Exact Mass: 238.0649
Exact Mass Matches: 238.0649
Found 500 metabolites which its exact mass value is equals to given mass value 238.0649,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Hydroxyflavone
Flavonol is a monohydroxyflavone that is the 3-hydroxy derivative of flavone. It is a monohydroxyflavone and a member of flavonols. It is a conjugate acid of a flavonol(1-). 3-Hydroxyflavone is a natural product found in Acacia retinodes, Acacia holosericea, and other organisms with data available. Constituent of cabbage. 3-Hydroxyflavone is found in many foods, some of which are red raspberry, brassicas, papaya, and pomegranate. 3-Hydroxyflavone is found in brassicas. 3-Hydroxyflavone is a constituent of cabbage Flavonol is an endogenous metabolite. Flavonol is an endogenous metabolite.
Primuliten
5-Hydroxyflavone is a member of flavones. 5-Hydroxyflavone is a natural product found in Conchocarpus heterophyllus, Primula denticulata, and Lophomyrtus bullata with data available. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.263 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.268 5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1]. 5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1].
7-Hydroxyflavone
[Raw Data] CB049_7-Hydroxyflavone_pos_10eV_CB000023.txt [Raw Data] CB049_7-Hydroxyflavone_pos_30eV_CB000023.txt [Raw Data] CB049_7-Hydroxyflavone_pos_50eV_CB000023.txt [Raw Data] CB049_7-Hydroxyflavone_pos_20eV_CB000023.txt [Raw Data] CB049_7-Hydroxyflavone_pos_40eV_CB000023.txt [Raw Data] CB049_7-Hydroxyflavone_neg_20eV_000015.txt [Raw Data] CB049_7-Hydroxyflavone_neg_10eV_000015.txt [Raw Data] CB049_7-Hydroxyflavone_neg_40eV_000015.txt [Raw Data] CB049_7-Hydroxyflavone_neg_30eV_000015.txt [Raw Data] CB049_7-Hydroxyflavone_neg_50eV_000015.txt 7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2]. 7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2]. 7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2].
6-Hydroxyflavone
6-Hydroxyflavone is a naturally occurring flavone, with anti-inflammatory activity. 6-Hydroxyflavone exhibits inhibitory effect towards bovine hemoglobin (BHb) glycation. 6-Hydroxyflavone can activate AKT, ERK 1/2, and JNK signaling pathways to effectively promote osteoblastic differentiation. 6-Hydroxyflavone inhibits the LPS-induced NO production[1] [2]. 6-Hydroxyflavone is a naturally occurring flavone, with anti-inflammatory activity. 6-Hydroxyflavone exhibits inhibitory effect towards bovine hemoglobin (BHb) glycation. 6-Hydroxyflavone can activate AKT, ERK 1/2, and JNK signaling pathways to effectively promote osteoblastic differentiation. 6-Hydroxyflavone inhibits the LPS-induced NO production[1] [2].
3-deoxy-D-manno-octulosonate
3-deoxy-d-manno-octulosonate, also known as kdo or 2-dehydro-3-deoxy-D-octonate, belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 3-deoxy-d-manno-octulosonate is soluble (in water) and a moderately acidic compound (based on its pKa). 3-deoxy-d-manno-octulosonate can be found in a number of food items such as peppermint, okra, horseradish tree, and hazelnut, which makes 3-deoxy-d-manno-octulosonate a potential biomarker for the consumption of these food products. 3-deoxy-d-manno-octulosonate may be a unique E.coli metabolite.
Xanthopterin-B2
A member of the class of pteridines that is 7,8-dihydropteridine-2,4(1H,3H)-dione carrying a lactoyl group at position 6.
