Exact Mass: 540.2002
Exact Mass Matches: 540.2002
Found 500 metabolites which its exact mass value is equals to given mass value 540.2002
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oleuropein
Oleuropein is a secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. It has a role as a plant metabolite, a radical scavenger, an anti-inflammatory agent, an antineoplastic agent, an antihypertensive agent, a NF-kappaB inhibitor, an apoptosis inducer, an antioxidant and a nutraceutical. It is a secoiridoid glycoside, a beta-D-glucoside, a methyl ester, a member of catechols, a diester and a member of pyrans. Oleuropein is a natural product found in Jasminum officinale, Olea capensis, and other organisms with data available. Oleuropein is found in fruits. Oleuropein is a bitter principle of olives. Nutriceutical with antioxidant properties.Oleuropein is a chemical compound found in olive leaf from the olive tree (and leaves of privet) together with other closely related compounds such as 10-hydroxyoleuropein, ligstroside, and 10-hydroxyligstroside. All these compounds are tyrosol esters of elenolic acid that are further hydroxylated and glycosylated. Oleuropein and its metabolite hydroxytyrosol have powerful antioxidant activity both in vivo and in vitro and give extra-virgin olive oil its bitter, pungent taste. Oleuropein preparations have been claimed to strengthen the immune system A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000890 - Anti-Infective Agents Oleuropein, found in olive leaves and oil, exerts antioxidant, anti-inflammatory and anti-atherogenic effects through direct inhibition of PPARγ transcriptional activity[1]. Oleuropein induces apoptosis in breast cancer cells via the p53-dependent pathway and through the regulation of Bax and Bcl2 genes. Oleuropein also inhibits aromatase[2]. Oleuropein, found in olive leaves and oil, exerts antioxidant, anti-inflammatory and anti-atherogenic effects through direct inhibition of PPARγ transcriptional activity[1]. Oleuropein induces apoptosis in breast cancer cells via the p53-dependent pathway and through the regulation of Bax and Bcl2 genes. Oleuropein also inhibits aromatase[2]. Oleuropein, found in olive leaves and oil, exerts antioxidant, anti-inflammatory and anti-atherogenic effects through direct inhibition of PPARγ transcriptional activity[1]. Oleuropein induces apoptosis in breast cancer cells via the p53-dependent pathway and through the regulation of Bax and Bcl2 genes. Oleuropein also inhibits aromatase[2].
Orientaloside
Orientaloside is found in herbs and spices. Orientaloside is a constituent of the roots of Rumex patientia (patience dock). Constituent of the roots of Rumex patientia (patience dock). Orientaloside is found in herbs and spices.
Torachrysone 8-(2-apiosylglucoside)
Torachrysone 8-(2-apiosylglucoside) is found in coffee and coffee products. Torachrysone 8-(2-apiosylglucoside) is a constituent of the seeds of Cassia tora (charota) Constituent of the seeds of Cassia tora (charota). Torachrysone 8-(2-apiosylglucoside) is found in coffee and coffee products, herbs and spices, and pulses.
Oleuroside
Constituent of Olea europaea (olive). Oleuroside is found in many foods, some of which are herbs and spices, fruits, fats and oils, and olive. Oleuroside is found in fats and oils. Oleuroside is a constituent of Olea europaea (olive)
Sambacin
Sambacin is found in herbs and spices. Sambacin is isolated from Jasminum sambac (Arabian jasmine).
