)-quinic acid and a trans-caffeic acid. It is a conjugate acid of a trans-5-O-caffeoyl-D-quinate. Neochlorogenic acid is a natural product found in Eupatorium perfoliatum, Centaurea bracteata, and other organisms with data available. See also: Lonicera japonica flower (part of); Stevia rebaudiuna Leaf (has part); Moringa oleifera leaf (part of). A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
Cryptochlorogenic acid
Constituent of coffee and sunflowers. Cryptochlorogenic acid is found in many foods, some of which are arabica coffee, highbush blueberry, cereals and cereal products, and robusta coffee. Cryptochlorogenic acid is found in apple. Cryptochlorogenic acid is a constituent of coffee and sunflowers Cryptochlorogenic acid is a natural product. Cryptochlorogenic acid (4-Caffeoylquinic acid) is a naturally occurring phenolic acid compound with oral effectiveness, anti-inflammatory, antioxidant and anti-cardiac hypertrophy effects. Alleviating LPS (HY-D1056) and ISO (HY-B0468) by regulating proinflammatory factor expression, inhibiting NF-κB activity, promoting Nrf2 nuclear transfer, and regulating PI3Kα/Akt/ mTOR / HIF-1α signaling pathway Induced physiological stress response[1][2][3]. Cryptochlorogenic acid is a natural product.
1-O-Caffeoylquinic acid
1-O-Caffeoylquinic acid is found in coffee and coffee products. 1-O-Caffeoylquinic acid is a constituent of coffee 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3]. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].
Niazidin
Constituent of the fresh pods of Moringa oleifera (horseradish tree). Niazidin is found in fats and oils, herbs and spices, and green vegetables. Niazidin is a glycoside that has been isolated from the fresh pods of Moringa oleifera (horseradish tree). Niazidin is found in fats and oils.
Isobiflorin
Constituent of Syzygium aromaticum (clove). Isobiflorin is found in herbs and spices and cloves. Isobiflorin is found in cloves. Isobiflorin is a constituent of Syzygium aromaticum (clove).
Cis-5-Caffeoylquinic acid
Cis-5-Caffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313) A polyphenol compound found in foods of plant origin (PhenolExplorer). Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
trans-Chlorogenic acid
3-O-Caffeoyl-muco-quinic acid is found in fruits. 3-O-Caffeoyl-muco-quinic acid is a constituent of Asimina triloba (pawpaw). Constituent of Asimina triloba (pawpaw). 3-O-Caffeoyl-muco-quinic acid is found in fruits.
5Z-Caffeoylquinic acid
Trans-neochlorogenic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Trans-neochlorogenic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Trans-neochlorogenic acid can be found in coffee and coffee products, fruits, and pear, which makes trans-neochlorogenic acid a potential biomarker for the consumption of these food products. 5Z-Caffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313).
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
1-Methyl-3-{2-[(1-methyl-1H-benzimidazol-2-yl)thio]ethyl}-1,3-dihydro-2H-benzimidazole-2-thione
Glucose lactate pyruvate
Glucose pyruvate lactate
Scopolin
Scopolin is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Scopolin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Scopolin can be found in a number of food items such as sweet potato, oat, wild celery, and potato, which makes scopolin a potential biomarker for the consumption of these food products. Scopolin is a glucoside of scopoletin formed by the action of the enzyme scopoletin glucosyltransferase . Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2]. Scopolin is a coumarin isolated from Arabidopsis thaliana (Arabidopsis) roots[1]. Scopolin attenuated hepatic steatosis through activation of SIRT1-mediated signaling cascades[2].
1-Caffeoylquinic acid
1-Cqa
1-O-caffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of (-)-quinic acid. It has a role as a Camellia sinensis metabolite, a NF-kappaB inhibitor, an antineoplastic agent and an antioxidant. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid. It derives from a hydride of a (-)-quinic acid. 1-Caffeoylquinic acid is a natural product found in Lonicera japonica, Erigeron breviscapus, and Embelia schimperi with data available. An alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of (-)-quinic acid. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3]. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].