2-Hydroxymethylanthraquinone
2-hydroxymethylanthraquinone, also known as anthraquinone-2-methanol or hmaq-one, is a member of the class of compounds known as anthraquinones. Anthraquinones are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. 2-hydroxymethylanthraquinone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxymethylanthraquinone can be found in turmeric, which makes 2-hydroxymethylanthraquinone a potential biomarker for the consumption of this food product. 2-(Hydroxymethyl)anthraquinone is used as a photoremovable protecting group (PRPG) to chemically cage sex pheromone (e.g. (Z)-11-hexadecen-1-ol (sex pheromone of?Chilo infuscatellussnellen))[1]. 2-(Hydroxymethyl)anthraquinone is used as a photoremovable protecting group (PRPG) to chemically cage sex pheromone (e.g. (Z)-11-hexadecen-1-ol (sex pheromone of?Chilo infuscatellussnellen))[1].
7-Chlorotryptophan
A tryptophan derivative having a chloro substituent at the 7-position. A D-tryptophan derivative having a chloro substituent at the 7-position. An L-tryptophan derivative having a chloro substituent at the 7-position.
Rufinamide
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 3143
6-Chloro-L-tryptophan
A non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogen at position 6 on the indole ring has been replaced by a chlorine. Sweetening agent, sweetness 1300x sucrose
5-Chlorotryptophan
A non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogen at position 5 of the indole ring has been replaced by a chlorine.
3,4,5-Trimethoxycinnamic acid
3, 4, 5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate. 3, 4, 5-Trimethoxycinnamic acid is an organic acid found in normal human urine (PMID:6992730, 6511847). Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID:16313198). 3,4,5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate. 3,4,5-Trimethoxycinnamic acid is a natural product found in Piper tuberculatum, Polygala tenuifolia, and Piper swartzianum with data available. 3,4,5-Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2].
5-Hydroxyflavone
5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1]. 5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1].
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-ol
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is found in herbs and spices. 1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is a constituent of Acorus calamus (sweet flag)
Benzoylmalic acid
Benzoylmalic acid is found in pulses. Benzoylmalic acid is a constituent of alfalfa (Medicago sativa). Constituent of alfalfa (Medicago sativa). L-Malic acid benzoate is found in pulses.
1-(1-Propenylsulfinyl)propyl propyl disulfide
1-(1-Propenylsulfinyl)propyl propyl disulfide is found in onion-family vegetables. 1-(1-Propenylsulfinyl)propyl propyl disulfide is a constituent of Allium cepa (onion) and Allium tricoccum (wood leek). Constituent of Allium cepa (onion) and Allium tricoccum (wood leek). 1-(1-Propenylsulfinyl)propyl propyl disulfide is found in garden onion and onion-family vegetables.
L-4-Chlorotryptophan
L-4-Chlorotryptophan is found in common pea. L-4-Chlorotryptophan is isolated from the seed protein of Pisum sativum (pea). Also obtained from the seeds of Vicia fab Isolated from the seed protein of Pisum sativum (pea)and is also obtained from the seeds of Vicia faba. 4-Chloro-L-tryptophan is found in pulses and common pea.
Cystathionine sulfoxide
One of the unusual cystathionine metabolites found in the urine of patients with cystathioninuria [HMDB] One of the unusual cystathionine metabolites found in the urine of patients with cystathioninuria.
Trans-2, 3, 4-Trimethoxycinnamate
Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID: 16313198) [HMDB] Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID: 16313198).
1-Propenyl 1-(propylsulfinyl)propyl disulfide
1-Propenyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables. 1-Propenyl 1-(propylsulfinyl)propyl disulfide is a constituent of Allium tricoccum (wood leek). Constituent of Allium tricoccum (wood leek). 1-Propenyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables.
(±)-6-Chlorotryptophan
Sweetening agent, sweetness 1300x sucrose.
1-(2-Propenylsulfinyl)propyl propyl disulfide
1-(2-Propenylsulfinyl)propyl propyl disulfide is found in onion-family vegetables. 1-(2-Propenylsulfinyl)propyl propyl disulfide is a constituent of Allium sp Constituent of Allium species 1-(2-Propenylsulfinyl)propyl propyl disulfide is found in onion-family vegetables.
2-Propenyl 1-(propylsulfinyl)propyl disulfide
2-Propenyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables. 2-Propenyl 1-(propylsulfinyl)propyl disulfide is a constituent of Allium sp Constituent of Allium species 2-Propenyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables.
Acefylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2]. Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3]. Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].
