Exact Mass: 270.0892044
Exact Mass Matches: 270.0892044
Found 500 metabolites which its exact mass value is equals to given mass value 270.0892044,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isoimperatorin
Isoimperatorin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Isoimperatorin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isoimperatorin can be found in a number of food items such as parsley, lime, wild celery, and parsnip, which makes isoimperatorin a potential biomarker for the consumption of these food products. Isoimperatorin is a non-carcinogenic (not listed by IARC) potentially toxic compound. If the compound has been ingested, rapid gastric lavage should be performed using 5\\\\% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of -oximes has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB). D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
Imperatorin
Imperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a metabolite. Imperatorin is a natural product found in Allium wallichii, Ammi visnaga, and other organisms with data available. Imperatorin is found in anise. Imperatorin is present in Aegle marmelos (bael fruit) and seeds of Pastinaca sativa (parsnip).Imperatorin is a furocoumarin and a phytochemical that has been isolated from Urena lobata L. (Malvaceae). It is biosynthesized from umbelliferone, a coumarin derivative.Imperatorin has been shown to exhibit anti-hypertrophic and anti-convulsant functions (A7784, A7785).Imperatorin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. See also: Angelica Dahurica Root (part of); Aegle marmelos fruit (part of); Ammi majus seed (part of) ... View More ... Imperatorin is found in anise. Imperatorin is present in Aegle marmelos (bael fruit) and seeds of Pastinaca sativa (parsnip).Imperatorin is a furocoumarin and a phytochemical that has been isolated from Urena lobata L. (Malvaceae). It is biosynthesized from umbelliferone, a coumarin derivative A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Present in Aegle marmelos (bael fruit) and seeds of Pastinaca sativa (parsnip) INTERNAL_ID 2244; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2244 Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM. Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM.
Alloimperatorin
Alloimperatorin is a member of the class of compounds known as 8-hydroxypsoralens. 8-hydroxypsoralens are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group. Alloimperatorin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Alloimperatorin can be found in corn, which makes alloimperatorin a potential biomarker for the consumption of this food product. Alloimperatorin is a member of psoralens. Alloimperatorin is a natural product found in Campylotropis hirtella, Saposhnikovia divaricata, and other organisms with data available. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2]. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2].
Medicarpin
A member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9. (+)-medicarpin is the (+)-enantiomer of medicarpin. It is an enantiomer of a (-)-medicarpin. (+)-Medicarpin is a natural product found in Dalbergia sissoo, Machaerium acutifolium, and other organisms with data available. The (+)-enantiomer of medicarpin. (-)-medicarpin is the (-)-enantiomer of medicarpin. It has a role as a plant metabolite. It is an enantiomer of a (+)-medicarpin. Medicarpin is a natural product found in Cicer chorassanicum, Melilotus dentatus, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of); Medicago sativa whole (part of). The (-)-enantiomer of medicarpin. Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1]. Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1].
10,11-Dihydroxycarbamazepine
C15H14N2O3 (270.10043740000003)
10,11-Dihydroxycarbamazepine, also called carbamazepine diol, is a metabolite of both carbamazepine and oxcarbazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. Oxcarbazepine is an anticonvulsant and mood-stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. (Wikipedia) CONFIDENCE standard compound; INTERNAL_ID 8581 CONFIDENCE standard compound; INTERNAL_ID 2668 CONFIDENCE standard compound; INTERNAL_ID 4109
2'-O-Methylisoliquiritigenin
2-O-Methylisoliquiritigenin (CAS: 51828-10-5), also known as 4,4-dihydroxy-2-methoxychalcone or 3-deoxysappanchalcone, belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Thus, 2-O-methylisoliquiritigenin is considered to be a flavonoid lipid molecule. 2-O-Methylisoliquiritigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-O-Methylisoliquiritigenin is a stress metabolite of Pisum sativum (pea). Stress metabolite of Pisum sativum (pea). 2-Methylisoliquiritigenin is found in pulses and common pea. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1].
Pinostrobin
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5 and a methoxy group at position 7 respectively. Pinostrobin is a natural product found in Uvaria chamae, Zuccagnia punctata, and other organisms with data available.
Vignafuran
Constituent of Lablab niger (hyacinth bean). Vignafuran is found in hyacinth bean, pulses, and cowpea. Vignafuran is found in cowpea. Vignafuran is a constituent of Lablab niger (hyacinth bean).
Strobopinin
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 6 respectively.
