Exact Mass: 178.0669
Exact Mass Matches: 178.0669
Found 500 metabolites which its exact mass value is equals to given mass value 178.0669,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Coniferaldehyde
Coniferaldehyde (CAS: 458-36-6), also known as 4-hydroxy-3-methoxycinnamaldehyde or ferulaldehyde, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Coniferaldehyde is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, coniferaldehyde is found, on average, in the highest concentration within sherries. Coniferaldehyde has also been detected, but not quantified in, several different foods, such as highbush blueberries, lima beans, Chinese cabbages, loquats, and greenthread tea. This could make coniferaldehyde a potential biomarker for the consumption of these foods. BioTransformer predicts that coniferaldehyde is a product of caffeic aldehyde metabolism via a catechol-O-methylation-pattern2 reaction catalyzed by the enzyme catechol O-methyltransferase (PMID: 30612223). Coniferyl aldehyde, also known as 4-hydroxy-3-methoxycinnamaldehyde or 4-hm-ca, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Coniferyl aldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Coniferyl aldehyde can be found in a number of food items such as pear, common walnut, kelp, and citrus, which makes coniferyl aldehyde a potential biomarker for the consumption of these food products. Coniferyl aldehyde is a low molecular weight phenolic compound susceptible to be extracted from cork stoppers into wine . Coniferyl aldehyde is a member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as an antifungal agent and a plant metabolite. It is a member of cinnamaldehydes, a phenylpropanoid and a member of guaiacols. It is functionally related to an (E)-cinnamaldehyde. 4-Hydroxy-3-methoxycinnamaldehyde is a natural product found in Pandanus utilis, Microtropis japonica, and other organisms with data available. A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3. Acquisition and generation of the data is financially supported in part by CREST/JST. Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1]. Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells Coniferaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=458-36-6 (retrieved 2024-09-04) (CAS RN: 458-36-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
ANTHRACENE
Anthracene, also known as anthrazen or anthracene, sodium salt, ion (1-), is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Anthracene can be found in sorrel, which makes anthracene a potential biomarker for the consumption of this food product. Anthracene is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Anthracene is a solid polycyclic aromatic hydrocarbon (PAH) of formula C14H10, consisting of three fused benzene rings. It is a component of coal tar. Anthracene is used in the production of the red dye alizarin and other dyes. Anthracene is colorless but exhibits a blue (400-500 nm peak) fluorescence under ultraviolet radiation . PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system (L10) (T3DB).
Phenanthrene
Phenanthrene is a polycyclic aromatic hydrocarbon (PAH) and has been frequently used as an indicator for monitoring PAH contaminated matrices[1]. Phenanthrene induces oxidative stress and inflammation[2].
Phenacemide
Phenacemide, also known as phenurone or carbamide phenylacetate, is a member of the class of compounds known as phenylacetamides. Phenylacetamides are amide derivatives of phenylacetic acids. Phenacemide is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Phenacemide can be found in fenugreek, which makes phenacemide a potential biomarker for the consumption of this food product. Phenacemide can be found primarily in blood and urine. Phenacemide is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phenacemide is a drug which is used to control certain seizures in the treatment of epilepsy. Phenacemide is only found in individuals that have used or taken this drug. It is used to control certain seizures in the treatment of epilepsy. This medicine acts on the central nervous system (CNS) to reduce the number and severity of seizures. Phenacemide binds to and blocks neuronal sodium channels or voltage sensitive calcium channels. This blocks or suppresses neuronal depolarization and hypersynchronization. Hypersynchronization is what often causes seizures. C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene
1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene is considered to be soluble (in water) and relatively neutral
AI3-11206
(E)-2-methoxycinnamic acid is a member of the class of cinnamic acids that is trans-cinnamic acid carrying a methoxy substituent at position 2 on the benzene ring. It has a role as a Brassica napus metabolite and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a member of cinnamic acids and a monomethoxybenzene. It is functionally related to a trans-cinnamic acid. See also: Cinnamomum cassia twig (part of). A member of the class of cinnamic acids that is trans-cinnamic acid carrying a methoxy substituent at position 2 on the benzene ring. 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1]. 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1].
