Exact Mass: 258.0537926
Exact Mass Matches: 258.0537926
Found 500 metabolites which its exact mass value is equals to given mass value 258.0537926,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mesuaxanthone A
Mesuaxanthone A is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at bpositions 1 and 5 and a methoxy group at position 3. It has a role as a plant metabolite. It is a member of xanthones, a polyphenol and an aromatic ether. Mesuaxanthone A is a natural product found in Calophyllum inophyllum, Hypericum chinense, and other organisms with data available. A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at bpositions 1 and 5 and a methoxy group at position 3.
Thalidomide
A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppresive and anti-angiogenic activity. It inhibits release of tumor necrosis factor-alpha from monocytes, and modulates other cytokine action. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 427; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4434; ORIGINAL_PRECURSOR_SCAN_NO 4432 CONFIDENCE standard compound; INTERNAL_ID 427; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4445 CONFIDENCE standard compound; INTERNAL_ID 427; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4440; ORIGINAL_PRECURSOR_SCAN_NO 4437 CONFIDENCE standard compound; INTERNAL_ID 427; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4431; ORIGINAL_PRECURSOR_SCAN_NO 4428 CONFIDENCE standard compound; INTERNAL_ID 427; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4457; ORIGINAL_PRECURSOR_SCAN_NO 4455 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 427; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4445 CONFIDENCE standard compound; INTERNAL_ID 427; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4523; ORIGINAL_PRECURSOR_SCAN_NO 4521 C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D006133 - Growth Substances > D006131 - Growth Inhibitors D009676 - Noxae > D013723 - Teratogens Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Imidazoleacetic acid riboside
Imidazoleacetic acid riboside is a metabolite of imidazoleacetic acid (itself histamines oxidative metabolite). (PMID: 7616240). In kidney glomeruli, histamine is predominantly catabolized to acid metabolites of the diamine oxidase (histaminase) pathway, imidazoleacetic acid and Imidazoleacetic acid riboside. (PMID: 7616240). Imidazoleacetic acid riboside is a metabolite of imidazoleacetic acid (itself histamines oxidative metabolite). (PMID: 7616240)
Gentisin
Gentisin is found in alcoholic beverages. Gentisin is a pigment from root of Gentiana lutea (yellow gentian
Isogentisin
Isogentisin is found in alcoholic beverages. Isogentisin is isolated from roots of Gentiana lutea (yellow gentian
Northienamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one
5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one is found in coffee and coffee products. 5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one is isolated from seeds of Cassia tora (charota). Isolated from seeds of Cassia tora (charota). Norrubrofusarin is found in coffee and coffee products, herbs and spices, and pulses.
3-CARBETHOXYPSORALEN
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Alternariol
Alternariol is found in mushrooms. Alternariol occurs in mycelium of Alternaria tenuis responsible for alternaria cone disorder in hops and fruit spot on papaya (Carica papaya) and Passiflora species.Alternariol is a toxic metabolite of Alternaria fungi. It is an important contaminant in cereals and fruits D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
Salsalate
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents
9-Fluorenylmethyl chloroformate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Lofexidine
Lofexidine is an alpha2-adrenergic receptor agonist. It can be used as a short acting anti-hypertensive, but is mostly used to help relieve symptoms of heroin or opiate withdrawal in opiate dependency. It is approved in the United Kingdom, but is still undergoing clinical trials in the United States. N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Lofexidine is a selective α2-receptor agonist, commonly used to alleviate the physical symptoms of heroin and other types of opioid withdrawal[1][2].
3-Methyluridine
3-Methyluridine is a modified nucleoside of cellular RNA. All modifications are formed post-transcriptionally in RNA from the normal nucleosides by modifying enzymes, especially specific RNA-methyltransferases and RNA-synthetases. Due to the lack of specific phosphorylases for modified nucleosides they cannot be recycled for synthesizing RNA, so they are excreted quantitatively in urine. (PMID 15906010) [HMDB] 3-Methyluridine is a modified nucleoside of cellular RNA. All modifications are formed post-transcriptionally in RNA from the normal nucleosides by modifying enzymes, especially specific RNA-methyltransferases and RNA-synthetases. Due to the lack of specific phosphorylases for modified nucleosides they cannot be recycled for synthesizing RNA, so they are excreted quantitatively in urine. (PMID 15906010). 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2]. 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2].