N7-(2-Carbamoyl-2-hydroxyethyl)guanine
Picartamide
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
Rufinamide
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
(S)-(+)-1-(p-Hydroxy-trans-cinnamoyl)-glycerol
(s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol 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 (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol can be found in corn, which makes (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol a potential biomarker for the consumption of this food product.
2,3,5-Trimethoxy-6-(1E)-1-propenyl-2,5-cyclohexadiene-1,4-dione
7-Hydroxy-3-(2,3-dihydroxybutyl)-1(3H)-isobenzofuranone
Primuletin
5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1]. 5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1].
Acefylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2]. Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3]. Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].
4-(cis)-acetyl-3,6,8-trihydroxy-3-methyldihydronaphalrnone
Methyl 4-hydroxy-3,5-dimethoxycinnamate; Sinapic acid methyl ester
Me ether,di-Me ester-Hydroxyphenylpropanedioic acid
6,7-Dihydro-2,3,5,8-tetrahydroxy-6-methyl-1,4-naphthalenedione
5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone
Dipyrocetyl
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[1-(Methoxycarbonyl)vinyloxy]-4-hydroxybenzoic acid
(3R,4R)-3,4-dihydro-4,6-dihydroxy-3-methyl-1-oxo-1H-isochromene-5-carboxylic acid
(R)-4-methoxy-7-(2-oxopropyl)-7,8-dihydropyrano[4,3-b]pyran-2(5H)-one|pyrenocine K
(Z)-5-(2-carboxy-2-methoxyvinyl)-2-hydroxybenzoic acid
(3S)-3-((R)-1-hydroxyethyl)-6,8-dihydroxy-7-methyl-3,4-dihydroisocoumarin
3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbaldehyde
3-Hydroxy-4-methoxy-1-(4-hydroxy-1,3-dioxo-2-methyl-butyl)-benzol|3-Hydroxy-4-methoxy-1-<4-hydroxy-1,3-dioxo-2-methyl-butyl>-benzol
(3R*,4R*)-3,4-dihydro-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxynaphthalen-1(2H)-one|balticol B
1,3-bis(4-hydroxyphenyl)prop-2-yn-1-one|anemarchalconyn
(E)-5-oxo-3-(prop-1-enyl)cyclopent-3-ene-1,2-diyl diacetate|diacetylterrein|Terreindiacetat
2,3-Dimethoxy-5-(1-methyl-2-oxopropyl)-1,4-benzoquinone
CZODYZFOLUNSFR-UHFFFAOYSA-N
1-hydroxy-2-methyl-9,10-anthraquinone is a member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite. 1-Hydroxy-2-methylanthraquinone is a natural product found in Prismatomeris tetrandra, Galium spurium, and other organisms with data available. A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.
7-Hydroxy-2-phenyl-4H-1-benzopyran-4-one
7-hydroxyflavone is a hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. 7-Hydroxyflavone is a natural product found in Lawsonia inermis, Berberis dictyota, and other organisms with data available. 7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2]. 7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2]. 7-Hydroxyflavone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6665-86-7 (retrieved 2024-10-18) (CAS RN: 6665-86-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
6-Hydroxyflavone
6-Hydroxyflavone is a hydroxyflavonoid. 6-Hydroxyflavone is a natural product found in Scutellaria baicalensis with data available. 6-Hydroxyflavone is a naturally occurring flavone, with anti-inflammatory activity. 6-Hydroxyflavone exhibits inhibitory effect towards bovine hemoglobin (BHb) glycation. 6-Hydroxyflavone can activate AKT, ERK 1/2, and JNK signaling pathways to effectively promote osteoblastic differentiation. 6-Hydroxyflavone inhibits the LPS-induced NO production[1] [2]. 6-Hydroxyflavone is a naturally occurring flavone, with anti-inflammatory activity. 6-Hydroxyflavone exhibits inhibitory effect towards bovine hemoglobin (BHb) glycation. 6-Hydroxyflavone can activate AKT, ERK 1/2, and JNK signaling pathways to effectively promote osteoblastic differentiation. 6-Hydroxyflavone inhibits the LPS-induced NO production[1] [2].