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D009676 - Noxae > D000477 - Alkylating Agents > D000590 - Amino Acid Chloromethyl Ketones
Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl],cyclic (3®5)-disulfide
pilosanol A
(1S,2R)-1-[4-beta-D-glucopyranosyloxy-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol|(7S,8R)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside|(7S,8R)-erythro-7,9,9-tirhydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside
Oleuropein
Origin: Plant; SubCategory_DNP: Monoterpenoids, Secoiridoid monoterpenoids Oleuropein, found in olive leaves and oil, exerts antioxidant, anti-inflammatory and anti-atherogenic effects through direct inhibition of PPARγ transcriptional activity[1]. Oleuropein induces apoptosis in breast cancer cells via the p53-dependent pathway and through the regulation of Bax and Bcl2 genes. Oleuropein also inhibits aromatase[2]. Oleuropein, found in olive leaves and oil, exerts antioxidant, anti-inflammatory and anti-atherogenic effects through direct inhibition of PPARγ transcriptional activity[1]. Oleuropein induces apoptosis in breast cancer cells via the p53-dependent pathway and through the regulation of Bax and Bcl2 genes. Oleuropein also inhibits aromatase[2]. Oleuropein, found in olive leaves and oil, exerts antioxidant, anti-inflammatory and anti-atherogenic effects through direct inhibition of PPARγ transcriptional activity[1]. Oleuropein induces apoptosis in breast cancer cells via the p53-dependent pathway and through the regulation of Bax and Bcl2 genes. Oleuropein also inhibits aromatase[2].
2-acetyl-3-methyl-6-methoxynaphthalene-1,8-diol 8-O-xylosyl-(1<*>6)-glucoside|2-acetyl-3-methyl-6-methoxynaphthalene-1,8-diol 8-O-xylosyl-(1[*]6)-glucoside
Romidepsin
A cyclodepsipeptide consisting of the cyclic disulfide of (2Z)-2-aminobut-2-enoyl, L-valyl, (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoyl, D-valyl and D-cysteinyl residues coupled in sequence and cyclised head-to tail. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
(1R,5R)-5-(5-carboxymethyl-2-oxocyclopentyl)-3Z-pentyl beta-D-(6-O-galloyl)glucopyranoside
marmesin 4-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
1-C-{2-[(benzoyloxy)methyl]-4-methylphenyl}-[1-deoxy-6-O-(3,4-dimethoxyphenyl)-beta-D-glucopyranoside]|symploveroside
(R,S)-4-{(4-ethoxphenyl)[4-hydroxy-4-(hydroxymethyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl]methylene}cyclohexa-2,5-dienone|selaginellin D
(1S,5R,6R,9R)-5,12-epoxy-megastigman-3-on-9-ol 9-O-[6-O-galloyl]-beta-D-glucopyranoside|(9R)-megastigman-3-on-5,11-epoxy-9-ol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside C
(6S,9R)-megastigman-4-en-3-one-6,9-diol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside A
5-(5-carboxymethyl-2-oxocyclopentyl)-3Z-2S-pentenyl-beta-(6-O-galloyl)glucopyranoside|jamutannin A
(1aS,1bS,5aR,6S,6aS)-1a-{[(3,4-dimethoxybenzoyl)oxy]methyl}-1a,1b,2,5a,6,6a-hexahydro-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside|10-O-(3,4-dimethoxybenzoyl)-6-O-methylcatalpol|eremoside B|[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl 3,4-dimethoxybenzoate
7-hydroxy-9-beta-glucopyranosyloxylsecoisolariciresinol|cinnacassoside A
7-hydroxy-9-beta-glucopyranosyloxy secoisolariciresinol
3,5-dimethoxy-4-hydroxyphenol 1-O-beta-D-(6-O-galloyl)glucopyranoside tetramethyl ether
10-O-(3,4-dimethoxybenzoyl)-2-O-methylcatalposide|pakiside B|[(1aS,1bS,2S,5aR,6S,6aS)-1b,5a,6,6a-tetrahydro-6-hydroxy-2-[(2-O-methyl-beta-D-glucopyranosyl)oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl 3,4-dimethoxybenzoate
jiamizioside C|{[2-(beta-D-glucopyranosyloxy)-6-hyfroxyphenyl]methyl}phenyl beta-D-glucopyranoside
4,4-Di-Me-ether-(R)-2,4,7-Trihydroxy-3-(2,4,7-trihydroxyisoflavan-6-yl)flav-2-ene
7S,8S-4,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-7-O-beta-D-glucopyranoside|8-O-4-neolignan-7-O-beta-glucopyranoside
1-(4-hydroxymethyl-3-methoxyphenyl)-2-<4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy>-1,3-propanediol|1-(4-hydroxymethyl-3-methoxyphenyl)-2-[4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy]-1,3-propanediol
1,8-Dihydroxy-2-[(1,3-dimethyl-7,9-dimethoxy-10-hydroxy-3,4-dihydro-1H-naphtho[2,3-c]pyran)-5-yl]-6-methyl-9,10-anthraquinone
Glu Thr Tyr Glu
Oleuroside
O-Acetylschisantherin L
O-Acetylschisantherin L is a natural product found in Kadsura coccinea with data available.
