Exact Mass: 516.137
Exact Mass Matches: 516.137
Found 411 metabolites which its exact mass value is equals to given mass value 516.137,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rottlerin
Rottlerin is a chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. It has a role as an antineoplastic agent, an apoptosis inducer, a metabolite, a K-ATP channel agonist, an antihypertensive agent and an anti-allergic agent. It is an enone, a chromenol, a benzenetriol, a methyl ketone and an aromatic ketone. Rottlerin is a natural product found in Mallotus philippensis with data available. A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 1.546 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.549 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.548 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.550 Rottlerin, a natural product purified from Mallotus Philippinensis, is a specific PKC inhibitor, with IC50 values for PKCδ of 3-6 μM, PKCα,β,γ of 30-42 μM, PKCε,η,ζ of 80-100 μM. Rottlerin acts as a direct mitochondrial uncoupler, and stimulates autophagy by targeting a signaling cascade upstream of mTORC1. Rottlerin induces apoptosis via caspase 3 activation[1][2][3]. Rottlerin inhibits HIV-1 integration and Rabies virus (RABV) infection[4][5]. Rottlerin, a natural product purified from Mallotus Philippinensis, is a specific PKC inhibitor, with IC50 values for PKCδ of 3-6 μM, PKCα,β,γ of 30-42 μM, PKCε,η,ζ of 80-100 μM. Rottlerin acts as a direct mitochondrial uncoupler, and stimulates autophagy by targeting a signaling cascade upstream of mTORC1. Rottlerin induces apoptosis via caspase 3 activation[1][2][3]. Rottlerin inhibits HIV-1 integration and Rabies virus (RABV) infection[4][5].
3,4-Di-O-caffeoylquinic acid
Isolated from coffee and maté. 3,4-Dicaffeoylquinic acid is found in many foods, some of which are robusta coffee, arabica coffee, coffee, and coffee and coffee products. 3,4-Di-O-caffeoylquinic acid is found in arabica coffee. 3,4-Di-O-caffeoylquinic acid is isolated from coffe 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3].
Formononetin 7-(6'-malonylglucoside)
Isolated from leaves of Trifolium pratense (red clover). Formononetin 7-(6-malonylglucoside) is found in many foods, some of which are herbs and spices, chickpea, pulses, and tea. Formononetin 7-(6-malonylglucoside) is found in chickpea. Formononetin 7-(6-malonylglucoside) is isolated from leaves of Trifolium pratense (red clover
1,5-Dicaffeoylquinic acid
Cynarine is a hydroxycinnamic acid and a biologically active chemical constituent of artichoke. Chemically, it is an ester formed from quinic acid and two units of caffeic acid. 1,5-Dicaffeoylquinic acid is found in cardoon, globe artichoke, and fennel. 1,5-Dicaffeoylquinic acid is found in cardoon. Cynarine is a hydroxycinnamic acid and a biologically active chemical constituent of artichoke. Chemically, it is an ester formed from quinic acid and two units of caffeic acid. (Wikipedia C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics [Raw Data] CBA70_Cynarin_neg_30eV.txt [Raw Data] CBA70_Cynarin_neg_20eV.txt [Raw Data] CBA70_Cynarin_pos_30eV.txt [Raw Data] CBA70_Cynarin_neg_50eV.txt [Raw Data] CBA70_Cynarin_pos_20eV.txt [Raw Data] CBA70_Cynarin_neg_40eV.txt [Raw Data] CBA70_Cynarin_neg_10eV.txt [Raw Data] CBA70_Cynarin_pos_10eV.txt [Raw Data] CBA70_Cynarin_pos_40eV.txt [Raw Data] CBA70_Cynarin_pos_50eV.txt Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities. Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities.