HMAQ-one
2-(hydroxymethyl)anthraquinone is an anthraquinone. It has a role as a metabolite. 2-(Hydroxymethyl)anthraquinone is a natural product found in Rubia yunnanensis and Handroanthus impetiginosus with data available. 2-(Hydroxymethyl)anthraquinone is used as a photoremovable protecting group (PRPG) to chemically cage sex pheromone (e.g. (Z)-11-hexadecen-1-ol (sex pheromone of?Chilo infuscatellussnellen))[1]. 2-(Hydroxymethyl)anthraquinone is used as a photoremovable protecting group (PRPG) to chemically cage sex pheromone (e.g. (Z)-11-hexadecen-1-ol (sex pheromone of?Chilo infuscatellussnellen))[1].
3,4,5-Trimethoxycinnamic acid
IPB_RECORD: 2381; CONFIDENCE confident structure (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2].
3,4,5-Trimethoxycinnamic_acid
Acquisition and generation of the data is financially supported by the Max-Planck-Society
7-Hydroxyflavone
7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2]. 7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2]. 7-Hydroxyflavone is a flavonoid isolated from Clerodendrum phlomidis, with anti-inflammatory activity. 7-Hydroxyflavone protects renal cells from nicotine (NIC)-associated cytotoxicity via the ERK/Nrf2/HO-1 pathway[1][2].
3-Hydroxyflavone
Flavonol is an endogenous metabolite. Flavonol is an endogenous metabolite.
5-Hydroxyflavone
5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1]. 5-Hydroxyflavone, a flavonoid ligand, shows no cytotoxic activity against MCF-7, FaDU, MDA-MB-435S, U87, RPE-1, and HEK293 cells[1].
(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
8-hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetic acid
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
7-hydroxy-2-phenylchromen-4-one [IIN-based: Match]
7-hydroxy-2-phenylchromen-4-one [IIN-based on: CCMSLIB00000849074]
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based: Match]
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based on: CCMSLIB00000848590]
1,4-Diaminoanthraquinone
CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4327; ORIGINAL_PRECURSOR_SCAN_NO 4323 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4334; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4296; ORIGINAL_PRECURSOR_SCAN_NO 4294 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4319; ORIGINAL_PRECURSOR_SCAN_NO 4316 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4313; ORIGINAL_PRECURSOR_SCAN_NO 4311 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4308; ORIGINAL_PRECURSOR_SCAN_NO 4305 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8355; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8381; ORIGINAL_PRECURSOR_SCAN_NO 8379 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8411; ORIGINAL_PRECURSOR_SCAN_NO 8406 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8402 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8428; ORIGINAL_PRECURSOR_SCAN_NO 8425
Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]-
1-Propenyl 1-(propylsulfinyl)propyl disulfide
1-(1-Propenylsulfinyl)propyl propyl disulfide
2-Propenyl 1-(propylsulfinyl)propyl disulfide
Uranium
Uranium, also known as 92u or uran, is a member of the class of compounds known as homogeneous actinide compounds. Homogeneous actinide compounds are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Uranium can be found in a number of food items such as common hazelnut, soft-necked garlic, sunburst squash (pattypan squash), and red beetroot, which makes uranium a potential biomarker for the consumption of these food products. Uranium is formally rated as a carcinogenic (IARC 1) potentially toxic compound. Many contemporary uses of uranium exploit its unique nuclear properties. Uranium-235 is the only naturally occurring fissile isotope, which makes it widely used in nuclear power plants and nuclear weapons. However, because of the tiny amounts found in nature, uranium needs to undergo enrichment so that enough uranium-235 is present. Uranium-238 is fissionable by fast neutrons, and is fertile, meaning it can be transmuted to fissile plutonium-239 in a nuclear reactor. Another fissile isotope, uranium-233, can be produced from natural thorium and is also important in nuclear technology. Uranium-238 has a small probability for spontaneous fission or even induced fission with fast neutrons; uranium-235 and to a lesser degree uranium-233 have a much higher fission cross-section for slow neutrons. In sufficient concentration, these isotopes maintain a sustained nuclear chain reaction. This generates the heat in nuclear power reactors, and produces the fissile material for nuclear weapons. Depleted uranium (238U) is used in kinetic energy penetrators and armor plating. Uranium is used as a colorant in uranium glass, producing lemon yellow to green colors. Uranium glass fluoresces green in ultraviolet light. It was also used for tinting and shading in early photography .