Alfafuran
Alfafuran is found in pulses. Alfafuran is a stress metabolite of Medicago sativa (alfalfa). Stress metabolite of Medicago sativa (alfalfa). Alfafuran is found in pulses.
(±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde
(±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde is found in herbs and spices. (±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde is a constituent of Melissa officinalis (lemon balm). Constituent of Melissa officinalis (lemon balm). (±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde is found in tea and herbs and spices.
Salsalate
Salsalate is a nonsteroidal anti-inflammatory agent for oral administration. Salsalates mode of action as an anti-inflammatory and antirheumatic agent may be due to inhibition of synthesis and release of prostaglandins. The usefulness of salicylic acid, the active in vivo product of salsalate, in the treatment of arthritic disorders has been established. In contrast to aspirin, salsalate causes no greater fecal gastrointestinal blood loss than placebo. Salsalate is readily soluble in the small intestine where it is partially hydrolyzed to two molecules of salicylic acid. A significant portion of the parent compound is absorbed unchanged and undergoes rapid esterase hydrolysis in the body. The parent compound has an elimination half-life of about 1 hour. Salicylic acid (the active metabolite) biotransformation is saturated at anti-inflammatory doses of salsalate. Such capacity limited biotransformation results in an increase in the half-life of salicylic acid from 3.5 to 16 or more hours. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents
Porric acid C
Porric acid C is found in onion-family vegetables. Porric acid C is a constituent of the bulbs of Allium porrum (leek)
Cysteinyl-Histidine
Cysteinyl-Histidine is a dipeptide composed of cysteine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylcysteine
Histidylcysteine is a dipeptide composed of histidine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2'-O-Methyluridine
2-O-Methyluridine belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. 2-O-Methyluridine was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
C14H11FN2S (258.06269380000003)
9-Fluorenylmethyl chloroformate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
4'-Thiothymidine
5-Hydroxymethyl-2'-deoxyuridine
arabinofuranosylthymine
Histidinyl-Cysteine
Gentisin
Gentisin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. It has a role as a plant metabolite. It is a member of xanthones, a polyphenol and an aromatic ether. Gentisin is a natural product found in Pterocarpus santalinus, Gentiana orbicularis, and other organisms with data available. See also: Menyanthes trifoliata leaf (part of). A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. Gentisin is found in alcoholic beverages. Gentisin is a pigment from root of Gentiana lutea (yellow gentian
U 50228
N1-methyl-pseudouridine (1-Methylpseudouridine), a methylpseudouridine, outperforms 5 mC and 5 mC/N1-methyl-pseudouridine in translation. N1-methyl-pseudouridine in mRNA enhances translation through eIF2α-dependent and independent mechanisms by increasing ribosome density[1].
Porric acid C
1,7-Dihydroxy-4-methoxyxanthone
A member of the class of xanthones that is 9H-xanthene substituted by hydroxy groups at positions 1 and 7, a methoxy group at position 4 and an oxo group at position 9. It has been isolated from the stems of Cratoxylum cochinchinense.
Ethofumesate-2-hydroxy
C11H14O5S (258.05619140000005)
CONFIDENCE standard compound; UCHEM_ID 4196
CRATOXYARBORENONE F
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 6 and a methoxy group at position 4. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line.