Dexamethasone Sodium Phosphate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Ixazomib Citrate
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D000970 - Antineoplastic Agents C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Carindacillin sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01283
4,5-Di-O-caffeoylquinic acid
4,5-di-O-caffeoylquinic acid is a quinic acid. 4,5-Dicaffeoylquinic acid is a natural product found in Centaurea bracteata, Strychnos axillaris, and other organisms with data available. See also: Lonicera japonica flower (part of); Stevia rebaudiuna Leaf (part of). Isolated from coffee, Brazilian propolis and maté. 4,5-Di-O-caffeoylquinic acid is found in many foods, some of which are carrot, robusta coffee, coffee, and coffee and coffee products. 4,5-Di-O-caffeoylquinic acid is found in arabica coffee. 4,5-Di-O-caffeoylquinic acid is isolated from coffee and Brazilian propoli 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 4,5-Dicaffeoylquinic acid (Isochlorogenic acid C) is an antioxidant, can be isolated from Gynura divaricata and Laggera alata. 4,5-Dicaffeoylquinic acid reduces islet cell apoptosis and improves pancreatic function in type 2 diabetic mice, and has obvious inhibitory activities against yeast α-glucosidase. 4,5-Dicaffeoylquinic acid inhibits prostate cancer cells through cell cycle arrest. 4,5-Dicaffeoylquinic acid also has anti-apoptotic, anti-injury and anti-hepatitis B virus effects[1][2][3]. 4,5-Dicaffeoylquinic acid (Isochlorogenic acid C) is an antioxidant, can be isolated from Gynura divaricata and Laggera alata. 4,5-Dicaffeoylquinic acid reduces islet cell apoptosis and improves pancreatic function in type 2 diabetic mice, and has obvious inhibitory activities against yeast α-glucosidase. 4,5-Dicaffeoylquinic acid inhibits prostate cancer cells through cell cycle arrest. 4,5-Dicaffeoylquinic acid also has anti-apoptotic, anti-injury and anti-hepatitis B virus effects[1][2][3].
1,3-Dicaffeoylquinic acid
1,3-Dicaffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313) D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities. Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities.
1,4-Di-O-caffeoylquinic acid
1,4-Di-O-caffeoylquinic acid is found in herbs and spices. 1,4-Di-O-caffeoylquinic acid is isolated from flowers and leaves of Helichrysum italicum (curry plant Isolated from flowers and leaves of Helichrysum italicum (curry plant). 1,4-Di-O-caffeoylquinic acid is found in tea and herbs and spices. 1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1]. 1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1].
Dicaffeoylquinic acid
Isolated from coffee and maté, globe artichoke (Cynara scolymus) and caucasian whortleberry (Vaccinium arctostaphylos). 3,5-Di-O-caffeoylquinic acid is found in many foods, some of which are potato, green vegetables, coffee and coffee products, and carrot. Dicaffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313) Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities . Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities .
b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose
b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose is found in coffee and coffee products. b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose is isolated from the partial acid hydrolsates of the mucilage of Abelmoschus manihot (aibika) and Okra mucilage R in fruits and roots of Abelmoschus esculentus. Isolated from the partial acid hydrolsates of the mucilage of Abelmoschus manihot (aibika) and Okra mucilage R in fruits and roots of Abelmoschus esculentus. b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose is found in many foods, some of which are coffee and coffee products, fruits, fats and oils, and green vegetables.
3',4'-Diacetylafzelin
3,4-Diacetylafzelin is found in herbs and spices. 3,4-Diacetylafzelin is a constituent of Zingiber zerumbet (wild ginger). Constituent of Zingiber zerumbet (wild ginger). 3,4-Diacetylafzelin is found in herbs and spices. SL 0101-1 (SL0101), a kaempferol glycoside, isolated from the tropical plant F. refracta, is a cell-permeable, selective, reversible, ATP-competitive p90 Ribosomal S6 Kinase (RSK) inhibitor, with an IC50 of 89 nM[1]. SL 0101-1 (SL0101) is a selective RSK1/2 inhibitor, with a Ki of 1 μM[2]. SL 0101-1 (SL0101), a kaempferol glycoside, isolated from the tropical plant F. refracta, is a cell-permeable, selective, reversible, ATP-competitive p90 Ribosomal S6 Kinase (RSK) inhibitor, with an IC50 of 89 nM[1]. SL 0101-1 (SL0101) is a selective RSK1/2 inhibitor, with a Ki of 1 μM[2].
Luteone 7-glucoside
Luteone 7-glucoside is found in pulses. Luteone 7-glucoside is isolated from the roots of Lupinus albus (white lupin). Isolated from the roots of Lupinus albus (white lupin). Luteone 7-glucoside is found in pulses and white lupine.
2',4'-Diacetylafzelin
2,4-Diacetylafzelin is found in herbs and spices. 2,4-Diacetylafzelin is a constituent of Zingiber zerumbet (wild ginger). Constituent of Zingiber zerumbet (wild ginger). 2,4-Diacetylafzelin is found in herbs and spices.
