Exact Mass: 224.0869
Exact Mass Matches: 224.0869
Found 500 metabolites which its exact mass value is equals to given mass value 224.0869,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flavanone
Flavonoids (or bioflavonoids) (from the Latin word flavus meaning yellow), also collectively known as Vitamin P and citrin, are a class of plant secondary metabolites or yellow pigments having a structure similar to that of flavones. Flavonoids is found in many foods, some of which are blackcurrant, wild celery, rose hip, and turmeric. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1]. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1].
3-Hydroxyl kyneurenine
Hydroxykynurenine is a free radical generator and a bioprecursor quinolinic acid which is a endogenous excitotoxin (PMID 16697652). It is a product of enzyme kynurenine 3-monooxygenase in the tryptophan catabolism pathway (Reactome http://www.reactome.org). [HMDB] Hydroxykynurenine is a free radical generator and a bioprecursor quinolinic acid which is a endogenous excitotoxin (PMID 16697652). It is a product of enzyme kynurenine 3-monooxygenase in the tryptophan catabolism pathway (Reactome http://www.reactome.org). Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA12_3-OH-kynurenine_pos_20eV_1-4_01_802.txt [Raw Data] CBA12_3-OH-kynurenine_pos_10eV_1-4_01_801.txt [Raw Data] CBA12_3-OH-kynurenine_pos_50eV_1-4_01_805.txt [Raw Data] CBA12_3-OH-kynurenine_pos_40eV_1-4_01_804.txt [Raw Data] CBA12_3-OH-kynurenine_pos_30eV_1-4_01_803.txt C26170 - Protective Agent > C275 - Antioxidant KEIO_ID H050; [MS3] KO009001 KEIO_ID H050; [MS2] KO009000 KEIO_ID H050
Stavudine
Stavudine is only found in individuals that have used or taken this drug. It is a dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV. [PubChem]Stavudine inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Stavudine (d4T) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Stavudine has activity against HIV-1 and HIV-2. Stavudine also inhibits the replication of mitochondrial DNA (mtDNA). Stavudine reduces NLRP3 inflammasome activation and modulates Amyloid-β autophagy. Stavudine induces apoptosis[1][2][3][4].
4-Hydroxychalcone
4'-Hydroxychalcone is a chalcone isolated from licorice root, with hepatoprotective activity. 4'-Hydroxychalcone inhibits TNFα-induced NF-κB activation via proteasome inhibition. 4'-Hydroxychalcone induces a rapid potassium release from mitochondrial vesicles and causes deterioration of respiratory control and oxidative phosphorylation of isolated rat liver mitochondria[1][2][3].
5-Hydroxykynurenine
5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28]. [HMDB] 5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28].
4-Hydroxychalcone
4-Hydroxychalcone is found in herbs and spices. 4-Hydroxychalcone is a constituent of Glycyrrhiza glabra (licorice) roots 4-Hydroxychalcone is a chalcone metabolite with anti-angiogenic and anti-inflammatory activities. 4-Hydroxychalcone suppresses angiogenesis by suppression of growth factor pathway with no signs of cytotoxicity[1]. 4-Hydroxychalcone inhibits TNF-α induced NF-κB pathway activation and activates BMP signaling, reduces resistant hypertension (RH) by attenuating hyperaldosteronism and renal injury in mice[2].
Olivetolic acid
A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
L-3-Hydroxykynurenine
L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474) [HMDB] L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474).
Flavanone
Annotation level-1 Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1]. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1].
Flavanone
Flavanone is the simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. It derives from a hydride of a flavan. Flavanone is a natural product found in Annona muricata, Ginkgo biloba, and other organisms with data available. The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1]. Flavanone is a naturally occurring flavone. Flavanone has inhibitory activity for human estrogen synthetase (aromatase)[1].
Dhelwangin
Dhelwangin is an aromatic ketone. Dhelwangin is a natural product found in Pogostemon cablin with data available. Dhelwangin is found in herbs and spices. Dhelwangin is isolated from leaves of Pogostemon cablin (patchouli Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2]. Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2].
