Exact Mass: 224.0718
Exact Mass Matches: 224.0718
Found 500 metabolites which its exact mass value is equals to given mass value 224.0718,
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].
Sinapic acid
Sinapic acid, also known as sinapinate, belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Sinapic acid has been detected, but not quantified, in several different foods, such as strawberry guava, purple lavers, common verbena, ryes, and lupines. This could make sinapic acid a potential biomarker for the consumption of these foods. A sinapic acid in which the double bond has trans-configuration. Trans-sinapic acid is a sinapic acid in which the double bond has trans-configuration. It has a role as a MALDI matrix material and a plant metabolite. It is a conjugate acid of a trans-sinapate. Sinapic acid is a matrix for matrix-assisted laser desorption technique for protein MW determination. It is also a constituent of propolis. Sinapic acid is a natural product found in Sida acuta, Limoniastrum guyonianum, and other organisms with data available. A common constituent of plants and fruits. trans-Sinapic acid is found in many foods, some of which are small-leaf linden, redcurrant, malabar spinach, and blackcurrant. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents A sinapic acid in which the double bond has trans-configuration. Acquisition and generation of the data is financially supported in part by CREST/JST. Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00014.jpg Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00015.jpg CONFIDENCE standard compound; INTERNAL_ID 174 Annotation level-1 Annotation level-2 KEIO_ID S028 Sinapinic acid (Sinapic acid) is a phenolic compound isolated from Hydnophytum formicarum Jack. Rhizome, acts as an inhibitor of HDAC, with an IC50 of 2.27 mM[1], and also inhibits ACE-I activity[2]. Sinapinic acid posssess potent anti-tumor activity, induces apoptosis of tumor cells[1]. Sinapinic acid shows antioxidant and antidiabetic activities[2]. Sinapinic acid reduces total cholesterol, triglyceride, and HOMA-IR index, and also normalizes some serum parameters of antioxidative abilities and oxidative damage in ovariectomized rats[3]. Sinapinic acid (Sinapic acid) is a phenolic compound isolated from Hydnophytum formicarum Jack. Rhizome, acts as an inhibitor of HDAC, with an IC50 of 2.27 mM[1], and also inhibits ACE-I activity[2]. Sinapinic acid posssess potent anti-tumor activity, induces apoptosis of tumor cells[1]. Sinapinic acid shows antioxidant and antidiabetic activities[2]. Sinapinic acid reduces total cholesterol, triglyceride, and HOMA-IR index, and also normalizes some serum parameters of antioxidative abilities and oxidative damage in ovariectomized rats[3].
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].
phenazine-1-carboxylic acid
An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. CONFIDENCE standard compound; INTERNAL_ID 190 Phenazine-1-carboxylic acid exhibits strong antifungal activity against phytopathogenic fungi.
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].
NIFURADENE
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
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].
Elenolide
Constituent of olive oil. Elenolide is found in many foods, some of which are fats and oils, olive, pomes, and herbs and spices. Elenolide is found in fats and oils. Elenolide is a constituent of olive oil
L-Nicotianine
L-Nicotianine is found in mushrooms. L-Nicotianine is a constituent of Lentinus edodes (shiitake)
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.
cis-Sinapic acid
cis-Sinapic acid is found in pulses. cis-Sinapic acid is a constituent of shoots of Medicago sativa (alfalfa). Constituent of shoots of Medicago sativa (alfalfa). cis-Sinapic acid is found in pulses and common pea. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-[(1Z,2Z)-3-Hydroxy-3-phenyl-2-propene-1-ylidene]-2,4-cyclohexadiene-1-one
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].
(3As)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
Isoflavanone
Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.
Trinexapac
A monocarboxylic acid that is 3,5-dioxocyclohexanecarboxylic acid substituted by a cyclopropyl(hydroxy)methylidene group at position 4. It is a metabolite of the plant growth regulator trinexapac-ethyl. CONFIDENCE standard compound; EAWAG_UCHEM_ID 150
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].