2',3'-Diacetylcosmosiin
2,3-Diacetylcosmosiin is found in german camomile. 2,3-Diacetylcosmosiin is isolated from Matricaria chamomilla (German chamomile). Isolated from Matricaria chamomilla (German chamomile). 2,3-Diacetylcosmosiin is found in german camomile and herbs and spices.
Cyclocalopin D
Cyclocalopin D is found in mushrooms. Cyclocalopin D is isolated from Boletus calopus and other Boletus species. Isolated from Boletus calopus and other Boletus subspecies Cyclocalopin D is found in mushrooms.
3',4'-Diacetylcosmosiin
3,4-Diacetylcosmosiin is found in german camomile. 3,4-Diacetylcosmosiin is isolated from Matricaria chamomilla (German chamomile). Isolated from Matricaria chamomilla (German chamomile). 3,4-Diacetylcosmosiin is found in german camomile and herbs and spices.
((2R,3S,4S,5R,6S)-6-(2-(3-(Benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate
(1R)-1,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
1-[6-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one
Isochlorogenic acid b
4,5-Dicaffeoylquinic acid
3,4-Di-O-caffeoylquinic acid
Isochlorogenic acid b is a quinic acid. 3,4-Dicaffeoylquinic acid is a natural product found in Centaurea bracteata, Strychnos axillaris, and other organisms with data available. See also: Lonicera japonica flower (part of); Stevia rebaudiuna Leaf (part of). Isolated from coffee and maté. 3,4-Dicaffeoylquinic acid is found in many foods, some of which are robusta coffee, arabica coffee, coffee, and coffee and coffee products. 3,4-Di-O-caffeoylquinic acid is found in arabica coffee. 3,4-Di-O-caffeoylquinic acid is isolated from coffe 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3].
1,5-Dicaffeoylquinic acid
1,3-dicaffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 1 and 3 of ()-quinic acid with two molecules of trans-caffeic acid. It has a role as a plant metabolite. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid and a (-)-quinic acid. It is a conjugate acid of a 1,3-dicaffeoylquinate. Cynarine is a natural product found in Saussurea involucrata, Helichrysum italicum, and other organisms with data available. See also: Cynara scolymus leaf (part of). Cynarine is a hydroxycinnamic acid and a biologically active chemical constituent of artichoke. Chemically, it is an ester formed from quinic acid and two units of caffeic acid. 1,5-Dicaffeoylquinic acid is found in cardoon, globe artichoke, and fennel. 1,5-Dicaffeoylquinic acid is found in cardoon. Cynarine is a hydroxycinnamic acid and a biologically active chemical constituent of artichoke. Chemically, it is an ester formed from quinic acid and two units of caffeic acid. (Wikipedia An alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 1 and 3 of ()-quinic acid with two molecules of trans-caffeic acid. C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities. Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities.
3,5-CQA
3,5-di-O-caffeoyl quinic acid is a carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. It has a role as a metabolite, a hepatoprotective agent and an antineoplastic agent. It is a cyclitol carboxylic acid and a carboxylic ester. It is functionally related to a (-)-quinic acid and a trans-caffeic acid. Isochlorogenic acid A is a natural product found in Psiadia viscosa, Dipsacus inermis, and other organisms with data available. A carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents 3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1]. 3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1]. Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities . Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities .
3,4-Di-O-caffeoylquinic acid
Isochlorogenic acid b is a quinic acid. 3,4-Dicaffeoylquinic acid is a natural product found in Centaurea bracteata, Strychnos axillaris, and other organisms with data available. See also: Lonicera japonica flower (part of); Stevia rebaudiuna Leaf (part of). Isolated from coffee and maté. 3,4-Dicaffeoylquinic acid is found in many foods, some of which are robusta coffee, arabica coffee, coffee, and coffee and coffee products. 3,4-Di-O-caffeoylquinic acid is found in arabica coffee. 3,4-Di-O-caffeoylquinic acid is isolated from coffe 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3].
Epimedoside C
3,5-Caffeoyl quinic acid
3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1]. 3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1].