Diplosporin
Epi-diplosporin is a metabolite of Diplodia macrospora isolated from infected maize. Metabolite of Diplodia macrospora isolated from infected maize
3',4',5'-Trimethoxycinnamyl alcohol
3,4,5-Trimethoxycinnamyl alcohol is found in herbs and spices. 3,4,5-Trimethoxycinnamyl alcohol is a constituent of Myristica fragrans (nutmeg) and other plant species. Constituent of Myristica fragrans (nutmeg) and other plant subspecies 3,4,5-Trimethoxycinnamyl alcohol is found in herbs and spices.
N-Methoxy-1-vinyl-beta-carboline
N-Methoxy-1-vinyl-beta-carboline is an alkaloid from Picrasma excelsa (Jamaican quassiawood
Isoacoramone
Constituent of Acorus calamus (sweet flag). Isoacoramone is found in herbs and spices and root vegetables. Isoacoramone is found in herbs and spices. Isoacoramone is a constituent of Acorus calamus (sweet flag).
Temurin
Temurin is a methyl derivative of uric acid, found occasionally in human urine. Temurin is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID: 11712316, 15833286, 3506820, 15013152). Isolated from tea
L-Nicotianine
L-Nicotianine is found in mushrooms. L-Nicotianine is a constituent of Lentinus edodes (shiitake)
Vanillin 1,2-butylene glycol acetal
Vanillin 1,2-butylene glycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Propyl 1-(propylthio)propyl disulfide
Propyl 1-(propylthio)propyl disulfide is found in onion-family vegetables. Propyl 1-(propylthio)propyl disulfide is a constituent of Allium cepa (onion) and Allium fistulosum (Welsh onion). Constituent of Allium cepa (onion) and Allium fistulosum (Welsh onion). Propyl 1-(propylthio)propyl disulfide is found in garden onion and onion-family vegetables.
2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol is present in food as an artifact arising from reaction of
6-[(1Z,2Z)-3-Hydroxy-3-phenyl-2-propene-1-ylidene]-2,4-cyclohexadiene-1-one
8-(2-Hydroxyethyl)theophyline
Dibenzoylmethane
Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1]. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].
56W6M8HQ2G
Senkyunolide h is a member of 2-benzofurans. (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1]. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1].
12PJ07292V
1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel- is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. See also: Angelica sinensis root oil (part of). Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2]. Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2].
3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
Isoflavanone
Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.
2-Hydroxy-4-(2-hydroxyethoxy)-2-methylpropiophenone
Dibenzoylmethane
Dibenzoylmethane is a beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. It has a role as an antineoplastic agent, a metabolite and an antimutagen. It is a beta-diketone and an aromatic ketone. Dibenzoylmethane is a natural product found in Acca sellowiana with data available. A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1]. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].
7-(2-Hydroxyethyl)theophylline
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methyl-1-propanone
(3R,4S)-3,4-dihydroxy-6-methoxy-2,2-dimethyl-chroman|trans-3,4-Dihydroxy-6-methoxy-2,2-dimethyl-chroman
(beta,beta-Dihydroxy-isopropyl)-beta-D-xylopyranosid|(beta,beta-dihydroxy-isopropyl)-beta-D-xylopyranoside|2-Desoxyglycer-2-yl-beta-D-xylopyranosid|2-O-beta-D-Xylopyranosylglycerin|<2-Hydroxy-1-hydroxymethyl-aethyl>-beta-D-xylopyranosid
Et ester-6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid
4-Methyl-5-(1-methyl-2-formyloxypropyl)-resorcin|O2-Formyl-3-(3,5-Dihydroxy-2-methylphenyl)-2-butanol
7-acetoxy-1-phenylhept-5E-ene-1,3-diyne|Ac-(E)-7-Phenyl-2-heptene-4,6-diyn-1-ol|Acetat des 1-Phenyl-hepten-(5)-trans-diin-(1.3)-ols-(7)|acetic acid-(7-phenyl-hept-2t-ene-4,6-diynyl ester)|Essigsaeure-(7-phenyl-hept-2t-en-4,6-diinylester)|trans-1-Phenyl-hepten-(5)-diin-(1,3)-yl-(7)-acetat
5-[5-[(R)-1-methoxyethyl]furan-2-yl]dihydrofuran-2(3H)-one
(4R)-2,4-dimethyl-4-(1-acetyl-3-oxobutyl)-2-butenolide
2-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one
butyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dienyl)acetate