Cadusafos
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Nitenpyram
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals Nitenpyram is a calss of neonicotinoid and an insect nicotinic acetylcholine receptor (nAChR) agonist with an IC50 of 14 nM. Nitenpyram is an oral fast-acting insecticide used to suppress sucking insects on companion animals[1][2].
Clitidine
A pyridine nucleoside comprising 4-imino-1,4-dihydro-3-pyridinecarboxylic acid as the nucleobase having the beta-ribofuranosyl moiety attached at position 1. A toxin produced by poisonous mushrooms.
Baeocystin
A tryptamine alkaloid that is N-methyltryptamine carrying an additional phosphoryloxy substituent at position 4.
Cnidin
Isoimperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. Isoimperatorin is a natural product found in Ferulago sylvatica, Prangos trifida, and other organisms with data available. Isoimperatorin is a tumor necrosis factor antagonist isolated from Glehniae root or from Poncirus trifoliate Raf (L579). Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. See also: Angelica archangelica root (part of). A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
Pinostrobin chalcone
Pinostrobin chalcone is a member of chalcones. Pinostrobin chalcone is a natural product found in Onychium siliculosum, Populus koreana, and other organisms with data available. Pinostrobin chalcone is found in pulses. Pinostrobin chalcone is isolated from Cajanus cajan (pigeon pea). Isolated from Cajanus cajan (pigeon pea). Pinostrobin chalcone is found in pulses. Pinostrobin chalcone is found to be potent natural cytotoxic compounds against MDA-MB-231 and HT-29 colon cancer cell lines(IC50 = 20.42±2.23 and 22.51±0.42 μg/mL)[1]. Pinostrobin chalcone is found to be potent natural cytotoxic compounds against MDA-MB-231 and HT-29 colon cancer cell lines(IC50 = 20.42±2.23 and 22.51±0.42 μg/mL)[1].
4-O-Methylpinosylvic acid
4-o-methylpinosylvic acid is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4-o-methylpinosylvic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 4-o-methylpinosylvic acid can be found in pulses, which makes 4-o-methylpinosylvic acid a potential biomarker for the consumption of this food product. 4-O-Methylpinosylvic acid is found in pulses. 4-O-Methylpinosylvic acid is a constituent of the leaves of Cajanus cajan (pigeon pea).
1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
Dihydroformononetin
Dihydroformononetin is a constituent of Myroxylon balsamum (Tolu balsam) trunkwood. Constituent of Myroxylon balsamum (Tolu balsam) trunkwood.
Isomedicarpin
Isomedicarpin is found in pulses. Isomedicarpin is a constituent of Psophocarpus tetragonolobus (winged bean). Constituent of Psophocarpus tetragonolobus (winged bean). Isomedicarpin is found in winged bean and pulses.
3,5-Dimethoxy-2,7-phenanthrenediol
3,5-Dimethoxy-2,7-phenanthrenediol is found in root vegetables. 3,5-Dimethoxy-2,7-phenanthrenediol is found in Dioscorea batatas (Chinese yam) inoculated with Pseudomonas cichori
Aspartyl-Histidine
Aspartyl-Histidine is a dipeptide composed of aspartate and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylaspartic acid
Histidylaspartic acid is a dipeptide composed of histidine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
D-erythro-L-galacto-Nonulose
D-erythro-L-gluco-Nonulose is found in avocado. D-erythro-L-gluco-Nonulose is isolated from avocado.
(2R)-5-Hydroxy-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
Pinostrobin, also known as 5-hydroxy-7-methoxyflavanone, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, pinostrobin is considered to be a flavonoid lipid molecule. Pinostrobin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pinostrobin can be found in a number of food items such as roman camomile, soursop, rocket salad, and angelica, which makes pinostrobin a potential biomarker for the consumption of these food products.
[(1S,2S)-2-[[2,2-Dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate
1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one
Medicarpin
Medicarpin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Medicarpin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Medicarpin can be found in black-eyed pea, broad bean, and chickpea, which makes medicarpin a potential biomarker for the consumption of these food products. Medicarpin is a pterocarpan, a derivative of isoflavonoids . Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1]. Medicarpin is a flavonoid isolated from Medicago sativa. Medicarpin induces apoptosis and overcome multidrug resistance in leukemia P388 cells by modulating P-gp-mediated efflux of agents[1].