Propanedioic acid,2-(2-furanylmethylene)-, 1,3-diethyl ester
ethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
ethyl(5-isocyanato-2-methylphenyl)carbamoyl chloride
6-Hydroxy-alpha-oxo-1,3-benzodioxole-5-acetic acid ethyl ester
8-CHLORO-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbaldehyde
(2-CHLORO-BENZOIMIDAZOL-1-YL)-ACETIC ACID ETHYL ESTER
9H-Fluorene-4-carboxylicacid, 9-oxo-, methyl ester
2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
1H-Isoindole-1,3(2H)-dione, 2-(6-methyl-2-pyridinyl)-
3-(2-Chloroethyl)-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
1H-Pyrazolo[3,4-d]pyrimidine,4-chloro-1-(tetrahydro-2H-pyran-2-yl)-
2,5-Dimethoxy-beta-oxobenzenepropanoic acid methyl ester
5-(chloromethyl)-3-[(4-methylphenoxy)methyl]-1,2,4-oxadiazole
sinitrodil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
3-(2,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde
2-(chloromethyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol,2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Benzo[b]naphtho[2,3-d]thiophene,7,8,9,10-tetrahydro-
Ethyl 6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, 6-chloro-2-Methyl-, Methyl ester
Ethyl 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
4-Chloro-5-(1,3-dioxolan-2-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridine
ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate
1-FURAN-2-YLMETHYL-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE
6-(TERT-BUTYL)-4-CHLORO-1H-PYRROLO[3,4-C]PYRIDINE-1,3(2H)-DIONE
4-chloro-1-(methoxymethyl)-2-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde
4-(4-METHYL-5-(METHYLSULFONYL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
3-(4-METHYL-5-(METHYLSULFONYL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
dimethyl 5-methoxy-3-methylbenzene-1,2-dicarboxylate
ethyl 6-chloro-5-cyano-2-ethylpyridine-3-carboxylate
Simethicone
D013501 - Surface-Active Agents > D000934 - Antifoaming Agents D003879 - Dermatologic Agents > D004643 - Emollients D001697 - Biomedical and Dental Materials
2-tert-Butyl-4-chloro-6-trifluoromethyl-pyrimidine
ETHYL 2-(5-CHLORO-1H-BENZO[D]IMIDAZOL-2-YL)ACETATE
6-chloro-4-propan-2-yloxypyrido[3,2-d]pyrimidin-2-amine
2-(2-[4-(TRIFLUOROMETHYL)PHENYL]HYDRAZONO)MALONONITRILE
3-(3,5-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
3-(2,3-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
5a-hydroxy-5,5a-dihydro-pyrido[4,3:4,5]pyrrolo[2,1-a]isoindol-10-one
TRANS-2-(2-THIOPHENECARBONYL)-1-CYCLOHEXANECARBOXYLIC ACID
1-[(4-CHLORO-3-ETHYL-1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-1H-IMIDAZOLE
ethyl 3-chloro-8-methylimidazo[1,2-a]pyridine-2-carboxylate
(6E)-6-(5-phenyl-3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one
4-(1H-IMIDAZOL-1-YLMETHYL)BENZOIC ACID HYDROCHLORIDE
3-(2-HYDROXY-4-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine
Cinametic acid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics
2-METHYL-1-OXO-1,2-DIHYDROBENZO[B]-1,6-NAPHTHYRIDINE-4-CARBALDEHYDE
(3E)-3-[(4-Hydroxyphenyl)imino]-1H-indol-2(3H)-one
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-
3,4-Bis(methoxycarbonyl)benzoic acid
A member of the class of benzoic acids that is benzoic acid substituted by methoxycarbonyl groups at positions 3 and 4 respectively.