1-Me ether-1,5,6-Trihydroxyxanthone|5,6-dihydroxy-1-methoxyxanthone
5-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione
(E)-3-(4-chlorophenyl)-3-phenylacrylic acid|3c-Phenyl-3t-(4-chlor-phenyl)-acrylsaeure|3c-phenyl-3t-(4-chloro-phenyl)-acrylic acid
(+)-12-acetoxy-13-chloro-tridec-10t-ene-2,4,6,8-tetrayne|12-Acetoxy-13-chlor-10t-tridecen-2.4.6.8-tetrain|Ac-1-Chloro-3-tridecene-5, 7, 9, 11-tetrayn-2-ol
12-Chlor-13-acetoxy-tridecaen-(10)-tetrain-(2,4,6,8)|13-acetoxy-12-chloro-tridec-10-ene-2,4,6,8-tetrayne|2-Chlor-1-acetoxy-tridecatetrain-(5,7,9,11)-en-(3)
3,9-Dihydroxy-8-methoxy-6H-dibenzo[b,d]pyran-6-one
Globosuxanthone C
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy group at positions 1 and 8 and a methoxy group at position 2. It has been isolated from Chaetomium globosum.( Compound class : xanthenone)
1-Methyl-5-methoxy-8-hydroxynaphtho[2,3-c]furan-4,9-dione
Isogentisin
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7.
1-Methyl-5-hydroxy-8-methoxynaphtho[2,3-c]furan-4,9-dione
1,4-Dihydroxy-7-methoxy-xanthen-9-on|1,4-dihydroxy-7-methoxy-xanthen-9-one|1,4-dihydroxy-7-methoxyxanthone
STAT3-IN-14
5-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione is a naphthofuran that is naphtho[2,3-b]furan-4,9-dione substituted by a hydroxy group at position 5 and a 1-hydroxyethyl group at position 2 (the S stereoisomer). Isolated from Tabebuia impetiginosa and Tabebuia avellanedae, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a naphthofuran, a member of phenols, a secondary alcohol and a member of p-quinones. 5-Hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione is a natural product found in Handroanthus impetiginosus with data available. A naphthofuran that is naphtho[2,3-b]furan-4,9-dione substituted by a hydroxy group at position 5 and a 1-hydroxyethyl group at position 2 (the S stereoisomer). Isolated from Tabebuia impetiginosa and Tabebuia avellanedae, it exhibits antineoplastic activity.
Fusarindin
Norlichexanthone is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus. It has a role as an antimalarial and a fungal metabolite. It is a member of xanthones and a polyphenol. It is a conjugate acid of a norlichexanthone(1-). Norlichexanthone is a natural product found in Arthrinium, Wardomyces anomalus, and other organisms with data available. A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus.
5,6-Dimethoxynaphtol[2,3-b]furan-4,9-dione
[Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_50eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_40eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_30eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_20eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_10eV_CB000048.txt
3-Methyluridine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.102 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.109 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2]. 3-Methyluridine (N3-Methyluridine) is a modified RNA nucleoside. 3-Methyluridine is often presents as?RNA modification which can be detected in 23S?rRNA?of?archaea, 16S and 23S rRNA of?eubacteria, and 18S, 25S, and 28S of eukaryotic ribosomal RNAs[1][2].
thalidomide
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D006133 - Growth Substances > D006131 - Growth Inhibitors D009676 - Noxae > D013723 - Teratogens Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Spongothymidine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
Alternariol
A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9. It is the most important mycotoxin produced by the black mould Alternaria species, which are the most common mycoflora infecting small grain cereals worldwide. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors CONFIDENCE Reference Standard (Level 1)
7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
Ribothymidine
A methyluridine having a single methyl substituent at the 5-position on the uracil ring. 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids. 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids.
1-Methylpseudouridine
N1-methyl-pseudouridine (1-Methylpseudouridine), a methylpseudouridine, outperforms 5 mC and 5 mC/N1-methyl-pseudouridine in translation. N1-methyl-pseudouridine in mRNA enhances translation through eIF2α-dependent and independent mechanisms by increasing ribosome density[1].
5-Methyluridine
CONFIDENCE standard compound; INTERNAL_ID 320 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids. 5-Methyluridine is a is an endogenous methylated nucleoside found in human fluids.
Lofexidine
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Lofexidine is a selective α2-receptor agonist, commonly used to alleviate the physical symptoms of heroin and other types of opioid withdrawal[1][2].
