Exact Mass: 242.1107
Exact Mass Matches: 242.1107
Found 500 metabolites which its exact mass value is equals to given mass value 242.1107,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
lapachone
Beta-lapachone is a benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. It has a role as an antineoplastic agent, an anti-inflammatory agent and a plant metabolite. It is a benzochromenone and a member of orthoquinones. Lapachone has been used in trials studying the treatment of Cancer, Carcinoma, Advanced Solid Tumors, Head and Neck Neoplasms, and Carcinoma, Squamous Cell. beta-Lapachone is a natural product found in Markhamia stipulata, Markhamia lutea, and other organisms with data available. Lapachone is a poorly soluble, ortho-naphthoquinone with potential antineoplastic and radiosensitizing activity. Beta-lapachone (b-lap) is bioactivated by NAD(P)H:quinone oxidoreductase-1 (NQO1), creating a futile oxidoreduction that generates high levels of superoxide. In turn, the highly reactive oxygen species (ROS) interact with DNA, thereby causing single-strand DNA breaks and calcium release from endoplasmic reticulum (ER) stores. Eventually, the extensive DNA damage causes hyperactivation of poly(ADP-ribose) polymerase-1 (PARP-1), an enzyme facilitating DNA repair, accompanied by rapid depletion of NAD+/ATP nucleotide levels. As a result, a caspase-independent and ER-stress induced mu-calpain-mediated cell death occurs in NQO1-overexpressing tumor cells. NQO1, a flavoprotein and two-electron oxidoreductase, is overexpressed in a variety of tumors. A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression. β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.
Pinostilbene
3-methoxy-4,5-dihydroxy-trans-stilbene is a stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether. It is functionally related to a trans-resveratrol. 3-Methoxy-4,5-dihydroxy-trans-stilbene is a natural product found in Soymida febrifuga, Rumex bucephalophorus, and other organisms with data available. A stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether. Pinostilbene (trans-Pinostilbene) is a major metabolite of Pterostilbene. Pinostilbene exhibits inhibitory effects on colon cancer cells[1]. Pinostilbene (trans-Pinostilbene) is a major metabolite of Pterostilbene. Pinostilbene exhibits inhibitory effects on colon cancer cells[1].
Equol
Equol is a metabolite of daidzein, a phytoestrogen common in the human diet and abundant in soy. Intestinal bacteria in humans can reduce daidzein to equol, and can be found in normal human urine. The clinical effectiveness of soy isoflavones may be a function of the ability to biotransform soy isoflavones to the more potent estrogenic metabolite, equol, which may enhance the actions of soy isoflavones, owing to its greater affinity for estrogen receptors, unique antiandrogenic properties, and superior antioxidant activity. However, not all individuals consuming daidzein produce equol. Only approximately one-third to one-half of the population is able to metabolize daidzein to equol. This high variability in equol production is presumably attributable to interindividual differences in the composition of the intestinal microflora, which may play an important role in the mechanisms of action of isoflavones. (PMID: 17579895, 17579894). Equol can be found in Bacteroides, Bifidobacterium, Enterococcus, Lactobacillus and Eggerthella (PMID: 20519412; PMID: 18838805). Equol is a metabolite of daidzein, a phytoestrogen common in the human diet and abundant in soy. Intestinal bacteria in humans can reduce daidzein to equol, and can be found in normal human urine. The clinical effectiveness of soy isoflavones may be a function of the ability to biotransform soy isoflavones to the more potent estrogenic metabolite, equol, which may enhance the actions of soy isoflavones, owing to its greater affinity for estrogen receptors, unique antiandrogenic properties, and superior antioxidant activity. However, not all individuals consuming daidzein produce equol. Only approximately one-third to one-half of the population is able to metabolize daidzein to equol. This high variability in equol production is presumably attributable to interindividual differences in the composition of the intestinal microflora, which may play an important role in the mechanisms of action of isoflavones. (PMID: 17579895, 17579894) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (±)-Equol is the racemate of equol. (±)-equol exhibits EC50s of 200 and 74 nM for human ERα and ERβ, respectively. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
Thiopental
A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration. It is also used for hypnosis and for the control of convulsive states. It has been used in neurosurgical patients to reduce increased intracranial pressure. It does not produce any excitation but has poor analgesic and muscle relaxant properties. Small doses have been shown to be anti-analgesic and lower the pain threshold. (From Martindale, The Extra Pharmacopoeia, 30th ed, p920) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent EAWAG_UCHEM_ID 2742; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 2742
Lapachol
Lapachol is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae. It has a role as a plant metabolite, an antineoplastic agent, an antibacterial agent and an anti-inflammatory agent. It is a hydroxy-1,4-naphthoquinone and an olefinic compound. NA is a natural product found in Plenckia populnea, Stereospermum colais, and other organisms with data available. A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents [Raw Data] CB290_Lapachol_pos_40eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_50eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_10eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_30eV_CB000086.txt [Raw Data] CB290_Lapachol_pos_20eV_CB000086.txt [Raw Data] CB290_Lapachol_neg_10eV_000049.txt [Raw Data] CB290_Lapachol_neg_20eV_000049.txt [Raw Data] CB290_Lapachol_neg_40eV_000049.txt [Raw Data] CB290_Lapachol_neg_50eV_000049.txt [Raw Data] CB290_Lapachol_neg_30eV_000049.txt Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2]. Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2].