(3SR,4RS)-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-2H-chromene-3,4-diol
(+)-(7S,8R)-4-hydroxy-3-methoxy-1,2,3,4,5,6,7-heptanorlign-8-one
4-(4-hydroxy-3-methylbutyloxy)benzoic acid|turraeanthin C
cis,cis-Tridecatrien-(2,10,12)-triin-(4,6,8)-yl-acetat
3-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one
6R-hydroxy-3-[E-3-hydroxy-3-methyl-but-1-enyl]-6-methylcyclohex-2-ene-1,4-dione|acrimine B
azuleno[6,5-b]furan-5-carboxaldehyde, 3,8-dimethyl-
3,5-Dimethyl-4-methylenenaphtho[2,3-b]furan-9(4H)-one
Chalcone, 3
4-hydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. It has a role as a plant metabolite and an antihypertensive agent. It is a member of chalcones and a member of phenols. It is functionally related to a trans-chalcone. A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. 4-Hydroxychalcone is a chalcone metabolite with anti-angiogenic and anti-inflammatory activities. 4-Hydroxychalcone suppresses angiogenesis by suppression of growth factor pathway with no signs of cytotoxicity[1]. 4-Hydroxychalcone inhibits TNF-α induced NF-κB pathway activation and activates BMP signaling, reduces resistant hypertension (RH) by attenuating hyperaldosteronism and renal injury in mice[2].
Vasicine HCl
Vasicine hydrochloride (peganine hydrochloride) is a quinazoline alkaloid isolated from Justicia adhatoda. Vasicine (peganine) possesses anti- tuberculosis activity[1]. Vasicine hydrochloride (peganine hydrochloride) is a quinazoline alkaloid isolated from Justicia adhatoda. Vasicine (peganine) possesses anti- tuberculosis activity[1].
Spectrum5_000333
4-hydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. It has a role as an anti-inflammatory agent and an antineoplastic agent. It is a member of chalcones and a member of phenols. 4'-Hydroxychalcone is a chalcone isolated from licorice root, with hepatoprotective activity. 4'-Hydroxychalcone inhibits TNFα-induced NF-κB activation via proteasome inhibition. 4'-Hydroxychalcone induces a rapid potassium release from mitochondrial vesicles and causes deterioration of respiratory control and oxidative phosphorylation of isolated rat liver mitochondria[1][2][3].
3-Hydroxykynurenine
A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. C26170 - Protective Agent > C275 - Antioxidant MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; VCKPUUFAIGNJHC-UHFFFAOYSA-N_STSL_0007_3-Hydroxy-DL-Kynurenine_8000fmol_180416_S2_LC02_MS02_13; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
OCP_225.0789_16.6
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1304
C12H16O4_(3Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one
C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)
C12H16O4_4-Pentene-2,3-diol, 5-[3-hydroxy-2-(hydroxymethyl)phenyl]-, (2S,3R,4E)
2-Hydroxychalcone
2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3]. 2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3].
Stavudine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2238; ORIGINAL_PRECURSOR_SCAN_NO 2235 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2232; ORIGINAL_PRECURSOR_SCAN_NO 2230 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2236; ORIGINAL_PRECURSOR_SCAN_NO 2234 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2225; ORIGINAL_PRECURSOR_SCAN_NO 2224 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2291; ORIGINAL_PRECURSOR_SCAN_NO 2290 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2235; ORIGINAL_PRECURSOR_SCAN_NO 2233 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9439; ORIGINAL_PRECURSOR_SCAN_NO 9434 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9395 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9567; ORIGINAL_PRECURSOR_SCAN_NO 9562 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9454; ORIGINAL_PRECURSOR_SCAN_NO 9450 Stavudine (d4T) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Stavudine has activity against HIV-1 and HIV-2. Stavudine also inhibits the replication of mitochondrial DNA (mtDNA). Stavudine reduces NLRP3 inflammasome activation and modulates Amyloid-β autophagy. Stavudine induces apoptosis[1][2][3][4].
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol_major
Pogostone
Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2]. Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2].