Echinatin
Echinatin is a natural product found in Dracaena draco, Euphorbia helioscopia, and other organisms with data available. Echinatin is a chalcone isolated from the Chinese herbal medicine Gancao with hepatoprotective and anti-inflammatory effects[1]. Echinatin can be quickly absorbed and eliminated and extensively distributed with an absolute bioavailability of approximately 6.81\\% in Rat[2]. Echinatin is a chalcone isolated from the Chinese herbal medicine Gancao with hepatoprotective and anti-inflammatory effects[1]. Echinatin can be quickly absorbed and eliminated and extensively distributed with an absolute bioavailability of approximately 6.81\% in Rat[2].
Alpinetin
Alpinetin is a phytochemical isolated from a variety of plants including those of the genus Alpinia.[1] It is going through tests to see if it is a vasorelaxant.[2] Alpinetin is a natural product found in Alpinia blepharocalyx, Alnus firma, and other organisms with data available. Alpinetin is a flavonoid isolated from cardamom and has anti-inflammatory activity. Alpinetin inhibits lipopolysaccharide (LPS)-induced inflammation, activates PPAR-γ, activates Nrf2, and inhibits TLR4 expression to protect LPS-induced renal injury[1][2]. Alpinetin is a flavonoid isolated from Alpinia katsumadai Hayata, activates activates PPAR-γ, with potent anti-inflammatory activity[1]. Alpinetin is a flavonoid isolated from Alpinia katsumadai Hayata, activates activates PPAR-γ, with potent anti-inflammatory activity[1].
Cardamomin
Cardamonin is a member of chalcones. Cardamonin (also known as Dihydroxymethoxychalcone), as shown by the increasing number of publications, has received growing attention from the scientific community due to the expectations toward its benefits to human health. Cardamonins name comes from the fact that it can be found in cardamom spice. Cardamonin is a natural product found in Amomum subulatum, Alpinia blepharocalyx, and other organisms with data available. (E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. (E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. Cardamonin can be found from cardamom, and target various signaling molecules, transcriptional factors, cytokines and enzymes. Cardamonin can inhibit mTOR, NF-κB, Akt, STAT3, Wnt/β-catenin and COX-2. Cardamonin shows anticancer, anti-inflammatory, antimicrobial and antidiabetic activities[1][2].
Nudol
2,7-Phenanthrenediol, 3,4-dimethoxy- is a natural product found in Pinalia spicata, Bulbophyllum vaginatum, and other organisms with data available.
3-Methoxy-6-methyl-7-hydroxy-9,10-dihydrophenanthrene-1,4-dione
7-Methoxy-beta-Carboline 1-propionic acid
C15H14N2O3 (270.10043740000003)
2,4-dihydroxy-6-methoxychalcone
Cardamonin can be found from cardamom, and target various signaling molecules, transcriptional factors, cytokines and enzymes. Cardamonin can inhibit mTOR, NF-κB, Akt, STAT3, Wnt/β-catenin and COX-2. Cardamonin shows anticancer, anti-inflammatory, antimicrobial and antidiabetic activities[1][2].
Methyllucidone
Cardamonin
(E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. (E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM.
Pinostrobin chalcone
Pinostrobin chalcone is found to be potent natural cytotoxic compounds against MDA-MB-231 and HT-29 colon cancer cell lines(IC50 = 20.42±2.23 and 22.51±0.42 μg/mL)[1]. Pinostrobin chalcone is found to be potent natural cytotoxic compounds against MDA-MB-231 and HT-29 colon cancer cell lines(IC50 = 20.42±2.23 and 22.51±0.42 μg/mL)[1].
medazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3022
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
C15H14N2O3 (270.10043740000003)
1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
1-(2,5-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
7,4-Dihydroxyhomoisoflavanone
7,4-Dihydroxyhomoisoflavanone is a natural product found in Agave tequilana with data available.
2,3,7-trimethoxy-phenazine|2,3,7-Trimethoxyphenazin
C15H14N2O3 (270.10043740000003)
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid|scorzoerzincanin
4,5-Dihydroxy-2-methoxy-7-methyl-anthron|4,5-dihydroxy-2-methoxy-7-methyl-anthrone
5-hydroxy-6-(1,1-dimethyl-2-propenyl)-2H-furo<2,3-h><1>benzopyran-2-one
3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
6-hydroxy-4-methoxy-3-methylnaphto[1,2-b]oxepin-2(3H)-one|aggregatin A
NG-061
C15H14N2O3 (270.10043740000003)
A quinone imine that is 1,4-benzoquinone imine substituted by a methoxy group at position 3 and a (phenylacetyl)nitrilo group attached to the nitrogen atom. Isolated from the fermentation broth of Penicillium minioluteum, it exhibits neurotrophic effect of NGF.
