Exact Mass: 384.12158300000004
Exact Mass Matches: 384.12158300000004
Found 500 metabolites which its exact mass value is equals to given mass value 384.12158300000004
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Macrozamin
Macrozamin is a glycoside. (Z)-methyl-oxido-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethylimino]ammonium is a natural product found in Macrozamia communis, Dioon spinulosum, and other organisms with data available. Macrozamin is a major constituent principle of Cycads. Macrozamin has carcinogenic, mutagenic, teratogenic and neurotoxic properties[1].
S-adenosylhomocysteine (SAH)
S-Adenosyl-L-homocysteine (SAH) is formed by the demethylation of S-adenosyl-L-methionine. S-Adenosylhomocysteine (AdoHcy or SAH) is also the immediate precursor of all of the homocysteine produced in the body. The reaction is catalyzed by S-adenosylhomocysteine hydrolase and is reversible with the equilibrium favoring formation of SAH. In vivo, the reaction is driven in the direction of homocysteine formation by the action of the enzyme adenosine deaminase which converts the second product of the S-adenosylhomocysteine hydrolase reaction, adenosine, to inosine. Except for methyl transfer from betaine and from methylcobalamin in the methionine synthase reaction, SAH is the product of all methylation reactions that involve S-adenosylmethionine (SAM) as the methyl donor. Methylation is significant in epigenetic regulation of protein expression via DNA and histone methylation. The inhibition of these SAM-mediated processes by SAH is a proven mechanism for metabolic alteration. Because the conversion of SAH to homocysteine is reversible, with the equilibrium favoring the formation of SAH, increases in plasma homocysteine are accompanied by an elevation of SAH in most cases. Disturbances in the transmethylation pathway indicated by abnormal SAH, SAM, or their ratio have been reported in many neurodegenerative diseases, such as dementia, depression, and Parkinsons disease (PMID:18065573, 17892439). Therefore, when present in sufficiently high levels, S-adenosylhomocysteine can act as an immunotoxin and a metabotoxin. An immunotoxin disrupts, limits the function, or destroys immune cells. A metabotoxin is an endogenous metabolite that causes adverse health effects at chronically high levels. Chronically high levels of S-adenosylhomocysteine are associated with S-adenosylhomocysteine (SAH) hydrolase deficiency and adenosine deaminase deficiency. S-Adenosylhomocysteine forms when there are elevated levels of homocysteine and adenosine. S-Adenosyl-L-homocysteine is a potent inhibitor of S-adenosyl-L-methionine-dependent methylation reactions. It is toxic to immature lymphocytes and can lead to immunosuppression (PMID:221926). S-adenosylhomocysteine, also known as adohcy or sah, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosylhomocysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). S-adenosylhomocysteine can be found in a number of food items such as rapini, european plum, rambutan, and pepper (c. pubescens), which makes S-adenosylhomocysteine a potential biomarker for the consumption of these food products. S-adenosylhomocysteine can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout most human tissues. S-adenosylhomocysteine exists in all living species, ranging from bacteria to humans. In humans, S-adenosylhomocysteine is involved in several metabolic pathways, some of which include phosphatidylcholine biosynthesis PC(14:0/18:3(9Z,12Z,15Z)), phosphatidylcholine biosynthesis PC(22:4(7Z,10Z,13Z,16Z)/22:0), phosphatidylcholine biosynthesis PC(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)), and phosphatidylcholine biosynthesis PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)). S-adenosylhomocysteine is also involved in several metabolic disorders, some of which include 3-phosphoglycerate dehydrogenase deficiency, hawkinsinuria, non ketotic hyperglycinemia, and tyrosine hydroxylase deficiency. Moreover, S-adenosylhomocysteine is found to be associated with neurodegenerative disease and parkinsons disease. S-adenosylhomocysteine is a non-carcinogenic (not listed by IARC) potentially toxic compound. S-Adenosyl-L-homocysteine (SAH) is an amino acid derivative used in several metabolic pathways in most organisms. It is an intermediate in the synthesis of cysteine and adenosine . [Spectral] S-Adenosyl-L-homocysteine (exact mass = 384.12159) and Adenosine (exact mass = 267.09675) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] S-Adenosyl-L-homocysteine (exact mass = 384.12159) and Cytidine (exact mass = 243.08552) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from PDB, Protein Data Bank, WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
4-Demethyldeoxypodophyllotoxin
Licopyranocoumarin
Licopyranocoumarin is an isoflavonoid and an organic hydroxy compound. Licopyranocoumarin is a natural product found in Glycyrrhiza and Glycyrrhiza uralensis with data available. See also: Glycyrrhiza Glabra (part of). Licopyranocoumarin is found in herbs and spices. Licopyranocoumarin is isolated from Glycyrrhiza sp. Isolated from Glycyrrhiza species Licopyranocoumarin is found in herbs and spices.