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C25H32O13_2H-Pyran-4-acetic acid, 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-, 2-(4-hydroxyphenyl)ethyl ester, (2S,3Z,4S)
C25H32O13_Methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
methyl (4S,5Z,6S)-5-(2-hydroxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]
Cys Gln Gln Tyr
Cys Gln Tyr Gln
Cys Tyr Gln Gln
Asp Glu Phe Met
Asp Glu Met Phe
Asp Phe Glu Met
Asp Phe Met Glu
Asp Phe Pro Tyr
Asp Phe Tyr Pro
Asp Ile Met Tyr
Asp Ile Tyr Met
Asp Leu Met Tyr
Asp Leu Tyr Met
Asp Met Glu Phe
Asp Met Phe Glu
Asp Met Ile Tyr
Asp Met Leu Tyr
Asp Met Tyr Ile
Asp Met Tyr Leu
Asp Pro Phe Tyr
Asp Pro Tyr Phe
Asp Tyr Phe Pro
Asp Tyr Ile Met
Asp Tyr Leu Met
Asp Tyr Met Ile
Asp Tyr Met Leu
Asp Tyr Pro Phe
Glu Asp Phe Met
Glu Asp Met Phe
Glu Glu Thr Tyr
Glu Glu Tyr Thr
Glu Phe Asp Met
Glu Phe Met Asp
Glu Met Asp Phe
Glu Met Phe Asp
Glu Met Val Tyr
Glu Met Tyr Val
Glu Thr Glu Tyr
Glu Val Met Tyr
Glu Val Tyr Met
Glu Tyr Glu Thr
Glu Tyr Met Val
Glu Tyr Thr Glu
Glu Tyr Val Met
Phe Asp Glu Met
Phe Asp Met Glu
Phe Asp Pro Tyr
Phe Asp Tyr Pro
Phe Glu Asp Met
Phe Glu Met Asp
Phe Met Asp Glu
Phe Met Glu Asp
Phe Pro Asp Tyr
Phe Pro Tyr Asp
Phe Tyr Asp Pro
Phe Tyr Pro Asp
Ile Asp Met Tyr
Ile Asp Tyr Met
Ile Met Asp Tyr
Ile Met Tyr Asp
Ile Tyr Asp Met
Ile Tyr Met Asp
Leu Asp Met Tyr
Leu Asp Tyr Met
Leu Met Asp Tyr
Leu Met Tyr Asp
Leu Tyr Asp Met
Leu Tyr Met Asp
Met Asp Glu Phe
Met Asp Phe Glu
Met Asp Ile Tyr
Met Asp Leu Tyr
Met Asp Tyr Ile
Met Asp Tyr Leu
Met Glu Asp Phe
Met Glu Phe Asp
Met Glu Val Tyr
Met Glu Tyr Val
Met Phe Asp Glu
Met Phe Glu Asp
Met Ile Asp Tyr
Met Ile Tyr Asp
Met Leu Asp Tyr
Met Leu Tyr Asp
Met Met Pro Tyr
Met Met Tyr Pro
Met Asn Asn Tyr
Met Asn Tyr Asn
Met Pro Met Tyr
Met Pro Tyr Met
Met Val Glu Tyr
Met Val Tyr Glu
Met Tyr Asp Ile
Met Tyr Asp Leu
Met Tyr Glu Val
Met Tyr Ile Asp
Met Tyr Leu Asp
Met Tyr Met Pro
Met Tyr Asn Asn
Met Tyr Pro Met
Met Tyr Val Glu
Asn Met Asn Tyr
Asn Met Tyr Asn
Asn Asn Met Tyr
Asn Asn Tyr Met
Asn Tyr Met Asn
Asn Tyr Asn Met
Pro Asp Phe Tyr
Pro Asp Tyr Phe
Pro Phe Asp Tyr
Pro Phe Tyr Asp
Pro Met Met Tyr
Pro Met Tyr Met
Pro Tyr Asp Phe
Pro Tyr Phe Asp
Pro Tyr Met Met
Gln Cys Gln Tyr
Gln Cys Tyr Gln
Gln Gln Cys Tyr
Gln Gln Tyr Cys
Gln Tyr Cys Gln
Gln Tyr Gln Cys
Thr Glu Glu Tyr
Thr Glu Tyr Glu
Thr Tyr Glu Glu
Val Glu Met Tyr
Val Glu Tyr Met
Val Met Glu Tyr
Val Met Tyr Glu
Val Tyr Glu Met
Val Tyr Met Glu
Tyr Cys Gln Gln
Tyr Asp Phe Pro
Tyr Asp Ile Met
Tyr Asp Leu Met
Tyr Asp Met Ile
Tyr Asp Met Leu
Tyr Asp Pro Phe
Tyr Glu Glu Thr
Tyr Glu Thr Glu
Tyr Phe Asp Pro
Tyr Phe Pro Asp
Tyr Met Met Pro
Tyr Met Asn Asn
Tyr Met Pro Met
Tyr Asn Met Asn
Tyr Asn Asn Met
Tyr Pro Asp Phe
Tyr Pro Phe Asp
Tyr Pro Met Met
Tyr Gln Cys Gln
Tyr Gln Gln Cys
Tyr Thr Glu Glu
12R-acetoxy-punaglandin 4
12R-acetoxy-7Z-punaglandin 4