7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one_major
2-(4-amino-5-chloro-2-methoxybenzamido)acetic acid
2-(3,4-dihydroxyphenyl)-2H-1,3-benzodioxole-5-carbaldehyde
1-dimethylcarbamoyl-4-(2-sulfoethyl)pyridinium betaine
6-(2,2-DIMETHYL-PROPIONYLAMINO)-PYRIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
4-methyl-2-(4-methyl-3,5-dioxo-1,2,4-oxadiazolidine-2-carbonyl)-1,2,4-oxadiazolidine-3,5-dione
N-Benzyl-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine
3-AMINO-6-METHYL-THIENO[2,3-B ]QUINOLINE-2-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
3-AMINO-8-METHYL-THIENO[2,3-B]QUINOLINE-2-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
4-(Diethoxyphosphinyl)benzoic Acid
C11H15O5P (258.06570700000003)
6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine-2,4(1H,3H)-dione
4-thiothymidine
4-Thiothymidine 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].
cloridarol
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
1-METHYL-3-PHENYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
2-[2-Oxo-2-(4-fluorophenyl)ethyl]benzoic acid
C15H11FO3 (258.06921880000004)
2-(5-chloro-4-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Methyl 5-(ethylsulfonyl)-2-methoxybenzoate
C11H14O5S (258.05619140000005)
1,3,5-Trimethoxy-2,4-dinitrobenzene
C9H10N2O7 (258.04879900000003)
(6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)ACETIC ACID
C13H10N2O2S (258.04629600000004)
(4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
C11H15O5P (258.06570700000003)
4-CHLORO-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
4-CYCLOHEXYLBENZENE-1-SULFONYL CHLORIDE
C12H15ClO2S (258.04812400000003)
3-(BENZO[D][1,3]DIOXOL-5-YL)-5-HYDROXYBENZOIC ACID
1-(Phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
C13H10N2O2S (258.04629600000004)
3-(4-HYDROXY-5-ISOPROPYL-6-OXO-1,6-DIHYDRO-PYRIMIDIN-2-YLSULFANYL)-PROPIONIC ACID
2-C-Methyluridine
2'-C-methyluridine is a uridine analog. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1].
6-(3-METHOXY-PHENYL)-IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
C13H10N2O2S (258.04629600000004)
3-(4-(METHOXYCARBONYL)PHENYL)PROPANE-1-SULFONIC ACID
C11H14O5S (258.05619140000005)
2-Cyanophenylboronic acid MIDA ester
C12H11BN2O4 (258.08118360000003)
3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile
C12H11BN2O4 (258.08118360000003)
(4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)Methanol
2-MERCAPTO-4-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBONITRILE
6-chloro-3-nitroso-2-phenylimidazo[1,2-b]pyridazine
4-[(N,N-DIMETHYLGLYCYL)AMINO]BENZOIC ACID HYDROCHLORIDE
3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-5-METHOXYPYRIDINE
3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid
4-[4-(1H-IMIDAZOL-1-YL)PHENYL]-2,4-DIOXO-BUTANOIC ACID
2,6-bis-[2,2,2-trifluoro-eth-(e)-ylidene]-cyclohexanone
5-[4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-2-FURALDEHYDE
2-(2-((tert-Butoxycarbonyl)amino)thiazol-5-yl)acetic acid
Potassium (4-methoxy)benzyloxymethyltrifluoroborate
1-(Phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridine
C13H10N2O2S (258.04629600000004)
1-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine
C13H10N2O2S (258.04629600000004)
ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
2-IMINO-α-PHENYL-3-THIAZOLIDINEETHANOL HYDROCHLORIDE
7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine
2-[(6-METHOXY-3-NITRO-2-PYRIDYL)THIO]PROPANOIC ACID
2-CHLORO-3-(3,5-DIMETHYL-PYRAZOL-1-YL)-QUINOXALINE
1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
C13H10N2O2S (258.04629600000004)
Sulnidazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
3-((5-Bromopyridin-2-yl)oxy)-N,N-dimethylpropan-1-amine
Ethyl 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
N-(4-[[(2-HYDROXYETHYL)AMINO]SULFONYL]PHENYL)ACETAMIDE
2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester
C11H14O5S (258.05619140000005)