4-Cqa
4-O-trans-caffeoylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. It has a role as a metabolite and a hepatoprotective agent. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a (+)-quinic acid and a trans-caffeic acid. Cryptochlorogenic acid is a natural product found in Withania somnifera, Coffea arabica, and other organisms with data available. A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. Cryptochlorogenic acid is a natural product. Cryptochlorogenic acid (4-Caffeoylquinic acid) is a naturally occurring phenolic acid compound with oral effectiveness, anti-inflammatory, antioxidant and anti-cardiac hypertrophy effects. Alleviating LPS (HY-D1056) and ISO (HY-B0468) by regulating proinflammatory factor expression, inhibiting NF-κB activity, promoting Nrf2 nuclear transfer, and regulating PI3Kα/Akt/ mTOR / HIF-1α signaling pathway Induced physiological stress response[1][2][3]. Cryptochlorogenic acid is a natural product.
Isochlorogenic acid
Chlorogenic Acid
IPB_RECORD: 1901; CONFIDENCE confident structure Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
1-Deoxy-1-(2,8,8-trioxo-2,4,6,7,8-hexahydro-1H-imidazolo<4,5-g>pteridin-4-yl)-D-ribitol|Russupteridin-gelb IV
5,7-dihydroxy-3-methylchromone-7-O-beta-D-glucoside|takanechromone A
7-hydroxy-5-methyl-2-oxo-2H-chromen-4-yl beta-D-glucopyranoside|7-hydroxy-5-methylcoumarin-4-yl beta-D-glucopyranoside|hastatuside A
8-O-??-D-Glucopyranosyl-6-hydroxy-2-methyl-4H-1-benzopyran-4-one
noreugenin 7-O-beta-D-glucoside|schumanniofioside A
8-O-beta-D-glucopyranosyl-6-hydroxy-2-methyl-4H-1-benzopyran-4-one
Magnolioside
Magnolioside is a member of coumarins and a glycoside. Magnolioside is a natural product found in Olea capensis, Pelargonium sidoides, and other organisms with data available. Magnolioside, isolated from Angelica gigas Nakai (Umbelliferae), exhibits significant neuroprotective activities against glutamate-induced toxicity[1].
Cryptochlorogenic acid
Cryptochlorogenic acid is a natural product. Cryptochlorogenic acid (4-Caffeoylquinic acid) is a naturally occurring phenolic acid compound with oral effectiveness, anti-inflammatory, antioxidant and anti-cardiac hypertrophy effects. Alleviating LPS (HY-D1056) and ISO (HY-B0468) by regulating proinflammatory factor expression, inhibiting NF-κB activity, promoting Nrf2 nuclear transfer, and regulating PI3Kα/Akt/ mTOR / HIF-1α signaling pathway Induced physiological stress response[1][2][3]. Cryptochlorogenic acid is a natural product.
5-hydroxy-2-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(3R,5S)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Neochlorogenic acid
Neochlorogenic acid, also known as neochlorogenate or 3-O-caffeoylquinic acid, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Neochlorogenic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Neochlorogenic acid can be found in a number of food items such as quince, chicory, white cabbage, and grape wine, which makes neochlorogenic acid a potential biomarker for the consumption of these food products. Neochlorogenic acid is a natural polyphenolic compound found in some types of dried fruits and a variety of other plant sources such as peaches. It is an isomer of chlorogenic acid . Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation. Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
Cyclohexanecarboxylicacid
1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3]. 1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].
(1r,3R,4s,5S)-4-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Caffeoyl quinic acid (isomer of 832, 833, 834)
Annotation level-2
Caffeoyl quinic acid (isomer of 831, 833, 834)
Annotation level-2
Caffeoyl quinic acid (isomer of 831, 832, 834)
Annotation level-2
Caffeoyl quinic acid (isomer of 831, 832, 833)
Annotation level-2
5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid_major
Cis-5-Caffeoylquinic acid
trans-Chlorogenic acid
5Z-Caffeoylquinic acid
CYCLOHEXANECARBOXYLIC ACID
2-[[4-(2-Pyridylsulfamoyl)phenyl]azo]hydroxybenzene
1-BOC-3-[(2-BROMOPHENYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(3-BROMOPHENYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(4-BROMOPHENYL-AMINO)-METHYL]-PYRROLIDINE
N-(TERT-BUTYL)-3-((2-CHLORO-5-METHYLPYRIMIDIN-4-YL)AMINO)BENZENESULFONAMIDE
tert-Butyl 4-(4-bromobenzyl)piperazine-1-carboxylate
tert-butyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
3-(2-BROMO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-BROMO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-AMINO-4-(4-BROMO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-Amino-4-(3-bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
TERT-BUTYL 4-(3-BROMOBENZYL)PIPERAZINE-1-CARBOXYLATE
tert-butyl 4-(4-bromoanilino)piperidine-1-carboxylate
N-(3-chloro-4-methylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide
(3R,5S)-4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Heriguard
Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb. It is an orally active antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension compound[1][2][3]. Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
3-hydroxy-2-(1,2,2-trihydroxyethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one
2-Hydroxypropanoyl 2-oxo-3-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate
2-Oxopropanoyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propaneperoxoate
(2S,5R)-7-chloro-3,4,6-trimethoxy-5-methylspiro[benzofuran-2,4-cyclohexane]-1,3-dione
4-[[1-(2-Furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzamide
N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide
O-cyano N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate
(1S,3S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(1R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
6-[(2Z)-2-carboxy-2-(phenylmethylidene)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxy-2-propan-2-ylbutanedioic acid
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester
(3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid
5-O-cis-caffeoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with the 5-hydroxy group of (+)-quinic acid.