(+-)5-Hydroxy-7-methoxy-flavanon|5-Hydroxy-7-methoxy-flavanon|5-hydroxy-7-methoxyflavanone
Pterolinus B
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a methoxy group at position 6, a methyl group at position 3 and a 4-hydroxyphenyl group at position 2. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity.
8-hydroxy-5-(1,1-dimethylallyl)psoralen|isodemethylfuropinarine
2-(4,5-dihydroxy-3-methoxy-2-methylphenyl)benzofuran|stemofuran U
9-Hydroxy-3,3,8-trimethyl-3H-naphtho[2,1-b]pyran-7,10-dione
COC1=CC=CC2=NC3=C(OC)C(OC)=CC=C3N=C21
C15H14N2O3 (270.10043740000003)
Imperatorin
Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM. Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM.
2-Hydroxy-3-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
8-Methoxy-2-isopropenylnaphtho[2,3-b]furan-4,9(2H,3H)-dione
1-Hydroxy-5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran
6-Hydroxy-7-methoxy-4-phenyl-chroman-2-on|6-hydroxy-7-methoxy-4-phenyl-chroman-2-one|dalbergin
(+-)-N-(4-Methylsulfin-butyl)-N-phenyl-thioharnstoff|N-(4-methanesulfinyl-butyl)-N-phenyl-thiourea|N-(4-Methansulfinyl-butyl)-N-phenyl-thioharnstoff|Sulforaphan-phenylthioharnstoff; N-Phenyl-N-<(4-methylsulfinyl)-butyl>-thioharnstoff
2'-O-Methylisoliquiritigenin
2-O-Methylisoliquiritigenin (CAS: 51828-10-5), also known as 4,4-dihydroxy-2-methoxychalcone or 3-deoxysappanchalcone, belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Thus, 2-O-methylisoliquiritigenin is considered to be a flavonoid lipid molecule. 2-O-Methylisoliquiritigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-O-Methylisoliquiritigenin is a stress metabolite of Pisum sativum (pea). 2-O-methylisoliquiritigenin is a member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2 is replaced by a methoxy group. It has a role as a metabolite. It is a member of chalcones, a monomethoxybenzene and a member of phenols. It is functionally related to an isoliquiritigenin. 2-O-Methylisoliquiritigenin is a natural product found in Dracaena draco, Dracaena cinnabari, and other organisms with data available. A member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2 is replaced by a methoxy group. Stress metabolite of Pisum sativum (pea). 2-Methylisoliquiritigenin is found in pulses and common pea. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1].
7-Methoxy-b-carboline-1-propionicacid
C15H14N2O3 (270.10043740000003)
7-Methoxy-beta-carboline-1-propionic acid is a natural product found in Eurycoma longifolia with data available.
10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2701 CONFIDENCE standard compound; INTERNAL_ID 2039
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
(2R)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid
(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one
7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Alloimperatorin
Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2]. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2].
C16H14O4_1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-methoxyphenyl)-, (3R)
(3R)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
Isoimperatorin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Origin: Plant, Coumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
Cuscutamine
C15H14N2O3 (270.10043740000003)
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based: Match]
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848051]
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000845053]
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848050]
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one [IIN-based: Match]
(3R)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one_major
Asp-his
A dipeptide composed of L-aspartic acid and L-histidine joined by a peptide linkage.
His-asp
A dipeptide formed from L-histidine and L-aspartic acid residues.