4-Methoxycinnamic acid
4-Methoxycinnamic acid, also known as para-methoxycinnamate or O-methyl-p-coumarate, belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Outside of the human body, 4-Methoxycinnamic acid is found, on average, in the highest concentration within turmerics. 4-Methoxycinnamic acid has also been detected, but not quantified in cow milk and wild celeries. This could make 4-methoxycinnamic acid a potential biomarker for the consumption of these foods. 4-methoxycinnamic acid is a methoxycinnamic acid having a single methoxy substituent at the 4-position on the phenyl ring. It is functionally related to a cinnamic acid. 4-Methoxycinnamic acid is a natural product found in Balanophora tobiracola, Murraya euchrestifolia, and other organisms with data available. Esters of p-methoxycinnamic acid are among the popular UV-B screening compounds used in various cosmetic formulations in sunscreen products. trans-p-Methoxycinnamic acid is found in wild celery and turmeric. (E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. (E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii.
(S)-Isosclerone
(S)-Isosclerone is found in nuts. (S)-Isosclerone is a constituent of Juglans regia (walnut). Constituent of Juglans regia (walnut). (S)-Isosclerone is found in nuts.
3-(4-Hydroxy-2-methoxyphenyl)-2-propenal
3-(4-Hydroxy-2-methoxyphenyl)-2-propenal is found in fats and oils. 3-(4-Hydroxy-2-methoxyphenyl)-2-propenal is a constituent of sunflower and vanilla. Constituent of sunflower and vanilla. 3-(4-Hydroxy-2-methoxyphenyl)-2-propenal is found in fats and oils and herbs and spices.
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid is found in mushrooms. (Z)-10-Hydroxy-8-decene-4,6-diynoic acid is a constituent of Fistulina hepatica (beefsteak fungus)
4-Oxo-4-(3-pyridyl)-butanamide
4-(3-pyridyl)-4-oxobutyramide (POBAM) is a metabolite of nicotine and cotinine degradation. (PMID: 9512938, 13872096) [HMDB] 4-(3-pyridyl)-4-oxobutyramide (POBAM) is a metabolite of nicotine and cotinine degradation. (PMID: 9512938, 13872096).
BOX B
BOX B is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX B can be found in cerebrospinal fluid in SAH. (PMID: 17981669) [HMDB] BOX B is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX B can be found in cerebrospinal fluid in SAH. (PMID: 17981669).
BOX A
BOX A is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX A can be found in cerebrospinal fluid in SAH. (PMID: 17981669) [HMDB] BOX A is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX A can be found in cerebrospinal fluid in SAH. (PMID: 17981669).
3-(4-Methylphenyl)oxiranecarboxylic acid
Esters used in perfumery and flavourin
2,12-Tetradecadiene-4,6,8,10-tetrayne
Isolated from Triticum aestivum (wheat). 2,12-Tetradecadiene-4,6,8,10-tetrayne is found in wheat. 2,12-Tetradecadiene-4,6,8,10-tetrayne is isolated from Triticum aestivum (wheat).
Di-alpha-furfuryl ether
Di-alpha-furfuryl ether is a flavouring ingredient. Flavouring ingredient
(E)-10-Hydroxy-2-decene-4,6-diynoic acid
(E)-10-Hydroxy-2-decene-4,6-diynoic acid is found in mushrooms. (E)-10-Hydroxy-2-decene-4,6-diynoic acid is a food lipid.
Ethyl Phenylglyoxylate
Ethyl Phenylglyoxylate, also known as Ethyl 2-oxo-2-phenylacetate or Ethyl benzoylformate, is classified as a benzoyl derivative or a Benzoyl derivative derivative. Benzoyl derivatives are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Ethyl Phenylglyoxylate is considered to be practically insoluble (in water) and basic
(Z)-p-Methoxycinnamic acid
4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii.
Mellein
Mellein, also known as (R)-mellein, is a member of the class of compounds known as 2-benzopyrans. 2-benzopyrans are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. Mellein is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Mellein can be found in cocoa powder, which makes mellein a potential biomarker for the consumption of this food product. Mellein is a dihydroisocoumarin, a phenolic compound produced by Aspergillus ochraceus .