beta-Lapachone
[Raw Data] CB138_beta-Lapachone_pos_30eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_50eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_10eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_20eV_CB000050.txt [Raw Data] CB138_beta-Lapachone_pos_40eV_CB000050.txt β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression. β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.
Fenoprofen
Fenoprofen is only found in individuals that have used or taken this drug. It is an anti-inflammatory analgesic and antipyretic highly bound to plasma proteins. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. [PubChem]Fenoprofens exact mode of action is unknown, but it is thought that prostaglandin synthetase inhibition is involved. Fenoprofen has been shown to inhibit prostaglandin synthetase isolated from bovine seminal vesicles. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
1,5-Diphenylcarbazide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents KEIO_ID D166; [MS2] KO009100 KEIO_ID D166
Lusianthridin
7-methoxy-9,10-dihydrophenanthrene-2,5-diol is a dihydrophenanthrene. 7-Methoxy-9,10-dihydrophenanthrene-2,5-diol is a natural product found in Dendrobium loddigesii, Pleione bulbocodioides, and other organisms with data available.
SIN-10;Morsydomine
D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Equol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens 3-(4-Hydroxyphenyl)chroman-7-ol is a member of hydroxyisoflavans. (±)-Equol is the racemate of equol. (±)-equol exhibits EC50s of 200 and 74 nM for human ERα and ERβ, respectively. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
Histidylserine
Histidylserine is a dipeptide composed of histidine and serine. 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-D-galacto-octitol
D-erythro-D-galacto-octitol is found in avocado. D-erythro-D-galacto-octitol is isolated from avocad Isolated from avocado. D-erythro-D-galacto-octitol is found in avocado and fruits.
Citrubuntin
Citrubuntin is found in citrus. Citrubuntin is a constituent of Citrus grandis (pummelo). Constituent of Citrus grandis (pummelo). Citrubuntin is found in citrus.
2,3-Dihydroxy-1,3-diphenyl-1-propanone
2,3-Dihydroxy-1,3-diphenyl-1-propanone is found in fats and oils. 2,3-Dihydroxy-1,3-diphenyl-1-propanone is a constituent of peanut oil Constituent of peanut oil. 2,3-Dihydroxy-1,3-diphenyl-1-propanone is found in fats and oils and nuts.
Serylhistidine
Serylhistidine is a dipeptide composed of serine 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.
1-Phenyl-6,7-dihydroxy-isochroman
1-Phenyl-6,7-dihydroxy-isochroman is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Phenethyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Phenethyl salicylate is used imitation fruit flavour It is used imitation fruit flavours
Guaicyl phenylacetate
Guaicyl phenylacetate is a flavouring ingredient. Flavouring ingredient
(S,S)-Nt-Histidinylalanine
(S,S)-Nt-Histidinylalanine is found in milk and milk products. (S,S)-Nt-Histidinylalanine is present in heated milk. Implicated in non-enzymic casein crosslinking of UHT milk and of yoghurts prepared from UHT milk. Also present in the extrapallial fluid of the estuarine clam (Rangia cuneata). Present in heated milk. Implicated in non-enzymic casein crosslinking of UHT milk and of yoghurts prepared from UHT milkand is) also present in the extrapallial fluid of the estuarine clam (Rangia cuneata). (S,S)-Nt-Histidinylalanine is found in milk and milk products and mollusks.
(S,S)-Np-Histidinylalanine
(S,S)-Np-Histidinylalanine is found in milk and milk products. (S,S)-Np-Histidinylalanine is isolated from heated milk and from the extrapallial fluid of the estuarine clam (Rangia cuneata). Isolated from heated milk and from the extrapallial fluid of the estuarine clam (Rangia cuneata). (S,S)-Np-Histidinylalanine is found in milk and milk products and mollusks.