Olutasidenib
Olutasidenib (FT-2102) is a highly potent, orally active, brain penetrant and selective inhibitor of mutant Isocitrate dehydrogenase 1 (IDH1), with IC50 values of 21.2 nM and 114 nM for IDH1- R132H and IDH1- R132C, respectively . Olutasidenib (FT-2102) is under the study in the treatment of acute myeloid leukemia (AML) or myelodysplastic syndrome (MDS) [1][2].
SJM-3
SJM-3 is a positive allosteric modulator of different isoforms of the GABAA receptor. SJM-3 binds at the high-affinity benzodiazepine binding site at the α+/γ- subunit interface[1].
(1s,3s,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-4-methoxy-4-oxobutanoic acid
7-hydroxy-5-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
3-[(6-carboxy-3,4-dihydroxyoxan-2-yl)oxy]-4,5,6-trihydroxyoxane-2-carboxylic acid
1-(7-bromo-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl)hex-3-en-5-yn-1-yl acetate
6-hydroxy-2-methyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1r,3r,4r,5r)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid
(1r,2s,3s,4ar,9as)-1,2,3,4a,8,9a-hexahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
5-hydroxy-3-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-methyl-8-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
1-(cyanooxy)-n-[(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methanimidothioic acid
(2r,3r,5r)-5-[(1s,3e)-1-bromohex-3-en-1-yl]-2-[(2z)-pent-2-en-4-yn-1-yl]oxolan-3-yl acetate
(16s,17s,18r)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]nonadeca-1(19),2(10),4,6,8,11,14-heptaen-3-one
(1r,3r,4r,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
6-methoxy-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
1,3-caffeoylquinic acid
{"Ingredient_id": "HBIN001150","Ingredient_name": "1,3-caffeoylquinic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[3-4] Chlorogenic acid
{"Ingredient_id": "HBIN007329","Ingredient_name": "[3-4] Chlorogenic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34260","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Ⅰ,3- O- Caffeoylquinic acid
{"Ingredient_id": "HBIN009283","Ingredient_name": "\u2160,3- O- Caffeoylquinic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40895","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-caffeoyl-d-quinic acide
{"Ingredient_id": "HBIN010756","Ingredient_name": "4-o-caffeoyl-d-quinic acide","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30710","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4- O- caffeoylquinic acid)
{"Ingredient_id": "HBIN010758","Ingredient_name": "4- O- caffeoylquinic acid)","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40095","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-caffeoylquinic acid
{"Ingredient_id": "HBIN011483","Ingredient_name": "5-caffeoylquinic acid","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","Ingredient_weight": "354.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12310830","DrugBank_id": "NA"}
8-o-β-d-glucopyranosyl-6-hydroxy-2-methyl-4h-1-benzopyran-4-one
{"Ingredient_id": "HBIN013850","Ingredient_name": "8-o-\u03b2-d-glucopyranosyl-6-hydroxy-2-methyl-4h-1-benzopyran-4-one","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8672","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α- glucosidase inhibitor
{"Ingredient_id": "HBIN015530","Ingredient_name": "\u03b1- glucosidase inhibitor","Alias": "NA","Ingredient_formula": "C16H18O9","Ingredient_Smile": "CC1=CC(=O)C2=C(C(=C(C=C2O1)O)C3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33036","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