Apigenin 7-(2,3-diacetylglucoside)
7-(O6-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-6-methoxy-coumarin|7-(O6-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-6-methoxy-cumarin|scopoletin beta-gentiobioside
3,4,5,6-Tetra-Me ether,tri-Ac-3,3,4,5,5,6,7-Heptahydroxyflavone
4,6,7,8-Tetra-Me ether,Tri-Ac-3,4,5,5,6,7,8-Heptahdroxyflavone|4,6,7,8-Tetra-Me ether,Tri-Ac-3,4,5,5,6,7,8-Heptahydroxyflavone
Kaempferol-3-O-(2,3-di-O-acetyl-??-L-rhamnopyranoside)
5alpha,6beta,7beta,8alpha-tetraacetoxy-2-<2-(4-methoxyphenyl)ethyl>-5,6,7,8-tetrahydrochromone|5alpha,6beta,7beta,8alpha-tetraacetoxy-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrochromone|5??,6??,7??,8??-Tetraacetoxy-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-chromone
4,5,6,8-Tetra-Me ether,Tri-Ac-3,4,5,5,6,7,8-Heptahydroxyflavone|4,5,6,8-Tetra-Me ether-3,4,5,5,6,7,8-Heptahdroxyflavone
6-gamma,gamma-dimethylallylkaempferol 7-O-beta-D-glucoside
5,7,3,4-tetrahydroxy-5-C-prenylflavone 7-O-beta-D-glucopyranoside
alpha-L-Rhap-(1 -> 4)-beta-D-GlcpA-(1 -> 6)-alphabeta-D-Galp
7-(beta-D-glucopyranosyloxy)-5-[(2-oxo-2H-1-benzopyran-8-yl)oxy]-7,8-dihydroxy-2H-1-benzopyran-2-one|daphgilin-7-O-beta-D-glucopyranoside
4-O-(3-O-alpha-D-glucopyranosyl)caffeoylquinic acid
4-O-(4-O-alpha-D-glucopyranosyl)caffeoylquinic acid
21-oxo-23S-hydroxy-21,23-dihydroevodol|euodirutaecin A
23-oxo-21S-hydroxy-21,23-dihydroevodol|evodirutaenin A
5,4-dihydroxy-7-O-beta-D-pyranglycuronate butyl ester
(3a,6a-cis)-3-(3,5-dihydroxyphenyl)-4-(3,5-dihydroxy-E-styryl)-6a-hydroxy-2-(3,4,5-trihydroxyphenyl)pentalene-1,6(3aH,6aH)-dione|syagrusin B
O-(D-Galaktopyranosyluronsaeure)-(1->4)-O-(D-galactopyranosyluronsaeure)-(1->2)-L-rhamnose|O-alpha-4-D-Galacturonosyl-(1->4)-O-alpha-D-galacturonosyl-(1->2)-O-L-rhamnose
O-(beta-D-Glucopyranosyluronsaeure)-(1->3)-O-(alpha-D-galactopyranosyluronsaeure)-(1->3)-L-rhamnose
SL 0101-1
5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4h-Chromen-3-Yl 3,4-Di-O-Acetyl-6-Deoxy-Alpha-L-Mannopyranoside is a natural product found in Zingiber spectabile, Zingiber zerumbet, and Zingiber officinale with data available. SL 0101-1 (SL0101), a kaempferol glycoside, isolated from the tropical plant F. refracta, is a cell-permeable, selective, reversible, ATP-competitive p90 Ribosomal S6 Kinase (RSK) inhibitor, with an IC50 of 89 nM[1]. SL 0101-1 (SL0101) is a selective RSK1/2 inhibitor, with a Ki of 1 μM[2]. SL 0101-1 (SL0101), a kaempferol glycoside, isolated from the tropical plant F. refracta, is a cell-permeable, selective, reversible, ATP-competitive p90 Ribosomal S6 Kinase (RSK) inhibitor, with an IC50 of 89 nM[1]. SL 0101-1 (SL0101) is a selective RSK1/2 inhibitor, with a Ki of 1 μM[2].
cynarin
1,4-Di-O-caffeoylquinic acid is a quinic acid. 1,4-Dicaffeoylquinic acid is a natural product found in Urospermum dalechampii, Helminthotheca echioides, and other organisms with data available. Annotation level-1 1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1]. 1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1]. Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities. Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities.
5-O-(3-O-Glucosylcaffeoyl)quinic acid
Mitoxantrone hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
3,5-Dicaffeoylquininic acid
3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1]. 3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1].
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate
(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
1,3-Dicaffeoylquinic acid
1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity. 1,3-Dicaffeoylquinic acid is a caffeoylquinic acid derivative that exhibits antioxidant activity and radical scavenging activity.