4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one
1-(3-acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one
(E)-2-hydroxyethyl 3-(3,4-dihydroxyphenyl)acrylate|2-hydroxyethyl caffeate|hydroxyethyl caffeate
(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
1-Methoxy-5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone|5,7-Dihydroxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranon
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
3-Methyl-4-(2,3-dihydroxyphenyl)-4-oxo-butanoic acid
3-Acetyl-2,6-dihydroxy-4-methoxy-5-methyl-benzaldehyd|3-Acetyl-2,6-dihydroxy-4-methoxy-5-methylbenzaldehyde|3-formyl-2,4-dihydroxy-5-methyl-6-methoxy-acetophenone|Kosin 16
3-(4-methoxy-3,5-dimethyl-2-oxo-2h-pyran-6-yl)-2-propenoic acid
(3S,4S)-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone|3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone
3,4,8-trihydroxy-6-(hydroxymethyl)-3,4-dihydronaphthalen-1(2H)-one
3-methoxy-6,8-dihydroxy-3-methyl-3,4-dihydroisocoumarin
1-[rel-(2S,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]ethanone
4-(1-Hydroxyethyl)-6,8-dihydroxy-3,4-dihydro-1H-2-benzopyran-1-one
3-acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzaldehyde
(+)-pestaphthalide A|5,7-dihydroxy-3-(1-hydroxyethyl)-6-methyl-3H-isobenzofuran-1-one|pestaphthalide A
3-Hydroxy-4-hydroxymethyl-7-methoxy-6-methyl-phthalid|3-hydroxy-4-hydroxymethyl-7-methoxy-6-methyl-phthalide
cis,cis-Tridecatrien-(2,10,12)-triin-(4,6,8)-yl-acetat
Methyl 6-methoxy-2-methyl-3,4-methylene dioxybenzoate
6-Me ether-3,5,6-Trihydroxy-3-menthyl-1H-2-benzopyran-4-one
(3Z,5E)-octa-3,5-diene-1,3,4-tricarboxylic acid 3,4-anhydride|(3Z,5E)-Octa-3,5-diene-1,3,4-tricarboxylic acid anhydride
azuleno[6,5-b]furan-5-carboxaldehyde, 3,8-dimethyl-
3,5-Dimethyl-4-methylenenaphtho[2,3-b]furan-9(4H)-one
1-(4-hydroxy-3,5-dimethoxy-phenyl)-propane-1,2-dione
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.
sinapic acid
Sinapinic acid (Sinapic acid) is a phenolic compound isolated from Hydnophytum formicarum Jack. Rhizome, acts as an inhibitor of HDAC, with an IC50 of 2.27 mM[1], and also inhibits ACE-I activity[2]. Sinapinic acid posssess potent anti-tumor activity, induces apoptosis of tumor cells[1]. Sinapinic acid shows antioxidant and antidiabetic activities[2]. Sinapinic acid reduces total cholesterol, triglyceride, and HOMA-IR index, and also normalizes some serum parameters of antioxidative abilities and oxidative damage in ovariectomized rats[3]. Sinapinic acid (Sinapic acid) is a phenolic compound isolated from Hydnophytum formicarum Jack. Rhizome, acts as an inhibitor of HDAC, with an IC50 of 2.27 mM[1], and also inhibits ACE-I activity[2]. Sinapinic acid posssess potent anti-tumor activity, induces apoptosis of tumor cells[1]. Sinapinic acid shows antioxidant and antidiabetic activities[2]. Sinapinic acid reduces total cholesterol, triglyceride, and HOMA-IR index, and also normalizes some serum parameters of antioxidative abilities and oxidative damage in ovariectomized rats[3].
2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acid
4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
6,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
OCP_225.0789_16.6
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1304
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
tubermycin B
Origin: Microbe; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids Phenazine-1-carboxylic acid exhibits strong antifungal activity against phytopathogenic fungi.
2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acid [IIN-based: Match]
2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acid [IIN-based on: CCMSLIB00000845767]
2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acid_major
Sinapinic acid
Sinapinic acid (Sinapic acid) is a phenolic compound isolated from Hydnophytum formicarum Jack. Rhizome, acts as an inhibitor of HDAC, with an IC50 of 2.27 mM[1], and also inhibits ACE-I activity[2]. Sinapinic acid posssess potent anti-tumor activity, induces apoptosis of tumor cells[1]. Sinapinic acid shows antioxidant and antidiabetic activities[2]. Sinapinic acid reduces total cholesterol, triglyceride, and HOMA-IR index, and also normalizes some serum parameters of antioxidative abilities and oxidative damage in ovariectomized rats[3]. Sinapinic acid (Sinapic acid) is a phenolic compound isolated from Hydnophytum formicarum Jack. Rhizome, acts as an inhibitor of HDAC, with an IC50 of 2.27 mM[1], and also inhibits ACE-I activity[2]. Sinapinic acid posssess potent anti-tumor activity, induces apoptosis of tumor cells[1]. Sinapinic acid shows antioxidant and antidiabetic activities[2]. Sinapinic acid reduces total cholesterol, triglyceride, and HOMA-IR index, and also normalizes some serum parameters of antioxidative abilities and oxidative damage in ovariectomized rats[3].