2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine
1-Ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-
3-(3-Methylbut-2-enyl)naphthalene-1,2,4-trione
Diethylene glycol dimethacrylate
lapachol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2]. Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae)[1]. Lapachol shows anti-abscess, anti-ulcer, antileishmanial, anticarcinomic, antiedemic, anti-inflammatory, antimalarial, antiseptic, antitumor, antiviral, antibacterial, antifungal and pesticidal activities[2].
4-Amino-1-[(2R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
4-Vinylsyringol
4-vinylsyringol 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-vinylsyringol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-vinylsyringol can be found in rape, which makes 4-vinylsyringol a potential biomarker for the consumption of this food product. 4-vinylsyringol is a phenolic compound found in crude canola oil. It is produced by decarboxylation of sinapic acid during canola seed roasting .
Taraxacine
Taraxacine is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. Taraxacine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Taraxacine can be found in dandelion, which makes taraxacine a potential biomarker for the consumption of this food product.
α-Lapachone
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors [Raw Data] CB137_alpha-Lapachone_pos_50eV_CB000049.txt D004791 - Enzyme Inhibitors [Raw Data] CB137_alpha-Lapachone_pos_40eV_CB000049.txt [Raw Data] CB137_alpha-Lapachone_pos_30eV_CB000049.txt [Raw Data] CB137_alpha-Lapachone_pos_20eV_CB000049.txt [Raw Data] CB137_alpha-Lapachone_pos_10eV_CB000049.txt α-Lapachone shows trypanocidal activity[1]. α-Lapachone shows trypanocidal activity[1].
1-(Furan-3-yl)-3,3,6-trimethylcyclopenta[c]pyran-7-one
1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
4-Methoxyresveratrol
5-[2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol is a stilbenoid. (E)-5-(4-Methoxystyryl)benzene-1,3-diol is a natural product found in Alpinia hainanensis, Rheum undulatum, and other organisms with data available. 4'-Methoxyresveratrol (4'-O-Methylresveratrol) is a polyphenol derived from Dipterocarpaceae, with antiandrogenic, antifungal and anti-inflammatory activities. 4'-Methoxyresveratrol alleviates AGE-induced inflammation through suppressing RAGE-mediated MAPK/NF-κB signaling pathway and NLRP3 inflammasome activation[1]. 4'-Methoxyresveratrol (4'-O-Methylresveratrol) is a polyphenol derived from Dipterocarpaceae, with antiandrogenic, antifungal and anti-inflammatory activities. 4'-Methoxyresveratrol alleviates AGE-induced inflammation through suppressing RAGE-mediated MAPK/NF-κB signaling pathway and NLRP3 inflammasome activation[1].
Equol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM. (±)-Equol is the racemate of equol. (±)-equol exhibits EC50s of 200 and 74 nM for human ERα and ERβ, respectively. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
molsidomine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2,2,5-trimethyl-2h,8h-benzo[1,2-b:5,4-b]dipyran-8-one
CL-low|E-1-(2-phenoxyethenyl)-3-hydroxy-5-methoxybenzene|phenyl E-(3-hydroxy-5-methoxy)-styryl ether
2-Ac-(3E,5Z)-3,5-Tridecadiene-7,9,11--triyne-1,2-diol
3-(4-Hydroxy-3,5-dimethoxyphenyl)-3-methoxy-1-propanol
(S)-Xanthorrhoeol|1-(5-hydroxy-2-methyl-2,3-dihydro-benzo[de]chromen-4-yl)-ethanone|Xanthorrhoeol
8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid|8-Hydroxy-2,7-dimethyl-decadien-(2,4)-disaeure-(1,10)
4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthrene|lusianthridin
(2R,3S,4R,4aS,7R,8aS)-hexahydro-3,4-dihydroxy-7-methyl-2-[(1E)-prop-1-enyl]pyrano[4,3-b]pyran-5(7H)-one|(?)-dinemasone B|dinemasone B
1-Hydroxy-6-(2-methypropyl)-3-[2-(methylthio)-ethyl]-2(1H)-pyrazinone
(+-)?-2-Acetoxy-trideca-3t,11t-dien-5,7,9-triin-1-ol
1-Ac-(E,E)-3,5-Tridecadiene-7,9,11-triyne-1,2-diol
5-[2-(4-hydroxyphenyl)ethenyl]-2-methylbenzene-1,3-diol
cordysinin E
A member of the class of beta-carbolines that is beta-carboline substituted by a (2R)-2,3-dihydroxypropyl group at position 1. It has been isolated from the mycelia of Cordyceps sinensis.