Isochlorogenic acid C
4,5-Dicaffeoylquinic acid (Isochlorogenic acid C) is an antioxidant, can be isolated from Gynura divaricata and Laggera alata. 4,5-Dicaffeoylquinic acid reduces islet cell apoptosis and improves pancreatic function in type 2 diabetic mice, and has obvious inhibitory activities against yeast α-glucosidase. 4,5-Dicaffeoylquinic acid inhibits prostate cancer cells through cell cycle arrest. 4,5-Dicaffeoylquinic acid also has anti-apoptotic, anti-injury and anti-hepatitis B virus effects[1][2][3]. 4,5-Dicaffeoylquinic acid (Isochlorogenic acid C) is an antioxidant, can be isolated from Gynura divaricata and Laggera alata. 4,5-Dicaffeoylquinic acid reduces islet cell apoptosis and improves pancreatic function in type 2 diabetic mice, and has obvious inhibitory activities against yeast α-glucosidase. 4,5-Dicaffeoylquinic acid inhibits prostate cancer cells through cell cycle arrest. 4,5-Dicaffeoylquinic acid also has anti-apoptotic, anti-injury and anti-hepatitis B virus effects[1][2][3].
Isochlorogenic acid A
Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities . Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities .
isochlorogenic acid B
3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3].
3,5-O-dicaffeoylquinic acid
3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1]. 3,5-O-Dicaffeoylquinic acid reverses Trimethyltin-induced learning and memory deficits[1].
(1S,3R,4S,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid
Isoflavone base + 1O, 1MeO, O-MalonylHex
Annotation level-3
Isoflavone base + 1O + 1MeO, O-MalonylHex
Annotation level-3
(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid [IIN-based on: CCMSLIB00000847509]
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate [IIN-based on: CCMSLIB00000847426]
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate [IIN-based: Match]
(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid [IIN-based: Match]
(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid [IIN-based: Match]
(1S,3R,4S,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid_minor
(1S,3R,4S,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid_major
Cys Cys Glu Tyr
Cys Cys Tyr Glu
Cys Glu Cys Tyr
Cys Glu Glu His
Cys Glu His Glu
Cys Glu Tyr Cys
Cys His Glu Glu
Cys Met Thr Tyr
Cys Met Tyr Thr
Cys Thr Met Tyr
Cys Thr Tyr Met
Cys Tyr Cys Glu
Cys Tyr Glu Cys
Cys Tyr Met Thr
Cys Tyr Thr Met
Asp Asp His Met
Asp Asp Met His
Asp Gly Tyr Tyr
Asp His Asp Met
Asp His Met Asp
Asp Met Asp His
Asp Met His Asp
Asp Tyr Gly Tyr
Asp Tyr Tyr Gly
Glu Cys Cys Tyr
Glu Cys Glu His
Glu Cys His Glu
Glu Cys Tyr Cys
Glu Glu Cys His
Glu Glu His Cys
Glu His Cys Glu
Glu His Glu Cys
Glu Tyr Cys Cys
Gly Asp Tyr Tyr
Gly Tyr Asp Tyr
Gly Tyr Tyr Asp
His Cys Glu Glu
His Asp Asp Met
His Asp Met Asp
His Glu Cys Glu
His Glu Glu Cys
His Met Asp Asp
Met Cys Thr Tyr
Met Cys Tyr Thr
Met Asp Asp His
Met Asp His Asp
Met His Asp Asp
Met Thr Cys Tyr
Met Thr Tyr Cys
Met Tyr Cys Thr
Met Tyr Thr Cys
Thr Cys Met Tyr
Thr Cys Tyr Met
Thr Met Cys Tyr
Thr Met Tyr Cys
Thr Tyr Cys Met
Thr Tyr Met Cys
Tyr Cys Cys Glu
Tyr Cys Glu Cys
Tyr Cys Met Thr
Tyr Cys Thr Met
Tyr Asp Gly Tyr
Tyr Asp Tyr Gly
Tyr Glu Cys Cys
Tyr Gly Asp Tyr
Tyr Gly Tyr Asp
Tyr Met Cys Thr
Tyr Met Thr Cys
Tyr Thr Cys Met
Tyr Thr Met Cys
Tyr Tyr Asp Gly
Tyr Tyr Gly Asp
Formononetin 7-O-glucoside-6-malonate
3,5-DCQA
Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities . Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities .
4,5-DCQA
3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 3,4-Dicaffeoylquinic acid (3,4-Di-O-caffeoylquinic acid), naturally isolated from Laggera alata, has antioxidative, DNA protective, neuroprotective and hepatoprotective properties. 3,4-Dicaffeoylquinic acid exerts apoptosis-mediated cytotoxicity and α-glucosidase inhibitory effects. 3,4-Dicaffeoylquinic acid possesses a unique mechanism of anti-influenza viral activity, that is, enhancing viral clearance by increasing TRAIL[1][2][3]. 4,5-Dicaffeoylquinic acid (Isochlorogenic acid C) is an antioxidant, can be isolated from Gynura divaricata and Laggera alata. 4,5-Dicaffeoylquinic acid reduces islet cell apoptosis and improves pancreatic function in type 2 diabetic mice, and has obvious inhibitory activities against yeast α-glucosidase. 4,5-Dicaffeoylquinic acid inhibits prostate cancer cells through cell cycle arrest. 4,5-Dicaffeoylquinic acid also has anti-apoptotic, anti-injury and anti-hepatitis B virus effects[1][2][3]. 4,5-Dicaffeoylquinic acid (Isochlorogenic acid C) is an antioxidant, can be isolated from Gynura divaricata and Laggera alata. 4,5-Dicaffeoylquinic acid reduces islet cell apoptosis and improves pancreatic function in type 2 diabetic mice, and has obvious inhibitory activities against yeast α-glucosidase. 4,5-Dicaffeoylquinic acid inhibits prostate cancer cells through cell cycle arrest. 4,5-Dicaffeoylquinic acid also has anti-apoptotic, anti-injury and anti-hepatitis B virus effects[1][2][3].
Ketoconazole Metabolite (2,3-Piperazinedione, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethy
Ketoconazole Metabolite (1-Piperazinecarboxaldehyde, 4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-
2'',3''-Diacetylcosmosiin
3'',4''-Diacetylcosmosiin
Luteone 7-glucoside
b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose
Cyclocalopin D
2'',4''-Diacetylafzelin
[1,1-Biphenyl]-4-carboxylic acid [3aR-[3aa,4a(E),5b,6aa]]-4-[4-(3-chlorophenoxy)-3-oxo-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester
4-METHYL-2-(3-(3-BENZYL-2-BENZOXOZOLINYLIDENE)-1-PROPENYL)-3-BENZYL THIAZOLINIUM BROMIDE
benzene-1,3-dicarboxylic acid,furan-2,5-dione,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
2-[(1E,3Z)-3-CHLORO-5-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-fluorophenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate
Betamethasone sodium phosphate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SRT 2104
SRT 2104 is a first-in-class, highly selective and brain-permeable activator of the NAD+ dependent deacetylase Sirt1, increases Sirt1 protein, but shows no effect on Sirt1 mRNA. Used in the research of diabetes mellitus and Huntington’s disease[1][2][3].
5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester
N-Acetyl-9-azido-9-deoxyneuraminic acid methyl ester 2,4,7,8-tetraacetate
Zirconium, 2,2-bis(2-propenyloxy-.kappa.O)methyl-1-butanolato-.kappa.Otris(2-propenoato-.kappa.O)-
(S,S)-1,2-BIS[(TERT-BUTYL)METHYLPHOSPHINO]ETHANE[ETA-(2,5-NORBORNADIENE)]RHODIUM(I) TETRAFLUOROBORATE
5-Oxa-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-7- (4-Met
Maltosyl-alpha (1,4)-(Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime
CARBENICILLIN INDANYL SODIUM
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,10,12-tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]azanium
7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-(3,4-dihydroxyphenyl)-11-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid
3-(4-Hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
7-[4-(4-Acetamidophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
(1S,3S)-3,5,10,12-tetrahydroxy-3-[(1R)-1-hydroxyethyl]-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
Cys-Met-Thr-Tyr
A tetrapeptide composed of L-cysteine, L-methionine, L-threonine and L-tyrosine joined in sequence by peptide linkages.
beta-D-glucuronosyl-(1->3)-alpha-D-galacturonosyl-(1->2)-L-rhamnose
2-(1-Adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester
6-({(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino]-3-phenylpropanoyl}amino)hexanoic acid
7-(3-Amino-3-carboxypropyl)wyosine 5-monophosphate
A ribonucleoside 5-monophosphate that is wyosine 5-monophosphate substituted at position 7 by a 3-amino-3-carboxypropyl group.
