Exact Mass: 384.0868
Exact Mass Matches: 384.0868
Found 500 metabolites which its exact mass value is equals to given mass value 384.0868
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Hydroxyversicolorone
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 3-oxobutyl group.
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.
2-O-Feruloylhydroxycitric acid
2-O-Feruloylhydroxycitric acid is found in cereals and cereal products. 2-O-Feruloylhydroxycitric acid is a constituent of Zea mays (sweet corn). Constituent of Zea mays (sweet corn). 2-O-Feruloylhydroxycitric acid is found in cereals and cereal products, fats and oils, and corn.
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.
5,6-Dimethoxysterigmatocystin
5,6-Dimethoxysterigmatocystin is a mycotoxin produced by Aspergillus multicolo D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
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.
Propanoic acid, 3-((((2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)amino)thioxomethyl)thio)-
Glucose lactate ketone
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-sulfanylbutanoic acid
Theasaponin F2
Theasaponin f2 is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Theasaponin f2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin f2 can be found in tea, which makes theasaponin f2 a potential biomarker for the consumption of this food product.
betanidin quinone
Betanidin quinone is a member of the class of compounds known as betalains. Betalains are organic compounds belonging to the class of Betaxanthins or Betacyanins. This class also contains derivatives of betalamic acid, which is the precursor of betalains. Betanidin quinone is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Betanidin quinone can be found in a number of food items such as star fruit, bitter gourd, moth bean, and herbs and spices, which makes betanidin quinone a potential biomarker for the consumption of these food products.
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
O=C1C2=C(O)C=C(O)C=C2C(=O)C(C=C2O3)=C1C(O)=C2C1C(O)CCC3(C)O1
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
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
2-Acetoxy-1,3-dimethoxy-methylendioxypterocarp-6a-en
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
(-)-sanguinolignan B|(8S,7S,8S)-3,3,4,4-bis(methylenedioxy)-7-hydroxy-7-oxolignano-9,9-lactone
Me ester-9,10-Dihydro-3,6,8-trihydroxy-9,10-dioxo-1-(1-oxopropyl)-2-anthranceneacetic acid
(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
9,10-Dihydro-5-hydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4,8-dione
2-O-[2-(5-hydroxy-2,6,6-trimethyl-3-oxo-2H-pyran-2-yl)ethyl]bergaptol
(+)-4-oxo-8-hydroxy-2,6-di(3,4-methylenedioxy)phenyl-3,7-dioxabicyclo[3.3.0]octane|vitelignin A
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
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-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-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-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].
Cys Cys Cys Gly
Cys Cys Gly Cys
Cys Gly Cys Cys
Gly Cys Cys Cys
Gancaonin D
Gancaonin P 3methyl ether
Eleutheroside B1
Dimethoxysterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Isolicopyranocoumarin
Licofuranocoumarin
5-Methoxyhinokinin
2-O-Feruloylhydroxycitric acid
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
1-methoxy-3,8,9-trihydroxy-2-prenylcoumestan
trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione
3-bromo-2-[[4-(diethylamino)-o-tolyl]azo]-5-methylbenzonitrile
4-(1H,1H,2H,2H,3H,3H-PERFLUOROHEPTYLOXY)BENZYL ALCOHOL
Phosphonium,(1-methylethyl)triphenyl-, bromide (1:1)
N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)isobutyramide
2-(2-(2-oxo-2H-chromen-7-yloxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
tert-Butyl 3-((5-bromo-3-formylpyridin-2-yloxy)-methyl)pyrrolidine-1-carboxylate
Tetrazolium violet
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts
5-o-(p-chlorobenzoyl)-3-c-(2-trimethylsilylethynyl)-d-ribofuranose
3-((4-BROMOPHENYL)(2,5-DIMETHYLPHENYL)METHYL)-2,5-DIMETHYLTHIOPHENE
L-Alanine,1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl ester
(carboethoxymethyl)triphenylphosphonium chloride hydrate
sodium,formaldehyde,6-hydroxynaphthalene-2-sulfonic acid,2-methylphenolate
Alizarin Complexone dihydrate, indicator grade, pure
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide
(S)-2-(4-Methylphenylsulfonamido)-N-(5-phenyl-1H-pyrrol-3-yl)propanamide
2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
Bicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylicacid, 2,6-dihydroxy-, 1,3,5,7-tetramethyl ester
DICLOFENACBETA-DIMETHYLAMINOETHANOL
C14H11Cl2NO2.C4H11NO (384.1007)
p-Nitrophenyl 2-Acetamido-2-deoxy-3-O-acetyl-β-D-glucopyranoside
