Exact Mass: 238.0732
Exact Mass Matches: 238.0732
Found 500 metabolites which its exact mass value is equals to given mass value 238.0732
,
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].
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
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)
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).
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
5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone
(R)-4-methoxy-7-(2-oxopropyl)-7,8-dihydropyrano[4,3-b]pyran-2(5H)-one|pyrenocine K
(3S)-3-((R)-1-hydroxyethyl)-6,8-dihydroxy-7-methyl-3,4-dihydroisocoumarin
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
2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetic acid
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
OCP_239.0946_17.0
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1301
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]-
Propanedioic acid,2-(2-furanylmethylene)-, 1,3-diethyl ester
ethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbaldehyde
1-(4-FLUORO-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLICACID
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)-
1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]-PYRAZINE-6-CARBOXYLIC ACID
1H-Pyrazolo[3,4-d]pyrimidine,4-chloro-1-(tetrahydro-2H-pyran-2-yl)-
6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE
2,5-Dimethoxy-beta-oxobenzenepropanoic acid methyl ester
2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
sinitrodil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
3-(2,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
PIPERIDINE-3-CARBOXYLIC ACID (4-CHLORO-PHENYL)-AMIDE
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde
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-
1(2H)-Isoquinolinone, 2-(3-aminopropyl)-, hydrochloride (1:1)
1-FURAN-2-YLMETHYL-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE
Piperidine, 1-[(2-chloro-3-pyridinyl)carbonyl]-3-methyl- (9CI)
dimethyl 5-methoxy-3-methylbenzene-1,2-dicarboxylate
6-chloro-4-propan-2-yloxypyrido[3,2-d]pyrimidin-2-amine
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
(6E)-6-(5-phenyl-3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one
3-(2-HYDROXY-4-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine
ISOPROPYL β-D-THIOGLUCOPYRANOSIDE
Spiro[3H-indole-3,4-piperidin]-2(1H)-one Hydrochloride
(4-AMINO-PIPERIDIN-1-YL)-(4-CHLORO-PHENYL)-METHANONE
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)-
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].
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
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
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.
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,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
(2s)-3-{[2-(4-hydroxyphenyl)acetyl]oxy}-2-methylpropanoic acid
(2s)-7-hydroperoxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
(2r)-1-(2,4-dihydroxy-7,8-dihydropteridin-6-yl)-2-hydroxypropan-1-one
(3r)-3,6,8-trihydroxy-3,5,7-trimethyl-4h-2-benzopyran-1-one
4,6,8-trihydroxy-3,4,5-trimethyl-3h-2-benzopyran-1-one
1-o-coumaroylglycerol; (±)-(e)-form
{"Ingredient_id": "HBIN002866","Ingredient_name": "1-o-coumaroylglycerol; (±)-(e)-form","Alias": "NA","Ingredient_formula": "C12H14O5","Ingredient_Smile": "NA","Ingredient_weight": "238.24","OB_score": "NA","CAS_id": "108026-22-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9142","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-coumaroylglycerol; (s,e)-form
{"Ingredient_id": "HBIN002868","Ingredient_name": "1-o-coumaroylglycerol; (s,e)-form","Alias": "NA","Ingredient_formula": "C12H14O5","Ingredient_Smile": "NA","Ingredient_weight": "238.24","OB_score": "NA","CAS_id": "114420-68-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9140","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-coumaroylglycerol; (e)-form
{"Ingredient_id": "HBIN006215","Ingredient_name": "2-o-coumaroylglycerol; (e)-form","Alias": "NA","Ingredient_formula": "C12H14O5","Ingredient_Smile": "NA","Ingredient_weight": "238.24","OB_score": "NA","CAS_id": "142942-87-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8541","PubChem_id": "NA","DrugBank_id": "NA"}
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"}