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
6-[1-(1,3-Benzodioxol-5-yl)-3-(4-methoxy-1-benzouran-5-yl)-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
7-(3,4-dihydroxyphenyl)-11-oxo-6-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid
(12S,13R)-12-acetyl-9,13,19-trihydroxy-5,10,21-trimethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,5,8,10,15,18(23),19,21-nonaene-7,17-dione
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate
(3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
formononetin 7-O-glucoside-6-O-malonate
A glycosyloxyisoflavone that is formononetin attached to a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
(13R)-13-dihydrocarminomycin(1+)
An anthracyline cation that is the conjugate acid of (13R)-13-dihydrocarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3
1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one
4-[2-(hydroxymethyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]-2-methoxyphenyl 3-phenylprop-2-enoate
(2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
4-(2,4-dihydroxyphenyl)-5-(3,5-dihydroxyphenyl)-11-(4-hydroxyphenyl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-triene-7,12-diol
6-[(12z)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid
(2s,3r,4r,5r,6s)-3-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-{[(2r,3s,4r,5r)-3,4,5-trihydroxy-1-oxohexan-2-yl]oxy}oxane-2-carboxylic acid
(1r,2s,3s,4r)-2,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,3-dihydroxycyclohexane-1-carboxylic acid
(1r,3s,4s,5s)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid
(1r,3s,4r,5s)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-isopropoxyoxan-2-yl)methoxy]oxolan-3-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(1s,2r,3r,4r,7r,8s,11s,12r,13s,14r,16s,17r,18r)-2-(acetyloxy)-8-chloro-3,12,17-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadecan-11-yl acetate
1,3-dicaffeoylquinic acid
{"Ingredient_id": "HBIN001168","Ingredient_name": "1,3-dicaffeoylquinic acid","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "516.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42875","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "134688153","DrugBank_id": "NA"}
1,3- two coffee acid
{"Ingredient_id": "HBIN001309","Ingredient_name": "1,3- two coffee acid","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41428","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,5-dicaffeoylquinic acid
{"Ingredient_id": "HBIN001653","Ingredient_name": "1,5-dicaffeoylquinic acid","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "516.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42874","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129316856","DrugBank_id": "NA"}
1,5- two coffee acid
{"Ingredient_id": "HBIN001726","Ingredient_name": "1,5- two coffee acid","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-O-p-Coumaroylaloesin
{"Ingredient_id": "HBIN006259","Ingredient_name": "2'-O-p-Coumaroylaloesin","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C4=COC(=O)C=C4)O","Ingredient_weight": "516.4 g/mol","OB_score": "3.425090096","CAS_id": "NA","SymMap_id": "SMIT06852","TCMID_id": "NA","TCMSP_id": "MOL005033","TCM_ID_id": "NA","PubChem_id": "101615763","DrugBank_id": "NA"}
3,4-di-o-caffeoylquinic,acid
{"Ingredient_id": "HBIN007461","Ingredient_name": "3,4-di-o-caffeoylquinic,acid","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "NA","Ingredient_weight": "544.55","OB_score": "3.611303593","CAS_id": "NA","SymMap_id": "SMIT00888","TCMID_id": "NA","TCMSP_id": "MOL007304","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5 Dicaffeoylquinic acid
{"Ingredient_id": "HBIN007601","Ingredient_name": "3,5 Dicaffeoylquinic acid","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O","Ingredient_weight": "516.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41069","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "13604688","DrugBank_id": "NA"}
3,5-dicaffeoylquinic acid
{"Ingredient_id": "HBIN007602","Ingredient_name": "3,5-dicaffeoylquinic acid","Alias": "NA","Ingredient_formula": "C25H24O12","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O","Ingredient_weight": "516.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41070","TCMSP_id": "NA","TCM_ID_id": "21406","PubChem_id": "13604688","DrugBank_id": "NA"}
beta-d-glucopyranuronosyl-(1→3)-alpha-d-galactopyranuronosyl-(1→2)-l-rhamnose
{"Ingredient_id": "HBIN018079","Ingredient_name": "beta-d-glucopyranuronosyl-(1\u21923)-alpha-d-galactopyranuronosyl-(1\u21922)-l-rhamnose","Alias": "NA","Ingredient_formula": "C18H28O17","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "4","PubChem_id": "NA","DrugBank_id": "NA"}