2-Propenoic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-, 2-acetyl-5-methoxyphenyl ester
3-Bromo-5-(ethoxycarbonylmethoxy)phenylboronic acid, pinacol 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
LY2140023 Monohydrate
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Phenyliodoundecynoate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
Propanoic acid, 3-((((2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)amino)thioxomethyl)thio)-
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-
(4-Chlorophenyl)[5-morpholino-4-(2-pyridinyl)-2-thienyl]methanone
4-(4-fluorophenyl)sulfonyl-2-(2-furanyl)-N-phenyl-5-oxazolamine
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
[3,3:5,3-Terpyridin]-2-amine, 6,6-bis(trifluoromethyl)-
2,4,6,8-Tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione
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
1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]anthracene-5,10-dione
3,4a,8,10,11-pentahydroxy-1,12-dioxo-5,12a-dihydro-4H-tetracene-2-carboxamide
(2R,3S,4R,5S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexanedioate
5,5,6,6-Tetrahydroxy-4,7-bi[1H-indole-2-carboxylic acid]
4-(3-Acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-oxobutanoic acid
(2S)-2-amino-4-[[5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
1-[(E)-2-(6-carboxy-2-carboxylato-2,3-dihydropyridin-4-yl)ethenyl]-5,6-dioxo-2,3-dihydroindole-2-carboxylate
2-Hydroxypropanoyloxycarbonyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propanoate
(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
(-)-sanguinolignan A
A lignan isolated from the leaves of Piper sanguineispicum.
(-)-sanguinolignan B
A lignan isolated from the leaves of Piper sanguineispicum.
6-O-sinapoyl-D-glucono-1,5-lactone
The 6-O-sinapoyl derivative of D-glucono-1,5-lactone.
5-[(2-chlorophenoxy)methyl]-N-(4-methoxybenzylidene)-2-furohydrazide
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
N-[4-chloro-2-[(2-ethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
1-[4-(4-Morpholinyl)-2,1,3-benzoxadiazol-7-yl]-3-(4-nitrophenyl)urea
1-(2,5-Dimethoxyphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
5-chloro-N-(2-furanylmethyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide
3-[(3-chlorophenyl)methyl]-N-(2-furanylmethyl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
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.
(3E)-4-(3-acetyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoic 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-[5-hydroxy-2-methoxy-4-[(E)-3-oxobut-1-enyl]phenoxy]oxane-2-carboxylic acid
6-[3-(1,3-Benzodioxol-5-yl)-3-oxopropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(2Z,5E)-2-[(4-ethylphenyl)imino]-5-(4-hydroxy-3,5-dimethoxybenzylidene)-1,3-thiazolidin-4-one
5,6-Dimethoxysterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
SC-58125
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide
(2S)-versicolorone(2-)
An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of (2S)-versicolorone.
(-)-DCA-CC(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (-)-DCA-CC; major species at pH 7.3.
(+)-DCA-CC(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (+)-DCA-CC; major species at pH 7.3.
(7R)-7-(4-carboxylatobutanamido)cephalosporanate
Dicarboxylate anion of (7R)-7-(4-carboxybutanamido)cephalosporanic acid.
EL-102
EL-102 is a hypoxia-induced factor 1 (Hif1α) inhibitor. EL-102 induces apoptosis, inhibits tubulin polymerisation and shows activities against prostate cancer. EL-102 can be used for the research of cancer[1].
PI-103 (Hydrochloride)
PI-103 Hydrochloride is a dual PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 Hydrochloride also inhibits DNA-PK with an IC50 of 2 nM. PI-103 Hydrochloride induces autophagy[1][2][3][4]. PI-103 Hydrochloride is a dual PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 Hydrochloride also inhibits DNA-PK with an IC50 of 2 nM. PI-103 Hydrochloride induces autophagy[1][2][3][4].
(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
(2r,3r)-4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methoxy-2h,3h-furo[3,2-g]chromen-5-one
methyl 2-[(3-formyl-4-hydroxyphenyl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
(1s,17r,20r)-3,7,9,20-tetrahydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
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
5,6-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
3,4,5,7-tetrahydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaen-10-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
(3e)-4-(3-acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-hydroxybut-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
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"}
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"}