3-(FLUOROMETHYL)-1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
3,3′-Dichlorobenzidine D6 (ring D6)
C12H4Cl2D6N2 (258.05976306800005)
4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile
Triethyl 2-chloro-2-phosphonoacetate
C8H16ClO5P (258.04238460000005)
5-(6-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-FURAN-2-CARBALDEHYDE
C13H10N2O2S (258.04629600000004)
Ethyl 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
4-Hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carbohydrazide
C10H14N2O2S2 (258.04966640000004)
5-(4-METHYLPHENYL)THIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE
2-CHLORO-N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-ISONICOTINAMIDE
Dimethyl 2-oxo-3-phenoxypropylphosphonate
C11H15O5P (258.06570700000003)
2-[[(TERT-BUTOXYCARBONYL)AMINO]METHYL]THIAZOLE-4-CARBOXYLIC ACID
2-[(tert-butoxycarbonylamino)methyl]thiazole-5-carboxylic acid
3-METHYL-1-PHENYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
2-DIPHENYLPHOSPHINOETHYL-FUNCTIONALIZED SILICA GEL
2-(Trimethylsilyl)ethyl 3-Nitro-1H-1,2,4-triazole-1-carboxylate
3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
8-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
2-(benzo[d]thiazol-2-ylamino)-6-methylpyrimidin-4-ol
ethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate
5-Hydroxymethyl-2-deoxyuridine
D000970 - Antineoplastic Agents 5-Hydroxymethyl-2'-deoxyuridine is a nucleoside analog. 5-Hydroxymethyl-2'-deoxyuridine inhibits the replication of multiple human leukemia cell lines with IC50 values of 1.7-5.8 μM. 5-Hydroxymethyl-2'-deoxyuridine prolongs the survival of mice carrying L1210 leukemia. 5-Hydroxymethyl-2'-deoxyuridine can be used for the research of cell replication and leukemia[1][2][3].
3-OXO-7-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINOXALINE-2-CARBOXYLIC ACID
5-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID
5-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID
Benzoic acid, 4-(cyclopropylMethoxy)-3-(difluoroMethoxy)-
4-Trifluoromethyl-5-azaindole-2-carboxylic acid ethyl ester
N-((5-BROMO-3-METHOXY-2H-PYRROL-2-YLIDENE)METHYL)-N-ETHYLETHANAMINE
Benzyl (dimethoxyphosphoryl)acetate
C11H15O5P (258.06570700000003)
METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)THIAZOLE-5-CARBOXYLATE
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
C14H11FN2S (258.06269380000003)
1-beta-D-Arabinofuranosylthymine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde
4-(2-furanylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
8-Hydroxy-2-(1-hydroxyethyl)benzo[f][1]benzofuran-4,9-dione
Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
C11H14O3S2 (258.03843340000003)
N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide
C13H10N2O2S (258.04629600000004)
2-Hydroxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
C11H14O5S (258.05619140000005)
Diethoxy-thioxo-trimethylsilylsulfanyl-phosphorane
[(2-Amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid
(7S)-4,7-Dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide
D-1-(4-Chlorophenyl)-2-(acetamido)ethane boronic acid
L-1-(4-Chlorophenyl)-2-(acetamido)ethane boronic acid
1-[3-Hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
D-galactosamine 6-phosphate(1-)
An organophosphate oxoanion that is the conjugate base of D-galactosamine 6-phosphate, obtained by deprotonation of the phosphate OH groups and protonation of the 2-amino group. Major structure at pH 7.3.
2-ammonio-2-deoxy-1-O-phosphonato-alpha-D-glucopyranose
2-ammonio-2-deoxy-D-glucopyranose 6-phosphate(1-)
An organophosphate oxoanion that is the conjugate base of 2-amino-2-deoxy-D-glucopyranose 6-phosphate. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Sn-glycero-3-phosphoserine(1-)
A glycerol 1-phosphoserine(1-) in which the glycero portion has R-configuration and the serine moiety has L-configuration.