12S-acetoxy-punaglandin 5
Ac-YVAD-CMK
Torachrysone 8-(2-apiosylglucoside)
orientaloside
12R-acetoxy-punaglandin 4
12R-acetoxy-7Z-punaglandin 4
12S-acetoxy-punaglandin 5
Acofide trihydrate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D005765 - Gastrointestinal Agents D004791 - Enzyme Inhibitors
α-D-Mannopyranoside, phenyl 2,3-bis-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-1-thio
1,1-DIPROPYL-3,3,3,3-TETRAMETHYLINDOCARBOCYANINE IODIDE
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,5-ditert-butylphenoxy]-3-(trifluoromethyl)aniline
B-D-Glucopyranoside,phenyl2,3-bis-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-1-thio-
N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide
Lomerizine hydrochloride
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
Relacatib
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor COVID info from Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Derazantinib dihydrochloride
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (4S,5E,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl],cyclic (3 not not(R)ao radicalu5)-disulfide
Junceellolide C, (+)-, (rel)-
A natural product found in Dichotella gemmacea and Junceella fragilis.
oleuropein 6-O-beta-D-glucopyranoside
A natural product found in Olea europaea.
(4S,5S)-5-[2-(azidomethyl)phenyl]-4-[[2-(azidomethyl)phenyl]methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazole-4-carboxamide
3-fluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
3-fluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-fluoro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
(1R,8E,9Z,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadeca-4,9-diene-3,11-dione
20-carboxy-leukotriene B4-(beta-D-glucuronide)(2-)
L-Thr-6-alpha-D-GalpA-3-OAc-(1->3)-beta-D-Gal-NAc
An important, threonine-containing epitope of the Proteus penneri O-specific polysaccharide.
Aloe C-glucosylchromone
A C-glycosyl compound consisting of 2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4H-chromen-4-one substituted by a beta-D-[2-O-(E)-cinnamoyl]glucopyranosyl residue at position 8 via a C-glycosidic linkage. It is isolated from the leaves of Aloe barbadensis and exhibits anti-inflammatory activity.
20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide)(2-)
A leukotriene anion obtained by deprotonation of the carboxylic acid functions of 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide); major species at pH 7.3.
Velusetrag (hydrochloride)
Velusetrag (TD-5108) hydrochloride is an orally active, potent and selective agonist of serotonin 5-HT4 receptor (5-HT4R), with a pKi of 7.7. Velusetrag hydrochloride exhibits no affinity (Ki>10 μM) for 5-HT2A and 5-HT2B receptors. Velusetrag hydrochloride can be used for the research of gastrointestinal diseases and Parkinson's disease[1][2][3][4][5].