(+)-Zeylenol
(+)-Zeylenol is found in herbs and spices. (+)-Zeylenol is a constituent of Piper cubeba (cubeb pepper)
Piperenol B
Piperenol B is found in herbs and spices. Piperenol B is isolated from Piper cubeba (cubeb pepper). Isolated from Piper cubeba (cubeb pepper). Piperenol B is found in herbs and spices.
Dulxanthone F
Dulxanthone F is found in fruits. Dulxanthone F is a constituent of Garcinia dulcis (mundu) Constituent of Garcinia dulcis (mundu). Dulxanthone F is found in fruits.
Piperenol A
Piperenol A is found in herbs and spices. Piperenol A is isolated from Piper cubeba (cubeb pepper). Isolated from Piper cubeba (cubeb pepper). Piperenol A is found in herbs and spices.
3'-O-Methylgancaonin P
3-O-Methylgancaonin P is found in herbs and spices. 3-O-Methylgancaonin P is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). 3-Methylgancaonin P is found in herbs and spices.
Tomenin
Constituent of Prunus tomentosa (nanking cherry). Tomenin is found in fruits and nanking cherry. Tomenin is found in fruits. Tomenin is a constituent of Prunus tomentosa (nanking cherry).
5-Methoxyhinokinin
5-Methoxyhinokinin is found in herbs and spices. 5-Methoxyhinokinin is isolated from fruits of Piper cubeba (cubeb pepper). Isolated from fruits of Piper cubeba (cubeb pepper). 5-Methoxyhinokinin is found in herbs and spices.
3-O-Methyluralenol
3-O-Methyluralenol is found in herbs and spices. 3-O-Methyluralenol is a constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). 3-O-Methyluralenol is found in herbs and spices.
Eleutheroside B1
Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.
Oxyisocyclointegrin
Oxyisocyclointegrin is found in fruits. Oxyisocyclointegrin is a constituent of heartwood of Artocarpus integer (champedak)
Isolicopyranocoumarin
Isolicopyranocoumarin is found in herbs and spices. Isolicopyranocoumarin is a constituent of Glycyrrhiza sp Constituent of Glycyrrhiza species Isolicopyranocoumarin is found in herbs and spices.
Calebin A
Calebin A is found in herbs and spices. Calebin A is a constituent of the rhizomes of Cucuma longa (turmeric). Constituent of the rhizomes of Cucuma longa (turmeric). Calebin A is found in turmeric and herbs and spices.
Licofuranocoumarin
Licofuranocoumarin is found in herbs and spices. Licofuranocoumarin is a constituent of Glycyrrhiza uralensis (Chinese licorice) Constituent of Glycyrrhiza uralensis (Chinese licorice). Licofuranocoumarin is found in herbs and spices.
Uralene
Uralene is found in herbs and spices. Uralene is a constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Uralene is found in herbs and spices.
Gancaonin D
Gancaonin D is found in herbs and spices. Gancaonin D is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin D is found in herbs and spices.
