Exact Mass: 384.1393
Exact Mass Matches: 384.1393
Found 500 metabolites which its exact mass value is equals to given mass value 384.1393
,
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].
wuweizisu C
schisandrin C is a natural product found in Schisandra sphenanthera and Schisandra chinensis with data available. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
O-Ethylcubebin
O-Ethylcubebin is found in herbs and spices. O-Ethylcubebin is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). O-Ethylcubebin is found in herbs and spices.
Kanzonol N
Kanzonol N is found in herbs and spices. Kanzonol N is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol N is found in herbs and spices.
5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is found in herbs and spices. 5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is a constituent of Melilotus alba (white melilot). Constituent of Melilotus alba (white melilot). 5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is found in herbs and spices and pulses.
Glicoisoflavanone
Glicoisoflavanone is found in herbs and spices. Glicoisoflavanone is a constituent of Glycyrrhiza uralensis (Chinese licorice) Constituent of Glycyrrhiza uralensis (Chinese licorice). Glicoisoflavanone is found in herbs and spices.
12-Dehydroporson
12-Dehydroporson is found in herbs and spices. 12-Dehydroporson is a constituent of Myrica gale (bog myrtle).
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
schisandrin C
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
UVA-1
AC1L9DW8
Wuweizisu C is a tannin. Schizandrin C is a natural product found in Kadsura heteroclita, Schisandra bicolor, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
Laccaridione A
An organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by a hydroxy group at position 10, methoxy groups at positions 1 and 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases.
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
12-dehydroporson
Dodecamethylpentasiloxane
An organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism.
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
Glicoisoflavanone
rel-(7S,8S,1R,5R,6S)-Delta2,8-6-acetoxy-4-methoxy-3,4-methylenedioxy-4-oxo-8,1,7.5-neolignan
3,4,3,4-Tetramethoxy-Delta7,8-9-oxo-8.8,9.O.9-lignan|Tetra-Me ether-3,3,4,4-Tetrahydroxylign-7-en-9,9-olide
(S)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|glovanon
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-methoxy-9-[[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]-7H-furo-[3,2-g][1]benzopyran-7-one|melicotriphyllin A
4-methoxy-9-[[(2E)-6-hydroxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one|melicotriphyllin C
(S)-5,7-dihydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)isoflavanone|(S)-platyisoflavanone A
1-[8-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-4-methylpent-3-enyl angenyloate
(-)-4-hydroxybenzoicacid-4-O-[6-O-((2R)-methylbutyryl)-beta-D-glucopyranoside]
(6aS,11aS)-1,9-dimethoxy-2-(3-methylbut-2-ene-1-yl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,6a-diol
(E)-3-(3,5-dimethoxy-4-phenylpropionyloxyphenyl)prop-2-enol acetate|dichrocephol D
5-beta-D-glucopyranosyloxy-7-hydroxy-2-isopropylchromanone
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-acetylamino-7-(N-acetyl-2-aminoethylene)-1,4-benzodioxane
(S)-1-(8-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl 3-methylbut-2-enoate|5-methoxy-beta,beta-dimethylacrylalkannin|5-O-methyl-11-O-(beta,beta-dimethylacryl)alkannin
deoxyanhydro-4-isopodophyllol|Deoxyanhydropodophyllol
(5S,6S,7R)-5,6,7,8-tetrahydro-4-methoxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethylnaphtho[2,3-d][1,3]dioxole|kadsurindutin C
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
schisandrin C
Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
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-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [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
O-Ethylcubebin
Kanzonol N
(2S,3R)-5-METHOXY-2-(((4-METHYLBENZOYL)OXY)METHYL)TETRAHYDROFURAN-3-YL 4-METHYLBENZOATE
2-[4-(1,3-dioxolan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine
methyl 2-deoxy-3,5-di-o-p-toluoyl-d-*rib ofuranoside
Methyl 2-deoxy-3,5-di-O-toluoyl-D-ribofuranoside is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
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
[2-BENZYL-[(2-METHOXY-BENZENESULFONYL)-AMINO]-ETHYL]-DIMETHYLAMINE HYDROCHLORIDE
(1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate
1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate
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].
bis(ethyl acetoacetato)(2,4-pentanedionato)aluminium
(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
Methyl 2-deoxy-beta-D-erythro-pentopyranoside bis(4-methylbenzoate)
Decitabine Impurity 6 (alpha-D-Erythro-Pentopyranoside-Methyl-2-Deoxy-bis(4-methylbenzoate))
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.