2-hydroxy-3-(4-methoxy-phenyl)-propionic acid ethyl ester
4,6-DIAMINO-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER
(2E)-1-(4-aminophenyl)-3-pyridin-3-ylprop-2-en-1-one
5-FLUORO-7,8-DIMETHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
N-Methyl-3-phenyl-5-isoxazolemethanamine hydrochloride
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
4-(4-FLUOROPHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID
1-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZENE
Acetic acid,2-[[4-(1,1-dimethylethyl)phenyl]thio]-
2-HYDROXY-10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-ONE
methyl 2-[(3-amino-2-hydroxy-benzoyl)amino]acetate
4-(1-oxidopyridin-4-ylidene)pyridin-1-ium 1-oxide,hydrate
3a-(Difluoromethyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one
N-METHYL-1-(5-PHENYLISOXAZOL-3-YL)METHANAMINE HYDROCHLORIDE
2,2,2-Trifluoro-N-(2-oxa-6-azaspiro[3.4]oct-8-yl)acetamide
sodium,1,1,2,2,3,3-hexadeuterio-3-trimethylsilylpropane-1-sulfonate
2-amino-n-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
azanium,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-carboxylic acid
(R)-3-AMINO-4-(4-BROMOPHENYL)BUTANOICACIDHYDROCHLORIDE
2 4-BIS(DIMETHYLAMINO)-6-CHLOROPYRIDINE-3-CARBONITRILE
2-Fluoro-2-methyl-3-oxo-3-phenyl-propionic acid ethyl ester
methyl 3-(4-fluorophenyl)pyrazolidine-4-carboxylate
(S)-(-)-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
(2-((Dimethylamino)methyl)-5-nitrophenyl)boronic acid
2-Amino-8-chloro-1,2,3,4-tetrahydro-2-naphthalenecarboxamide
(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
Benzoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
Phosphonic acid, methyl-, 2-methylpropyl trimethylsilyl ester
3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-N-(trimethylsilyl)-
(5R)-4-Hydroxy-3,5-dimethyl-5-[(1E,3E)-2-methylpenta-1,3-dienyl]thiophen-2(5H)-one
Karenzu DK2
Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1]. Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].
AI3-00855
2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3]. 2-hydroxychalcone, a natural flavonoid, is a potent antioxidant, inhibiting lipid peroxidation. 2-Hydroxychalcone induces apoptosis by Bcl-2 downregulation. 2-Hydroxychalcone inhibits the activation of NF-kB[1][2][3].
3-Hydroxy-kynurenine
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(2S,3R)-4-(2-aminophenyl)-2-amino-3-hydroxy-4-oxobutanoate
(2S,3R)-2-amino-4-(2-aminophenyl)-3-hydroxy-4-oxobutanoic acid
2-(butylthio)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
5-hydroxy-L-kynurenine zwitterion
Tha amino acid zwitterion formed from 5-hydroxy-L-kynurenine by transfer of a proton from the carboxy to the amino group; principal microspecies at pH 7.3.
(4S,5S)-2-(2-Chloroethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane
Tetramethyluric acid
An oxopurine that is uric acid in which the hydrogens at positions 1,3,7 and 9 are replaced by methyl groups. It is a purine alkaloid that is found in Chinese tea known as kucha (Camellia assamica var. kucha) and exhibits anti-inflammatory and analgesic properties.
3-hydroxy-L-kynurenine zwitterion
Zwitterionic form of 3-hydroxy-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3
5-Hydroxykynurenine
A hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5.
2-[(1s)-1-phenylprop-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
4-[2-(phenylmethylidene)hydrazin-1-yl]benzaldehyde
2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene
{"Ingredient_id": "HBIN005671","Ingredient_name": "2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene","Alias": "AC1NSWAM; 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene; (8E)-8-hexa-2,4-diynylidenespiro[4.4]non-6-ene-4,9-dione","Ingredient_formula": "C15H12O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(C1=O)CCCC2=O","Ingredient_weight": "224.27","OB_score": "94.8200107","CAS_id": "NA","SymMap_id": "SMIT00884","TCMID_id": "31095","TCMSP_id": "MOL005216","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