BENZYL (5-ACETYLPYRIDIN-2-YL)CARBAMATE
C15H14N2O3 (270.10043740000003)
4-(4-hydroxy-phenylazo)benzoic acid ethyl ester
C15H14N2O3 (270.10043740000003)
[1,1-Biphenyl]-2,2-dicarboxylicacid, 2,2-dimethyl ester
[1,1-BIPHENYL] 3,5-DICARBOXYLIC ACID DEMETHYL ESTER
3-(4-FORMYL-PHENOXYMETHYL)-BENZOIC ACID METHYL ESTER
2-(3-hydroxybutyl)-3H-benzimidazole-5-carboxylic acid,hydrochloride
(4-FLUORO-3-NITRO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
1,6-Hexanediylbis[chloro(dimethyl)silane]
C10H24Cl2Si2 (270.07935239999995)
n-(3-methoxyphenyl)-3-oxo-3-pyridin-3-ylpropanamide
C15H14N2O3 (270.10043740000003)
4-(METHOXYCARBONYL)-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
3-AMINO-3-(4,5-DIMETHOXY-2-NITRO-PHENYL)-PROPIONIC ACID
[1,1-Biphenyl]-3,3-dicarboxylicacid, 3,3-dimethyl ester
2-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YL)-1-(5-FLUORO-6-METHYLPYRIDIN-2-YL)ETHANONE
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid methyl ester nitrate
(S)-N-(TERT-BUTOXYCARBONYL)-3-HYDROXYPIPERIDINEHYDROCHLORIDE
1-(2-hydroxy-5-methoxyphenyl)-3-phenylpropane-1,3-dione
2-(naphthalene-1-carbonyl)-3-oxo-butyric acid methyl ester
(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate
BENZOIC ACID, 2-[(4-FORMYLPHENOXY)METHYL]-, METHYL ESTER
5-[(butylamino)sulphonyl]-2-methoxybenzenediazonium
2-{METHYL[2-(TRIFLUOROMETHYL)QUINOLIN-4-YL]AMINO}ETHAN-1-OL
9-(2-Deoxy-2-fluoro-D-arabinofuranosyl)hypoxanthine
N-(CARBOXYMETHYL)-N-[3-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)PROPYL]-GLYCINE
(+/-)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin
6-[(3,4-dimethylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL METHYLAMINE CHLORIDE
2-nitro-n-(1-phenylethyl)benzamide
C15H14N2O3 (270.10043740000003)
Benzene, 1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)-
1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
2-(4-Chloro-2-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-1,5-dihydro-1,5-benzodiazepin-4-one
2-((3,5-Dimethyl-4-hydroxyphenyl)azo)benzoic acid
C15H14N2O3 (270.10043740000003)
rac trans-10,11-Dihydro-10,11-dihydroxy Carbamazepine
C15H14N2O3 (270.10043740000003)
Ethyl 5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate
6-(4-Ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
2-(4-Methylanilino)-1-(4-nitrophenyl)ethanone
C15H14N2O3 (270.10043740000003)
(2R,3R,4S,5R)-2-(6-hydroxy-3,6-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
1,2-Di-tert-butyl-1,2-dichloro-1,2-dimethyldisilane
C10H24Cl2Si2 (270.07935239999995)
2-Hydroxy-7-methoxy-3-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
4H-Naphtho[1,2-b]pyran-4-one, 5,6-dimethoxy-2-methyl-
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 5,6-dihydro-1-oxo-, ethyl ester
C15H14N2O3 (270.10043740000003)
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-4-fluorobenzenolate
cardamomin
(E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. (E)-Cardamonin ((E)-Cardamomin) is a novel antagonist of hTRPA1 cation channel with an IC50 of 454 nM. Cardamonin can be found from cardamom, and target various signaling molecules, transcriptional factors, cytokines and enzymes. Cardamonin can inhibit mTOR, NF-κB, Akt, STAT3, Wnt/β-catenin and COX-2. Cardamonin shows anticancer, anti-inflammatory, antimicrobial and antidiabetic activities[1][2].
Ammidin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM. Imperatorin is an effective of NO synthesis inhibitor (IC50=9.2 μmol), which also is a BChE inhibitor (IC50=31.4 μmol). Imperatorin is a weak agonist of TRPV1 with EC50 of 12.6±3.2 μM.
482-45-1
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
2-O-Methylisoliquiritigenin
2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1]. 2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1].
Prangenidin
Alloimperatorin is a member of psoralens. Alloimperatorin is a natural product found in Campylotropis hirtella, Saposhnikovia divaricata, and other organisms with data available. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2]. Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica. Alloimperatorin (Prangenidin) has antitumor activity[1][2].
D-erythro-L-galacto-Nonulose
D-erythro-L-gluco-Nonulose is found in avocado. D-erythro-L-gluco-Nonulose is isolated from avocado. Isolated from avocado. D-erythro-L-gluco-Nonulose is found in avocado and fruits.
N-[(1E)-2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene]-2-phenylacetohydrazide
C15H14N2O3 (270.10043740000003)
1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxopyridine-3-carboxamide
(5S)-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid
C15H14N2O3 (270.10043740000003)
(2S)-4-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)-1,2-dihydropyrrol-5-one
C15H14N2O3 (270.10043740000003)
(S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone
1,6-Dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
3-Anilino-1-(3-nitrophenyl)-1-propanone
C15H14N2O3 (270.10043740000003)
5,6-dimethyl-N-(3-pyridinylmethyl)-4-thieno[2,3-d]pyrimidinamine
N-[(2-methoxyanilino)-oxomethyl]benzamide
C15H14N2O3 (270.10043740000003)
(2,5-Dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone
1-Hexanoyl-sn-glycero-3-phosphate
A 1-O-acyl-sn-glycero-3-phosphate in which the acyl group is specified as caproyl (hexanoyl).