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
GSK3987 is a pan LXRα/β agonist with EC50s of 50 nM, 40 nM for LXRα-SRC1 and LXRβ-SRC1, respectively. GSK3987 increases the expression of ABCA1 and SREBP-1c. GSK3987 induces cellular cholesterol efflux and triglyceride accumulation[1].
N-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
4-{[4-(1-Cyclopropyl-2-Methyl-1h-Imidazol-5-Yl)pyrimidin-2-Yl]amino}-N-Methylbenzenesulfonamide
Sarizotan hydrochloride
C26170 - Protective Agent > C1509 - Neuroprotective Agent
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
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
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
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-furancarboxamide
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
N-(1H-benzimidazol-2-ylmethyl)-3-(1-pyrrolidinylsulfonyl)benzamide
N-(1H-benzimidazol-2-ylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(2-hydroxyethyl)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
2-[3-(3-methoxyphenyl)-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
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.
N-(cyclopropylmethyl)-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
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
1-[(1R,2aR,8bR)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1R,2aS,8bS)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
N-(cyclopropylmethyl)-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
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
1-[(1S,2aS,8bS)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1S,2aR,8bR)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
(1S,5R)-3-(3-methoxyphenyl)sulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
dihydrofuro-7-O-methylluteone
A a methoxyisoflavone that is a 7-methoxyisoflavone compound arising from enzyme-mediated epoxidation/cyclisation of 7-O-methylluteone.
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-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
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.
BMY-14802 (hydrochloride)
BMY-14802 hydrochloride (BMY-14802-1) is a selective and orally active sigma receptor antagonist with an IC50 of 112 nM. BMY-14802 hydrochloride is also a 5-HT1A and adrenergic α1 receptors agonist. BMY-14802 hydrochloride has antipsychotic effects[1][2][3].
Y16
Y16 is a specific inhibitor of Leukemia-associated Rho guanine nucleotide exchange factor (LARG) with a Kd value of 76 nM. Y16 is active in blocking the interaction of LARG and related G-protein-coupled Rho GEFs with RhoA. Y16 shows no detectable effect on other diffuse B-cell lymphoma (Dbl) family Rho GEFs, Rho effectors, or a RhoGAP[1].
(1r,2s,5s,6s)-5-[(benzoyloxy)methyl]-2,5,6-trihydroxycyclohex-3-en-1-yl benzoate
3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaene
(1r,4s,5r,6r)-3-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
7-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
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
9-[(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy]-4-methoxyfuro[3,2-g]chromen-7-one
(1s,9s,10s)-5-isopropyl-3,4-dimethoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6,13-tetraene-8,12,15-trione
[(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
4-methoxy-6-{4-methoxy-6,7-dimethyl-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl}-2h-1,3-benzodioxole
(1s)-1-(8-hydroxy-5-methoxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbut-2-enoate
(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-[6,7-bis(methoxymethyl)-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl]-2h-1,3-benzodioxole
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-2,7-dimethyl-4a,8a-dihydrochromen-4-one
(2r)-5,10-dihydroxy-2-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-4-oxo-1,3-dihydroanthracen-2-yl acetate
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
7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
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
(3s)-5-hydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-methoxy-2,3-dihydro-1-benzopyran-4-one
n-{2-[2-carbamimidamido-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}guanidine
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
(10s,11r,15r)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene
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'-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"}
6β-acetylteuscordin
{"Ingredient_id": "HBIN012255","Ingredient_name": "6\u03b2-acetylteuscordin","Alias": "NA","Ingredient_formula": "C22H24O6","Ingredient_Smile": "CC1CC(C23COC(=O)C2=CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "525","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","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"}