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4 and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
4-(4-(Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide
Elafibranor
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-sulfanylbutanoic acid
UVA-1
buddlenol E
(2S,3S)-3,5,7-Trihydroxy-2-methoxy-6,6-dimethylpyrano[2,3:4,3]flavanone
(2,4-cis)-3,4-Methylenedioxy-4,5,8-trimethoxy-[2,3:7,6]-furanoflavan
2-Methyl-9b-(1H-indole-3-yl)-2,4a,5-triaza-1,2,3,4,4a,4b,5,9b-octahydroindeno[2,1-a]indene-1,3,4-trione
5,4-Dihydroxy-2-(1-hydroxy-1-methylethyl)-3-methoxyfurano[4,5:6,7]isoflavone
4,5-Dihydro-3,5,3,4-tetrahydroxy-4,6,6-trimethylpyrano[2,3:7,8]flavone
Licopyranocoumarin
5,7,3,4-Tetrahydroxy-3-methoxy-5-prenylflavone
Oxyisocyclointegrin
5-Chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydroxy-7-methyl-7,8-dihydro-6H-isochromen-6-one
6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
(2R,3S)-2-Acetyl-3-hydroxy-2-methyl-5,6-methylenedioxy-3-veratrylindan-1-one|2-Acetyl-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-methyl-5,6-methylenedioxyindenone|rel-(2R,3S)-2-acetyl-3-hydroxy-2-methyl-5,6-methylenedioxy-3-veratrylindan-1-one
6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
(6aR,11aR)-2-(4,5-dihydroxy-1-isopentenyl)-3-hydroxy-8,9-methylenedioxypterocarpan
(1S,2S,3R,4S)-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol|1alpha-benzoyloxymethyl-3alpha-benzoyloxycyclohex-5-en-1beta,2beta,4beta-triol
9-ethyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
(2R,3R)-2,3-dihydro-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one|glysapinol
2-O-[2-(5-hydroxy-2,6,6-trimethyl-3-oxo-2H-pyran-2-yl)ethyl]bergaptol
3-deoxy-5-o-alpha-L-rhamnopyranosyl-D-manno-2-octulopyrosonic acid|alpha-L-rhamnopyranosido-(1<*>5)-D-3-deoxy-D-manno-2-octulosonic acid|alpha-L-rhamnopyranosido-(1[*]5)-D-3-deoxy-D-manno-2-octulosonic acid
(-)-4-hydroxybenzoicacid-4-O-[6-O-((2R)-methylbutyryl)-beta-D-glucopyranoside]
1,3,6-trihydroxy-7-methoxy-2-(3-methylbut-2-enyl)-8-(2-oxoethyl)-9H-xanthen-9-one|oxoethylmangostine
1-(4,5-dihydroxy-3-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione|curcumalongin C
6-(3-methyl-2-buten-1-yl)-3,5,7-trihydroxy-4-methoxycoumarano-chroman-4-one
5-beta-D-glucopyranosyloxy-7-hydroxy-2-isopropylchromanone
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-acetylamino-7-(N-acetyl-2-aminoethylene)-1,4-benzodioxane
O-[3-(2,2-dimethyl-3-oxo-2H-furan-5-yl)-3-hydroxybutyl]bergaptol
2,4,4,5-tetramethoxy-[2,3:6,7]-furanodihydroaurone
2(S)-5,7-dihydroxy-3-methoxy-[2-(5-hydroxy)-methylpyrano]-(5,6:3,4)flavanone
2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-3-methoxy-4-hydroxy-6-(4-hydroxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
5-Ethoxy-2,3,10-tri-O-methylpeltogynin|5-ethoxy-2,3,10-trimethoxy-<1>benzopyrano<3,2-c><2>benzopyran-7(5H)-one
alpha-(trans-5-hydroxy-3,4-dimethoxybenzylidine)-beta-(3,4-methylenedioxybenzyl)-gamma-butyrolactone
Eleutheroside B1
Eleutheroside B1 is a natural product found in Eleutherococcus senticosus with data available.
4-demethyl-
4-demethyldeoxypodophyllotoxin is a member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group. It has a role as a plant metabolite, an immunosuppressive agent, an antioxidant and an antineoplastic agent. It is a lignan, a gamma-lactone, a furonaphthodioxole, a member of methoxybenzenes and a member of phenols. 4-Demethyldeoxypodophyllotoxin is a natural product found in Diphylleia grayi, Hebecarpa macradenia, and other organisms with data available. A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group.
Isofraxidin-7-glucoside
Calycanthoside is a natural product found in Salsola laricifolia, Boeremia exigua, and other organisms with data available.
6-Prenylquercetin-3-Me ether
5,7,3,4-Tetrahydroxy-3-methoxy-6-prenylflavone is a natural product found in Glycyrrhiza uralensis with data available.