N-(4-acetylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
C15H14N2O3 (270.10043740000003)
3-fluoro-6a,7,8,9,10,11-hexahydro-6H-azepino[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
4-acetamido-N-(2-hydroxyphenyl)benzamide
C15H14N2O3 (270.10043740000003)
N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N-methyl-2-nitroethene-1,1-diamine
5-(4-Nitrophenyl)-3-phenyloxazolidine
C15H14N2O3 (270.10043740000003)
(10s,11s)-10,11-Dihydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide
C15H14N2O3 (270.10043740000003)
(10R,11R)-dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
The (10R,11R)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
(2S)-8-Methylpinocembrin
A dihydroxyflavanone that is pinocembrin substituted by a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus.
(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
The (10S,11S)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.
2-Methoxyidazoxan (monohydrochloride)
2-Methoxyidazoxan monohydrochloride (RX821002 hydrochloride) is a highly selective alpha 2-adrenoceptor antagonist with little or no imidazoline antagonist effect. RX 821002 has markedly higher affinity for (guinea-pig) alpha 2D-adrenoceptors (pKd 9.7) than for (rabbit) alpha 2A-adrenoceptors (pKd 8.2)[1][2].
7-hydroxy-8-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2r)-5-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione
1-(2,4-dihydroxy-5-methoxyphenyl)-3-phenylprop-2-en-1-one
2-[(2e)-1-hydroxy-3-phenylbut-2-en-1-ylidene]-4-methoxycyclopent-4-ene-1,3-dione
(3s)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
(2s)-7-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
3-{7-methoxy-9h-pyrido[3,4-b]indol-1-yl}propanoic acid
C15H14N2O3 (270.10043740000003)
(3s)-9-hydroxy-7-methoxy-3-methyl-3h-naphtho[1,2-b]oxepin-2-one
(2z)-2-[(2e)-1-hydroxy-3-phenylbut-2-en-1-ylidene]-4-methoxycyclopent-4-ene-1,3-dione
2-[(1e)-2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
5-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-2h-1,3-benzodioxole
(3r,4s,5s,6s,7r,8r)-1,3,4,5,6,7,8,9-octahydroxynonan-2-one
9-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}furo[3,2-g]chromen-7-one
2-[1-(4-hydroxyphenyl)prop-2-en-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
(2e)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
7-hydroxy-3-methoxy-6-methyl-9,10-dihydrophenanthrene-1,4-dione
9-hydroxy-7-methoxy-3-methyl-3h-naphtho[1,2-b]oxepin-2-one
(4r)-6-hydroxy-7-methoxy-4-phenyl-3,4-dihydro-1-benzopyran-2-one
2,4,2'-trihydroxy-5'-methylchalcone
{"Ingredient_id": "HBIN004202","Ingredient_name": "2,4,2'-trihydroxy-5'-methylchalcone ","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "CC1=CC(=C(C=C1)O)C(=O)C=CC2=C(C=C(C=C2)O)O","Ingredient_weight": "270.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21397","PubChem_id": "6474196","DrugBank_id": "NA"}
(2S)-7-hydroxy-6-methoxyflavanone
{"Ingredient_id": "HBIN006791","Ingredient_name": "(2S)-7-hydroxy-6-methoxyflavanone","Alias": "(2S)-7-hydroxy-6-methoxy-flavanone","Ingredient_formula": "C16H14O4","Ingredient_Smile": "COC1=C(C=C2C(=C1)C(=O)CC(O2)C3=CC=CC=C3)O","Ingredient_weight": "270.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35694;36651","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "25022738","DrugBank_id": "NA"}
7,3′,4′-trihydroxy-3-benzyl-2H-chromene
{"Ingredient_id": "HBIN012903","Ingredient_name": "7,3\u2032,4\u2032-trihydroxy-3-benzyl-2H-chromene","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "C1C(=CC2=C(O1)C=C(C=C2)O)CC3=CC(=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41150","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-β-carboline-1-propionicacid
C15H14N2O3 (270.10043740000003)
{"Ingredient_id": "HBIN013339","Ingredient_name": "7-methoxy-\u03b2-carboline-1-propionicacid","Alias": "NA","Ingredient_formula": "C15H14N2O3","Ingredient_Smile": "COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13864","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alloimperalorin