2-Chloro-1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]ethanone
Carbamic acid, (2-chloroethylidene)di-, diethyl ester
5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide
(4S)-4-{[(2S)-2-Amino-3-oxopropyl]sulfanyl}-L-homoserine
CHEBI:28649
2-(Hydroxymethyl)anthraquinone is used as a photoremovable protecting group (PRPG) to chemically cage sex pheromone (e.g. (Z)-11-hexadecen-1-ol (sex pheromone of?Chilo infuscatellussnellen))[1]. 2-(Hydroxymethyl)anthraquinone is used as a photoremovable protecting group (PRPG) to chemically cage sex pheromone (e.g. (Z)-11-hexadecen-1-ol (sex pheromone of?Chilo infuscatellussnellen))[1].
(2S)-2-azaniumyl-3-(6-chloro-1H-indol-3-yl)propanoate
(2S)-2-azaniumyl-3-(7-chloro-1H-indol-3-yl)propanoate
(1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate
(2S)-2-ammonio-3-(5-chloro-1H-indol-3-yl)propanoate
(2R)-2-ammonio-3-(6-chloro-1H-indol-3-yl)propanoate
(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate
6-(2-hydroxypropanoyl)-4a,7-dihydro-1H-pteridine-2,4-dione
(2S,3R)-2-[(2-aminophenyl)amino]-3-carboxy-3-hydroxypropanoate
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole
5-(2-Fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole
2-(2,3-Dihydroxypropylamino)-5-nitro-3-pyridinecarbonitrile
Ethyl 4-chloro-2-(methylsulfanyl)hexahydropyrimidine-5-carboxylate
5-[(2,4,5-Trihydroxyphenyl)methyl]imidazolidine-2,4-dione
3,4,5-Trihydroxy-6-(2-hydroxyethoxy)oxane-2-carboxylic acid
8-Hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
7-chloro-L-tryptophan zwitterion
Zwitterionic form of 7-chloro-L-tryptophan.
5-chloro-L-tryptophan zwitterion
An L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the alpha-amino group of 5-chloro-L-tryptophan.
6-(1,2-dihydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
7-Hydroxyisoflavone
The simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7.
3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid
N-acetyl-S-phenyl-L-cysteine(1-)
An S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-phenyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3.
6-chloro-L-tryptophan zwitterion
An L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the alpha-amino group of 6-chloro-L-tryptophan; major species at pH 7.3.
2,3,5-trimethoxy-6-[(1e)-prop-1-en-1-yl]cyclohexa-2,5-diene-1,4-dione
(2r,3r)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
(2s,3s)-2-[(2s)-2-(hydroxymethyl)oxiran-2-yl]-5-methoxy-2,3-dihydro-1-benzofuran-3-ol
(2r,3r,7s)-3-hydroxy-7-methyl-2-[(1e)-prop-1-en-1-yl]-2h,3h,6h,7h-pyrano[2,3-b]pyran-4,5-dione
(3s,4s)-4,6,8-trihydroxy-3,4,5-trimethyl-3h-2-benzopyran-1-one
(2s)-2-amino-3-(4-chloro-1h-indol-3-yl)propanoic acid
(2s,3s,4s)-3,4-dihydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one
1-ethenyl-9h-pyrido[3,4-b]indole-3-carboxylic acid
(2r)-1-(2,4-dihydroxy-7,8-dihydropteridin-6-yl)-2-hydroxypropan-1-one
1-(prop-1-ene-1-sulfinyl)-1-(propyldisulfanyl)propane
anemarchalconyn
{"Ingredient_id": "HBIN016044","Ingredient_name": "anemarchalconyn","Alias": "NA","Ingredient_formula": "C15H10O3","Ingredient_Smile": "C1=CC(=CC=C1C#CC(=O)C2=CC=C(C=C2)O)O","Ingredient_weight": "238.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "28678","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44557158","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-94
{"Ingredient_id": "HBIN016343","Ingredient_name": "anticancer flavonoid pmv70p691-94","Alias": "NA","Ingredient_formula": "C15H10O3","Ingredient_Smile": "C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