cis-Sinapic acid
A 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid in which the double bond has cis-configuration. It has been isolated from the shoots of alfalfa. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
6-Chloro-2,3-dihydro-1H-indene-1-carboxylic acid ethyl ester
3-(2-HYDROXY-4-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetic acid
4,6-DIAMINO-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER
Benzoic acid,4-[(aminothioxomethyl)amino]-, ethyl ester
1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBONYLCHLORIDE
(4,6-DIMETHYL-2,5-DIOXO-HEXAHYDRO-IMIDAZO-[4,5-D]IMIDAZOL-1-YL)-ACETICACID
5-FLUORO-7,8-DIMETHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
N-Methyl-3-phenyl-5-isoxazolemethanamine hydrochloride
5-Chloro-3-((trimethylsilyl)ethynyl)pyridin-2-amine
2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine
4-HYDROXY-5-METHYL-ISOPHTHALIC ACID DIMETHYL ESTER
5,7-Dimethyl-2,3-dihydro-1H-[1,4]diazepine perchlorate
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]-
1H-Pyrazolo[4,3-d]pyrimidine-3-carboxylic acid, 4,5,6,7-tetrahydro-5,7-dioxo-, ethyl ester
2-HYDROXY-10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-ONE
methyl 2-[(3-amino-2-hydroxy-benzoyl)amino]acetate
(4-((CYCLOPROPYLMETHYL)SULFINYL)PHENYL)BORONIC ACID
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
(E)-3-(Methoxycarbonyl)-4-(5-methylfuran-2-yl)but-3-enoic acid
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
3,6-DIMETHYLIMIDAZO[2,1-B]THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1,3-Benzenedicarboxylic acid, 5-(hydroxyMethyl)-, 1,3-dimethyl ester
dimethyl 5-hydroxy-3-methylbenzene-1,2-dicarboxylate
azanium,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-carboxylic acid
Pyrimidine, 4-ethyl-2-(methylsulfonyl)-6-(1-propynyl)- (9CI)
(R)-3-AMINO-4-(4-BROMOPHENYL)BUTANOICACIDHYDROCHLORIDE
propan-2-yl 5-amino-4-cyano-3-methylthiophene-2-carboxylate
2 4-BIS(DIMETHYLAMINO)-6-CHLOROPYRIDINE-3-CARBONITRILE
2-Fluoro-2-methyl-3-oxo-3-phenyl-propionic acid ethyl ester
2-(3-methoxy-4-(methoxycarbonyl)phenyl)acetic acid
1-(Methoxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-ylboronic acid
2-Amino-8-chloro-1,2,3,4-tetrahydro-2-naphthalenecarboxamide
4-(3-Chlorophenyl)tetrahydropyran-4-carboxaldehyde
(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
4-Amino-4-deoxychorismate(1-)
A dicarboxylic acid monoanion that is the conjugate base of 4-amino-4-deoxychorismic acid.
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
Benzoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
(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].
(3As)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
3-Hydroxy-kynurenine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S,3R)-4-(2-aminophenyl)-2-amino-3-hydroxy-4-oxobutanoate
(2S,3R)-2-amino-4-(2-aminophenyl)-3-hydroxy-4-oxobutanoic acid
(3S)-3-(1-carboxyethenoxy)cyclohepta-1,6-diene-1-carboxylic acid
3-(3-Hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid
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.
3,4-dihydroxy-7-methylidene-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-furo[3,4-b]pyran-5-one
(4S,5S)-2-(2-Chloroethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane
6,8-Dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
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.
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone
A butan-4-olide that is gamma-valerolactone in which one of the methyl hydrogens has been replaced by a 3,4,5-trihydroxyphenyl group.
S 18986
S 18986 is a selective, orally active, brain penetrant positive allosteric modulator of AMPA-type receptors. S 18986 shows cognitive enhancing properties in rodents. S 18986 activates the release of noradrenaline and acetylcholine in rat hippocampus and enhances rat memory in object-recognition tests[1][2].
(5e)-5-(1,5,6-trihydroxy-5-methylhex-3-yn-2-ylidene)furan-2-one
3-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3h-2-benzofuran-1-one
(2s)-4-hydroxy-2,6-dimethoxy-5-methyl-2h-1-benzofuran-3-one
2-[(1s)-1-phenylprop-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
(1s,5r,7r,10r,11s)-10-hydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.0¹,⁵]undecane-2,9-dione
3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
6,8-dihydroxy-3-(hydroxymethyl)-7-methyl-3,4-dihydro-2-benzopyran-1-one
(4s,5s,6r,10s)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione
(5-hydroxy-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate
(6r,10r)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione
1-[(2r,3s)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]ethanone
(3s)-3-[(1s,2s)-1,2-dihydroxypropyl]-6-hydroxy-3h-2-benzofuran-1-one
methyl 4-hydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-5,8-diene-8-carboxylate
(3r,4s)-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
(3s,4s)-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
3-hydroxy-6-methyl-4-oxo-6,7-dihydro-5h-1-benzofuran-5-yl acetate
(2e)-4-[(3z,4s,5r)-4-hydroxy-5-[(1e)-3-hydroxyprop-1-en-1-yl]-2-oxooxolan-3-ylidene]but-2-enal
4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione
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"}
3-aldehyde-6-methyl-2,4-dihydroxy-ethyl-benzoate
{"Ingredient_id": "HBIN007887","Ingredient_name": "3-aldehyde-6-methyl-2,4-dihydroxy-ethyl-benzoate","Alias": "NA","Ingredient_formula": "C11H12O5","Ingredient_Smile": "CCOC(=O)C1=C(C(=C(C=C1C)O)C=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "873","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