Methyl p-coumarate
Methyl p-coumarate, also known as 4-coumaric acid methyl ester, is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. Methyl p-coumarate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Methyl p-coumarate can be found in bamboo shoots and garden onion, which makes methyl p-coumarate a potential biomarker for the consumption of these food products. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2]. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2].
trans-2-Methoxycinnamic acid
Trans-2-methoxycinnamic acid is a member of the class of compounds known as coumaric acids. Coumaric acids are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Trans-2-methoxycinnamic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Trans-2-methoxycinnamic acid can be found in chinese cinnamon, which makes trans-2-methoxycinnamic acid a potential biomarker for the consumption of this food product. 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1]. 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1].
pCAME
4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as a melanin synthesis inhibitor, a fungal metabolite, an anti-inflammatory agent, an antifungal agent and a plant metabolite. It is a cinnamate ester, a member of phenols and a methyl ester. It is functionally related to a 4-coumaric acid. Methyl 4-hydroxycinnamate is a natural product found in Alpinia blepharocalyx, Grevillea robusta, and other organisms with data available. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2]. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2].
(E)-Methyl-4-hydroxycinnamate
(E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity.
2,3-Dihydro-6,7-dihydroxy-1H-indene-4-carboxaldehyde
coniferyl aldehyde
Annotation level-1 Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1]. Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1].
9-hydroxy-non-7t-ene-3,5-diynoic acid methyl ester|Methyl-9-hydroxy-non-trans-7-en-3,5-diinoat|trans-9-Hydroxy-non-7-en-3,5-diinsaeure-methylester
2-Hydroxy-2,6-dimethylbenzofuran-3(2H)-one
A natural product found in Eupatorium cannabinum subspecies asiaticum.
3-methyl-3,4-dihydrobenzo[c][1,2]dioxine-5-carbaldehyde|bombaxoin
tetradeca-1,12-diene-4,6,8,10-tetrayne|Tetradecadien-(1,12)-tetrain-(4,6,8,10)
4-(o-Hydroxy-phenyl)-but-3-en-1-saeure|4--but-3-en-1-saeure
Osmundacetone
(E)-3,4-Dihydroxybenzylideneacetone is a natural product found in Inonotus obliquus, Peltigera dolichorrhiza, and Phellinus igniarius with data available. (E)-Osmundacetone is the isomer of Osmundacetone. Osmundacetone significantly suppresses the phosphorylation of MAPKs, including JNK, ERK, and p38 kinases. Osmundacetone has a neuroprotective effect against oxidative stress[1]. (E)-Osmundacetone is the isomer of Osmundacetone. Osmundacetone significantly suppresses the phosphorylation of MAPKs, including JNK, ERK, and p38 kinases. Osmundacetone has a neuroprotective effect against oxidative stress[1]. (E)-Osmundacetone is the isomer of Osmundacetone. Osmundacetone significantly suppresses the phosphorylation of MAPKs, including JNK, ERK, and p38 kinases. Osmundacetone has a neuroprotective effect against oxidative stress[1].
2-Methoxycinnamic acid
Annotation level-1 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1]. 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1].
4-methoxycinnamic acid
Annotation level-1 CONFIDENCE standard compound; INTERNAL_ID 8214 (E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. (E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii.
4-(Dimethylamino)phenylthiocyanate
CONFIDENCE standard compound; INTERNAL_ID 1116; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8921; ORIGINAL_PRECURSOR_SCAN_NO 8919 CONFIDENCE standard compound; INTERNAL_ID 1116; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9010; ORIGINAL_PRECURSOR_SCAN_NO 9009 CONFIDENCE standard compound; INTERNAL_ID 1116; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9030; ORIGINAL_PRECURSOR_SCAN_NO 9029 CONFIDENCE standard compound; INTERNAL_ID 1116; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9059; ORIGINAL_PRECURSOR_SCAN_NO 9057 CONFIDENCE standard compound; INTERNAL_ID 1116; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9076; ORIGINAL_PRECURSOR_SCAN_NO 9075 CONFIDENCE standard compound; INTERNAL_ID 1116; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9058; ORIGINAL_PRECURSOR_SCAN_NO 9056
(±)-Mellein