{"Ingredient_id": "HBIN015223","Ingredient_name": "alloimperalorin","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33527","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
amoenumin
{"Ingredient_id": "HBIN015881","Ingredient_name": "amoenumin","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "NA","Ingredient_weight": "270.28","OB_score": "NA","CAS_id": "115531-76-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6834","PubChem_id": "NA","DrugBank_id": "NA"}
anhydroalkannin
{"Ingredient_id": "HBIN016150","Ingredient_name": "anhydroalkannin","Alias": "2-[(6Z)-2,9-dimethyldeca-2,6,8-trien-5-yl]-5,8-dihydroxynaphthalene-1,4-dione; AC1NSXHP","Ingredient_formula": "C16H14O4","Ingredient_Smile": "CC(=CC=CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C","Ingredient_weight": "270.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14311","TCMID_id": "1259","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101626182","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-101
{"Ingredient_id": "HBIN016331","Ingredient_name": "anticancer flavonoid pmv70p691-101","Alias": "NA","Ingredient_formula": "C16H14O4","Ingredient_Smile": "COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-methoxy-5-methyl-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-4,12-diol
9-ethenyl-9-methyl-2-phenyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
(3s)-7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1r,10r)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,14,15-triol
(3s)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2-benzopyran-1-one
1,8-dihydroxy-3-methoxy-6-methyl-10h-anthracen-9-one
3-{6-methoxy-9h-pyrido[3,4-b]indol-1-yl}propanoic acid
C15H14N2O3 (270.10043740000003)
4-methoxy-5-methyl-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6,12-diol
1,6-dihydroxy-8-methoxy-3-methyl-10h-anthracen-9-one
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxopyridine-3-carboximidic acid
(2s,4e)-5-hydroxy-4-(1-hydroxyethylidene)-2-(1h-indol-3-ylmethyl)-2h-pyrrol-3-one
C15H14N2O3 (270.10043740000003)
(3s)-3-amino-3-{[(1s)-1-carboxy-2-(3h-imidazol-4-yl)ethyl]-c-hydroxycarbonimidoyl}propanoic acid
14-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-6,12-diol
n-[(4-hydroxy-2-methoxyphenyl)imino]-2-phenylacetamide
C15H14N2O3 (270.10043740000003)
5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
(2e)-4-methoxy-2-[(2e)-1-methoxy-3-phenylprop-2-en-1-ylidene]cyclopent-4-ene-1,3-dione
methyl 2-[(1r)-1-(acetyloxy)hexa-2,4-diyn-1-yl]benzoate
(2s)-2,3-dihydroxy-1-{4-methyl-9h-pyrido[3,4-b]indol-1-yl}propan-1-one
C15H14N2O3 (270.10043740000003)
(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydro-1-benzopyran-4-one
5-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione
5-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-6,13-diol
2-hydroxy-4-methoxy-6-(2-phenylethenyl)benzoic acid
(3s)-3-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-2-benzopyran-1-one
2-[(1s)-1-(4-hydroxyphenyl)prop-2-en-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
methyl 2-[1-(acetyloxy)hexa-2,4-diyn-1-yl]benzoate
6-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[1,2-b]furan-4,5-dione
(1s)-4,5-dihydroxy-11-oxatetracyclo[7.7.1.0¹,¹².0²,⁷]heptadeca-2,4,6,12,15-pentaen-14-one
(5s,9s)-9-ethenyl-9-methyl-2-phenyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxopyridine-3-carboximidic acid
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid
5-[(1z)-3-[3-(hepta-1,2-dien-4,6-diyn-1-yl)oxiran-2-yl]-3-hydroxyprop-1-en-1-yl]oxolan-2-one
6-hydroxy-7-methoxy-4-phenyl-3,4-dihydro-1-benzopyran-2-one
5-[(1e)-3-hydroxy-4-oxododeca-1,6,7-trien-9,11-diyn-1-yl]oxolan-2-one
5-{3-[3-(hepta-1,2-dien-4,6-diyn-1-yl)oxiran-2-yl]-3-hydroxyprop-1-en-1-yl}oxolan-2-one
4,5-dihydroxy-2-methoxy-7-methyl-10h-anthracen-9-one