1-(8-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-hydroxy-3-methylnaphthalen-2-yl)ethanone
14,15-bis(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl acetate
{3-oxo-2-[5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)pent-2-en-1-yl]cyclopentyl}acetic acid
(1s,4r,5r,7s,11r,13s,16s,17s,18s,19r)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(1's,2r,2'r,3'r,4's,7's,8's,10'e,12'r,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate
(5,6,7-trihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
1,8-dihydroxy-2-{10-hydroxy-7,9-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}-6-methylanthracene-9,10-dione
(1r,2r,5r,6s,9r,10s,11s,14r,15s,16s,17r)-14,15-bis(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl acetate
15-[(1z)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
14-(acetyloxy)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2,4(8),9,16,21-hexaen-11-yl 2-methylbut-2-enoate
[(2r,3s,4s,5r,6s)-6-{[(1s,18s,19r,20s)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
1-hydroxy-21-methoxy-12-(4-methoxyphenyl)-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),14,16(20),21-tetraen-9-one
2-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-4-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
2-(2-hydroxy-4-methoxyphenyl)-3-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl)-2-methoxyphenyl]-4h-chromen-7-ol
4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{2-[(2s)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl}oxan-3-yl (2e)-3-phenylprop-2-enoate
10-acetoxy-1-acevaltratehydrin
{"Ingredient_id": "HBIN000041","Ingredient_name": "10-acetoxy-1-acevaltratehydrin","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "CC(C)CC(=O)OC1C=C2C(C1(COC(=O)C)O)C(OC=C2COC(=O)C)OC(=O)CC(C)(C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "121","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
10-hydroxyligustroside
{"Ingredient_id": "HBIN000145","Ingredient_name": "10-hydroxyligustroside","Alias": "NA","Ingredient_formula": "C25H32O13","Ingredient_Smile": "COC(=O)C1=COC(C(=CCO)C1CC(=O)OCCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "540.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10323","TCMSP_id": "NA","TCM_ID_id": "9428","PubChem_id": "14756316","DrugBank_id": "NA"}
2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7h-furo[3,2-g][1]benzopyran-7-one,9ci; (s)-form,o-[beta-d-apiofuranosyl-(1→6)-beta-d-glucopyranoside]
{"Ingredient_id": "HBIN003979","Ingredient_name": "2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7h-furo[3,2-g][1]benzopyran-7-one,9ci; (s)-form,o-[beta-d-apiofuranosyl-(1\u21926)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C25H32O13","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8957","PubChem_id": "NA","DrugBank_id": "NA"}
2-acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-me ether,8-o-[beta-d-apiofuranosyl-(1→2)-beta-d-glucopyranoside]
{"Ingredient_id": "HBIN005119","Ingredient_name": "2-acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-me ether,8-o-[beta-d-apiofuranosyl-(1\u21922)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C25H32O13","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8722","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylstritosamide
{"Ingredient_id": "HBIN012613","Ingredient_name": "6-o-acetylstritosamide","Alias": "NA","Ingredient_formula": "C28H32N2O9","Ingredient_Smile": "CC=C1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)COC(=O)C)O)O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN013000","Ingredient_name": "7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21698","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-feruloylharpagide
{"Ingredient_id": "HBIN013856","Ingredient_name": "8-o-feruloylharpagide","Alias": "8- o -feruloylharpagide","Ingredient_formula": "C25H32O13","Ingredient_Smile": "CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC","Ingredient_weight": "540.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15395","TCMID_id": "7775","TCMSP_id": "NA","TCM_ID_id": "7417","PubChem_id": "101402541","DrugBank_id": "NA"}
aloesinol; (2's)-form,7-me ether,2''-o-cinnamoyl(e-)
{"Ingredient_id": "HBIN015311","Ingredient_name": "aloesinol; (2's)-form,7-me ether,2''-o-cinnamoyl(e-)","Alias": "NA","Ingredient_formula": "C29H32O10","Ingredient_Smile": "NA","Ingredient_weight": "540.56","OB_score": "NA","CAS_id": "181279-55-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6989","PubChem_id": "NA","DrugBank_id": "NA"}