D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2,3-DIHYDRO-5-METHYL-7-TRIFLUORMETHYL-1H-1,4-DIAZEPINE
ENDO-BICYCLO[2.2.2]OCT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE
2H-Benzimidazole-2-thione,1-ethyl-1,3-dihydro-(9CI)
2-ethylsulfanyl-1H-benzimidazole
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents > D000975 - Antioxidants D007155 - Immunologic Factors
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
5,6,7,8-tetrahydro-1,8-naphthyridine-2-carboxylic acid
Bicyclo<2.2.2>oct-2-ene-2,3-dicarboxylic anhydride
4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
3-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-6-methyl-2-oxo-
2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid
3-AMINO-2,3-DIHYDROBENZO[B][1,4]OXAZEPIN-4(5H)-ONE
1-Ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
N-[[5-(2-FURYL)ISOXAZOL-3-YL]METHYL]-N-METHYLAMINE
2H-Benzimidazol-2-one,1,3-dihydro-5-methoxy-1-methyl-(9CI)
4-cyano-5-Methyl-1H-Pyrrole-2-carboxylic acid ethyl ester
Pyrrolo[1,2-a]pyrazine-1,4-dione, 2,3,6,7-tetrahydro-2-methyl-3-methylene- (9CI)
Pyrrolo[1,2-a]pyrazine-6-carboxaldehyde, 1,2,3,4-tetrahydro-2-methyl-3-oxo- (9CI)
(Z)-3-(3-hydroxyphenyl)-2-methyl-prop-2-enoic acid
1H-Benzimidazole,1-hydroxy-6-methoxy-2-methyl-(9CI)
3-(3-aminophenyl)-1,3-oxazolidin-2-one(SALTDATA: FREE)
7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde(SALTDATA: FREE)
(3S,4S)-4-azidotetrahydro-2H-pyran-3-amine hydrochloride
(2E)-3-(4-Hydroxy-2-methylphenyl)-2-propenoic acid
2H-Benzimidazole-2-thione,1,3-dihydro-5,6-dimethyl-
1H-Benzimidazole,1-hydroxy-2-methoxy-5-methyl-(9CI)
Endostatin
D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors > D043165 - Angiostatic Proteins D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors > D043169 - Endostatins D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D006133 - Growth Substances > D006131 - Growth Inhibitors
p-MCA
(E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. (E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii.
FR-2261
(E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2]. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2].
Ferulaldehyde
Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1]. Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1].
1-(2-Hydroxy-4-methylphenyl)propan-1,2-dione
A natural product found in Eupatorium cannabinum subspecies asiaticum.
(2S,3R)-2-amino-3-hydroxy-5-(hydroxyamino)-5-oxopentanoic acid
phenacemide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
Phenanthracene
A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms phenyl and anthracene. Phenanthrene is a polycyclic aromatic hydrocarbon (PAH) and has been frequently used as an indicator for monitoring PAH contaminated matrices[1]. Phenanthrene induces oxidative stress and inflammation[2].
Difurfuryl ether
A member of the class of furans that is furan which is substituted by a (furan-2-ylmethoxy)methyl group at position 2.
Ethyl Phenylglyoxylate
The ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism.
2-[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]acetamide
2-[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]acetamide
1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene
4-coumaric acid methyl ester
A cinnamate ester that is the methyl ester of 4-coumaric acid.
(2s)-5-hydroxy-2-methyl-2,3-dihydro-1-benzopyran-4-one
3,4-dihydro-8-hydroxy-3-methyl-2 h -1-benzopyran-2-one
{"Ingredient_id": "HBIN007364","Ingredient_name": "3,4-dihydro-8-hydroxy-3-methyl-2 h -1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C10H10O3","Ingredient_Smile": "CC1CC2=C(C(=CC=C2)O)OC1=O","Ingredient_weight": "178.18","OB_score": "NA","CAS_id": "52685-66-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8289","PubChem_id": "21828374","DrugBank_id": "NA"}
(4r)-4,8-dihydroxy-α-tetralone
{"Ingredient_id": "HBIN010847","Ingredient_name": "(4r)-4,8-dihydroxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C10H10O3","Ingredient_Smile": "C1CC(=O)C2=C(C1O)C=CC=C2O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6144","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-methylene-9-h-fluorene
{"Ingredient_id": "HBIN014138","Ingredient_name": "9-methylene-9-h-fluorene","Alias": "NA","Ingredient_formula": "C14H10","Ingredient_Smile": "C=C1C2=CC=CC=C2C3=CC=CC=C13","Ingredient_weight": "178.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7271","PubChem_id": "78147","DrugBank_id": "NA"}