1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid
11-methoxy-5h,6h,9h-phenanthro[2,3-d][1,3]dioxol-3-ol
2-hydroxy-4-methoxy-6-[(1e)-2-phenylethenyl]benzoic acid
9-ethoxy-3,8-dimethylimidazo[4,3-a]isoquinoline-7,10-dione
C15H14N2O3 (270.10043740000003)
3-(hydroxymethyl)-9-methoxy-5-methylnaphtho[2,3-b]furan-4-carbaldehyde
4-(hydroxymethyl)-6-methyl-8-methylidene-9h-pyrido[3,2-g]quinoline-2,10-diol
C15H14N2O3 (270.10043740000003)
1-[(1s)-1-hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.0⁴,¹³]trideca-2,4,6,8(13),9,11-hexaen-12-yl]propan-2-one
C15H14N2O3 (270.10043740000003)
9-[(3-methylbut-1-en-1-yl)oxy]furo[3,2-g]chromen-7-one
11,12-dimethoxy-6-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-3-carbaldehyde
2-hydroxy-3-(3-methylbut-2-en-1-yl)furo[3,2-g]chromen-7-one
(2e)-1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
3-(2,4-dihydroxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
(2s)-2-(2h-1,3-benzodioxol-5-yl)-3,4-dihydro-2h-1-benzopyran-7-ol
6-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-5,13-diol
methyl 1-[(1s)-1-hydroxyethyl]-9h-pyrido[3,4-b]indole-3-carboxylate
C15H14N2O3 (270.10043740000003)
2-[(1r)-1-(4-hydroxyphenyl)prop-2-en-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
(2s)-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(2s)-7-hydroxy-8-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
4-hydroxy-9-(3-methylbut-2-en-1-yl)furo[3,2-g]chromen-7-one
(2e)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
(2r)-8-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione
(2e)-1-(2,5-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
(2r)-6-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[1,2-b]furan-4,5-dione
3-methoxyphenyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
9-{[(1e)-3-methylbut-1-en-1-yl]oxy}furo[3,2-g]chromen-7-one
4-methoxy-2-(1-methoxy-3-phenylprop-2-en-1-ylidene)cyclopent-4-ene-1,3-dione
(3r)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
2,3-dihydroxy-1-{4-methyl-9h-pyrido[3,4-b]indol-1-yl}propan-1-one
C15H14N2O3 (270.10043740000003)
8-methoxy-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-dione
3,13-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1,3,5,7,9,11,14,16,18-nonaen-20-one
5-ethyl-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,6,8,10,12-hexaen-2-one
C15H14N2O3 (270.10043740000003)
(2e)-3-(2,4-dihydroxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylprop-2-en-1-one
9-[(3,3-dimethyloxiran-2-yl)methyl]furo[3,2-g]chromen-7-one
3,4-dihydroxy-5-[4-(prop-2-en-1-yl)phenoxy]benzaldehyde
(2e)-3-(2,6-dihydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
(3r,4s,5r,6s,7r,8r)-1,3,4,5,6,7,8,9-octahydroxynonan-2-one
(4r)-4-ethenyl-4,10-dimethyl-3h-pyrano[3,2-c]chromene-2,5-dione
2-(2h-1,3-benzodioxol-5-yl)-3,4-dihydro-2h-1-benzopyran-7-ol
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(3h-imidazol-4-yl)propylidene]amino}butanedioic acid
2-(3-hydroxy-5-methoxy-2-methylphenyl)-1-benzofuran-4-ol
methyl 3-{6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoate
C15H14N2O3 (270.10043740000003)
3,4,8,9,11,12-hexahydro-2,7-dioxatetraphene-1,6-dione
12-hydroxy-11-isopropyl-6-methyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
3-(2,6-dihydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
(2e)-2-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one
3-(hydroxymethyl)-9-methoxy-8-methylnaphtho[2,3-b]furan-4-carbaldehyde
1-{1-hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.0⁴,¹³]trideca-2,4,6,8(13),9,11-hexaen-12-yl}propan-2-one
C15H14N2O3 (270.10043740000003)
3-(hydroxymethyl)-9-methoxy-4-methylnaphtho[2,3-b]furan-5-carbaldehyde
(5s)-3-oxo-1h,2h,5h,6h,11h,11bh-indolo[3,2-g]indolizine-5-carboxylic acid
C15H14N2O3 (270.10043740000003)
6-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-h]chromen-2-one
5-hydroxy-4-(1-hydroxyethylidene)-2-(1h-indol-3-ylmethyl)-2h-pyrrol-3-one
C15H14N2O3 (270.10043740000003)