S-(5-Adenosyl)-L-homocysteine
SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
S-Adenosyl-L-homocysteine
An organic sulfide that is the S-adenosyl derivative of L-homocysteine. COVID info from PDB, Protein Data Bank, WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate
6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
4-Demethyldeoxypodophyllotoxin
Origin: Plant, Organic chemicals, Polycyclic compounds, Naphthalenes
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based: Match]
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846833]
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000846337]
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000845530]
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based: Match]
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based: Match]
S-Adenosylhomocysteine
SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
Asp Gly Gly His
Asp Gly His Gly
Asp His Gly Gly
Gly Asp Gly His
Gly Asp His Gly
Gly Gly Asp His
Gly Gly His Asp
Gly His Asp Gly
Gly His Gly Asp
His Asp Gly Gly
His Gly Asp Gly
His Gly Gly Asp
Gancaonin D
Gancaonin P 3methyl ether
Eleutheroside B1
Isolicopyranocoumarin
Licofuranocoumarin
5-Methoxyhinokinin
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
1-methoxy-3,8,9-trihydroxy-2-prenylcoumestan
N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)isobutyramide
Tetrazolium violet
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts
L-Alanine,1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl ester
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
(carboethoxymethyl)triphenylphosphonium chloride hydrate
methyl 4-((4-(tert-butoxycarbonyl)piperazinyl)sulfonyl)benzoate
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
(S)-2-(4-Methylphenylsulfonamido)-N-(5-phenyl-1H-pyrrol-3-yl)propanamide
[2-BENZYL-[(2-METHOXY-BENZENESULFONYL)-AMINO]-ETHYL]-DIMETHYLAMINE HYDROCHLORIDE
4-(3-CARBOXY-BENZENESULFONYL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[[2(or 3)-(phenylmethyl)[1,1-biphenyl]-4-yl]oxy]-,sodium salt
ethyl 2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxylate
VU 29
VU-29 is a positive allosteric modulator of metabotropic glutamate 5 (mGlu5) receptor (EC50=9 nM and Ki=244 nM for rmGluR5). VU-29 is selective for mGluR5 relative to other mGluR subtypes (EC50: rmGluR1/rmGluR2=557 nM/1.5 μM; hmGluR4=154 nM)[1][2].
Bicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylicacid, 2,6-dihydroxy-, 1,3,5,7-tetramethyl ester
bis(ethyl acetoacetato)(2,4-pentanedionato)aluminium
p-Nitrophenyl 2-Acetamido-2-deoxy-3-O-acetyl-β-D-glucopyranoside
(4R,12aS)-3,4,6,8,12,12a-Hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
2-Propenoic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-, 2-acetyl-5-methoxyphenyl ester
(4Z)-4-[(2E,4E)-5-(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-1,2-oxazol-5-one
Elafibranor
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist Elafibranor (GFT505) is a PPARα/δ agonist with EC50s of 45 and 175 nM, respectively.
4-{[4-(1-Cyclopropyl-2-Methyl-1h-Imidazol-5-Yl)pyrimidin-2-Yl]amino}-N-Methylbenzenesulfonamide
Sarizotan hydrochloride
C26170 - Protective Agent > C1509 - Neuroprotective Agent
Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-
N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propyl-3-quinolinecarboxamide
2-[(4,7-Dimethyl-2-quinazolinyl)thio]-1,2-diphenylethanone
N-{3-Methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4 and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
3-Hydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one
Eleutheroside B1
Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.
5-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5-thioadenosine
(2S)-2-amino-4-[[5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-sulfanylbutanoic acid
(E)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-3-oxobut-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enoic acid
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester
6-O-sinapoyl-D-glucono-1,5-lactone
The 6-O-sinapoyl derivative of D-glucono-1,5-lactone.
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester
1-[4-(4-Morpholinyl)-2,1,3-benzoxadiazol-7-yl]-3-(4-nitrophenyl)urea
N-(1H-benzimidazol-2-ylmethyl)-3-(1-pyrrolidinylsulfonyl)benzamide
N-(1H-benzimidazol-2-ylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide
5-Chloro-4-(4-methoxyphenoxy)-2-(3-methyl-4-propan-2-ylphenyl)-3-pyridazinone
1-(Diethylamino)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
4-[[[5-(2,3-Dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[(3-ethyl-5,8-dimethyl-2-quinolinyl)thio]acetamide
N-(2-chlorophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamide
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
1-butyl-N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-3-quinolinecarboxamide
Kweichowenol B
A benzoate ester that is the diester obtained by the formal condensation of two molecules of benzoic acid with the hydroxymethyl group at position 1 and the hydroxy group at position 4 of 1-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol the (1S,4R,5S,6S stereoisomer). Isolated from the leaves of Uvaria kweichowensis, it exhibits antitumour activity.
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(Z)-(2,5-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
dihydrofuro-7-O-methylluteone
A a methoxyisoflavone that is a 7-methoxyisoflavone compound arising from enzyme-mediated epoxidation/cyclisation of 7-O-methylluteone.