[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid
N-1-Naphthalenyl-1,2-ethanediamine dihydrochloride
1-Ethyl-3-(4-methylphenyl)sulfonylthiourea
C10H14N2O2S2 (258.04966640000004)
Glycerol 1-phosphoserine(1-)
A organophosphate oxoanion that is the conjugate base of glycerol 1-phosphoserine; major species at pH 7.3.
3-Methyl-7,9,10-trihydroxy-1H-naphtho[2,3-c]pyran-1-one
4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone
2-[(2-Furanylmethylthio)methyl]-5-methylimidazo[1,2-a]pyridine
5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidine-4-thione
N-(2-Pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4-Oxo-3-pyrimido[2,1-b][1,3]benzoxazolecarboxylic acid ethyl ester
(5Z)-3-ethyl-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
C10H14N2O2S2 (258.04966640000004)
5-Chloro-2-methoxy-3,7-bis(methoxymethyl)cyclohepta-2,4,6-trien-1-one
Norrubrofusarin
A member of the class of benzochromenones that is 4H-benzo[g]chromen-4-one carrying a methyl group at position 2 and a hydroxy group at positions 5, 6 and 8, respectively.
alpha-D-glucosamine 1-phosphate(1-)
Conjugate base of alpha-D-glucosamine 1-phosphate.
alpha-D-glucosamine 6-phosphate(1-)
A 2-ammonio-2-deoxy-D-glucopyranose 6-phosphate in which the anomeric centre has alpha-configuration.
8-hydroxy-2-(1-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione
A naphthofuran that is naphtho[2,3-b]furan-4,9-dione substituted by a hydroxy group at position 8 and a 1-hydroxyethyl group at position 2. Isolated from Tabebuia impetiginosa and Kigelia pinnata, it exhibits antineoplastic activity.
(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one
An aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by a chloro and hexanoyl groups. It is an intermediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1) which is a major inducer of stalk cell differentiation.
nor-toralactone
A naphtho-gamma-pyrone that is 1H-benzo[g]isochromen-1-one substituted by a methyl group at position 3 and hydroxy groups at positions 7, 9 and 10.
SCD1/5-IN-1
SCD1/5-IN-1 (Compound 10) is a SCD1/5 inhibitor. SCD1/5-IN-1 can be used for research of neurological disease[1].
Zileuton (sodium)
Zileuton sodium (A 64077 sodium) is a potent and selective inhibitor of 5-lipoxygenase, exhibiting inflammatory activities.
5-hydroxy-2-[(1r)-1-hydroxyethyl]naphtho[2,3-b]furan-4,9-dione
8-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione
5-acetyl-3-amino-1,4-dioxonaphthalene-2-carboximidic acid
(3r,5r)-7-chloro-3-hydroxy-2,2,8-trimethyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione
(9r)-3-acetyl-5,9-dihydroxy-9h-naphtho[2,3-c]furan-4-one
(9s)-3-acetyl-5,9-dihydroxy-9h-naphtho[2,3-c]furan-4-one
7-chloro-3-hydroxy-2,2,8-trimethyl-1-oxaspiro[4.5]dec-7-ene-6,9-dione
2-amino-1-(methylsulfanyl)phenoxazin-3-one
C13H10N2O2S (258.04629600000004)
1,3-dihydroxy-2-methoxy xanthone
{"Ingredient_id": "HBIN001184","Ingredient_name": "1,3-dihydroxy-2-methoxy xanthone","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15120","TCMID_id": "6008","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,5,8-trihydroxy-3-methoxy xanthones
{"Ingredient_id": "HBIN001596","Ingredient_name": "1,5,8-trihydroxy-3-methoxy xanthones","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43026","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,4,7- Trihydroxy-5-Methyl fluorenone
{"Ingredient_id": "HBIN004265","Ingredient_name": "2,4,7- Trihydroxy-5-Methyl fluorenone","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)C(=O)C3=CC(=CC(=C32)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42553","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,7-dihydroxy-1-methoxyxanthone
{"Ingredient_id": "HBIN005006","Ingredient_name": "2,7-dihydroxy-1-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6012","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}