(E)-(2,5-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentoxy]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-[(E)-3-oxobut-1-enyl]phenoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
(2Z,5E)-2-[(4-ethylphenyl)imino]-5-(4-hydroxy-3,5-dimethoxybenzylidene)-1,3-thiazolidin-4-one
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide
S-adenosyl-L-homocysteine zwitterion
Zwitterionic form of S-adenosyl-L-homocysteine arising from migration of a proton from the carboxy group to the alpha-amino group; major species at pH 7.3.
(1r,2s,5s,6s)-5-[(benzoyloxy)methyl]-2,5,6-trihydroxycyclohex-3-en-1-yl benzoate
(1r,4s,5r,6r)-3-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-methoxy-4,6-dimethyl-3h-2-benzofuran-1-one
(2r,3r)-4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methoxy-2h,3h-furo[3,2-g]chromen-5-one
(3s,6s)-13-chloro-6,14-dihydroxy-16-methoxy-3-methyl-4,5,6,7,8,9,10,12-octahydro-3h-2-benzoxacyclotetradecine-1,11-dione
[(3ar,11as)-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-6-yl]methyl (2r)-3-chloro-2-hydroxy-2-methylpropanoate
3-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-(2-oxo-2-phenylethyl)-6-oxabicyclo[3.2.1]octan-7-one
(10r,11r,15r)-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-2,7-dimethyl-4a,8a-dihydrochromen-4-one
5,6-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
3,5,7-trihydroxy-8-methoxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6-(3-methylbut-2-en-1-yl)chromen-4-one
2-[3-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-5-methylphenoxy]-5-methylbenzene-1,3-diol
(8r)-6,8,11-trihydroxy-8-[(1s)-1-hydroxyethyl]-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione
4-({4-hydroxy-10-methoxy-6-methyl-2-oxo-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-12-yl}oxy)-2-methylbut-2-enoic acid
3-hydroxy-8-[(4-methoxy-6-oxopyran-2-yl)methyl]-1-phenyl-9,10-dioxatricyclo[4.3.1.0³,⁸]decan-4-one
(1s,4r,5s,6s)-4-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
(4s)-4,7,8-trimethoxy-4-[(4-methoxyphenyl)methyl]-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8,11-tetraen-5-one
(1r,4s,5s,6s)-4-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
(6r,7r)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-4-one
(1s,4r,5s,6s)-6-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
4-({4-hydroxy-10-methoxy-6-methyl-2-oxo-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-12-yl}oxy)-2-methylbut-3-enoic acid
3-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-8-hydroxy-1-methylanthracene-9,10-dione
5-[(1s,3ar,4s,6ar)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2h-1,3-benzodioxole
6-[(1r,3as,4r,6as)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2h-1,3-benzodioxole
(3s,4s)-4,8-dihydroxy-4-methyl-3-({[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydronaphthalen-1-one
1,3-di- o - p -coumaroylglycerol
{"Ingredient_id": "HBIN001221","Ingredient_name": "1,3-di- o - p -coumaroylglycerol","Alias": "NA","Ingredient_formula": "C21H20O7","Ingredient_Smile": "NA","Ingredient_weight": "384.38","OB_score": "NA","CAS_id": "115788-09-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9546","PubChem_id": "NA","DrugBank_id": "NA"}
5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether,6-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN011112","Ingredient_name": "5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether,6-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H20O10","Ingredient_Smile": "NA","Ingredient_weight": "384.33","OB_score": "NA","CAS_id": "32451-87-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7725","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-5'-demethoxyepiexcelsin
{"Ingredient_id": "HBIN011508","Ingredient_name": "(+)-5'-demethoxyepiexcelsin","Alias": "NA","Ingredient_formula": "C21H20O7","Ingredient_Smile": "COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC6=C(C=C5)OCO6","Ingredient_weight": "384.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5045","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "489947","DrugBank_id": "NA"}
alstonine
{"Ingredient_id": "HBIN015773","Ingredient_name": "alstonine","Alias": "NA","Ingredient_formula": "C21H21ClN2O3","Ingredient_Smile": "CC1C2CN3C=CC4=C5C=CC=CC5=NC4=C3CC2C(=CO1)C(=O)OC.Cl","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1002","TCMSP_id": "NA","TCM_ID_id": "6853;17607","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer glycerol ester pmv70p691-117
{"Ingredient_id": "HBIN016345","Ingredient_name": "anticancer glycerol ester pmv70p691-117","Alias": "NA","Ingredient_formula": "C21H20O7","Ingredient_Smile": "C1=CC(=CC=C1C=CC(=O)OCC(COC(=O)C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1422","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}