5,9-dihydroxy-2-methyl-3,4-dihydroanthracen-1(2H)-one|menamesone A
(2R)-4-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)-2-hydroxypent-3-anoic acid methyl ester|dasycarpus ester B
4-hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione
1a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
2-Hydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one
1-Hydroxy-3-(2-methylpropul)-6-[2-(methylthio)-ethyl]-2-(1H)-pyrazinone
1-(2,6-dihydroxyphenyl)-3-phenylpropan-1-one|1-(2,6-dihydroxyphenyl)-3-phenylpropan-1-one
(+)-isoacetylsaturejol|Acetylsaturejol|isoacetylsaturejol
1-ethyl-4-methoxy-9H-pyrido<3,4-b>indol-5-ol|5-hydroxycrenatine
(2E,4E)-8-Hydroxy-2,7-dimethyl-decadien-(2,4)-disaeure-(1,10)-dioic acid
Viteralone
Viteralone is a natural product found in Vitex negundo with data available.
Tupichinol C
Tupichinol C is a natural product found in Soymida febrifuga and Broussonetia kazinoki with data available.
VPE3AOX9QV
Alpha-Lapachone is an organic heterotricyclic compound and an organooxygen compound. alpha-Lapachone is a natural product found in Firmiana simplex, Catalpa ovata, and other organisms with data available. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors α-Lapachone shows trypanocidal activity[1]. α-Lapachone shows trypanocidal activity[1].
Histidylserine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.044 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.043
7-methoxy-9,10-dihydrophenanthrene-2,5-diol
1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
C15H14O3_3-[(E)-2-(3-Hydroxyphenyl)vinyl]-5-methoxyphenol
3-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxyphenol
thiopental
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
fenoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
3-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxyphenol_major
β-Lapachone
β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression. β-Lapachone (ARQ-501;NSC-26326) is a naturally occurring O-naphthoquinone, acts as a topoisomerase I inhibitor, and induces apoptosis by inhibiting cell cycle progression.
2-(5-formyl-3,4-dihydro-2,2-dimethyl-2H-pyran-6-yl)-Benzoic acid
2-hydroxy-N-methyl-N-(pyridin-4-ylmethyl)benzamide
2-METHYL-3-((PYRIDIN-2-YLMETHYL)AMINO)BENZOIC ACID
(4-OXO-6-PIPERAZIN-1-YL-4H-QUINAZOLIN-3-YL)-ACETICACID
Benzylmandelate
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
7-ISOPROPYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLIC ACID
2-{5-[(1H-1,2,4-TR IAZOOL-1-YL)METHYL]INDOOL-3-YL}ETHAAN-1-OL
5-METHOXY-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
5-METHOXY-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
5-METHOXY-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-METHOXY-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-METHOXY-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-METHOXY-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2-METHOXY-5-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
Benzeneacetic acid, a-hydroxy-a-phenyl-, hydrazide
isonixin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5-ISOPROPYL-4-METHOXY-2-METHYL-BENZENESULFONYL CHLORIDE
METHYL 5-CYCLOPROPYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentane-1-carboxylate
6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine
7-(2-FURYLMETHYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
methyl 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)acrylate
BENZO[1,3]DIOXOL-5-YLMETHYL-PYRIDIN-3-YLMETHYL-AMINE
2-Chloro-1-Methylimidazole-5-boronic Acid Pinacol Ester
Carbamic acid,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-, ethylester
Pyrrolidine, 1-[(4-hydroxy-3-quinolinyl)carbonyl]- (9CI)
7-Isopropoxy-6-methyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
2-(4-(TERT-BUTYL)PHENOXY)ACETIMIDAMIDE HYDROCHLORIDE
(2,5-DIMETHOXY-BENZYL)-(2-METHOXY-1-METHYL-ETHYL)-AMINE
Ethyl 8-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
BENZO[1,3]DIOXOL-5-YLMETHYL-PYRIDIN-2-YLMETHYL-AMINE
methyl 3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoate
Morpholine,4,4-(1,3-dioxo-1,3-propanediyl)bis- (9CI)
1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBONITRILE
TERT-BUTYL 3-OXOTETRAHYDRO-1H-OXAZOLO[3,4-A]PYRAZINE-7(3H)-CARBOXYLATE
4-Oxo-1,1-cyclohexanedicarboxylic acid 1,1-diethyl ester
(2,4-DICHLOROPHENOXY)ACETICACID-BUTOXYPOLYPROPYLENEGLYCOLESTER
(1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRAZOL-5-YL)BORONIC ACID
N-[(E)-benzylideneamino]-2,5-dimethylfuran-3-carboxamide
2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-5-[[(trimethylsilyl)oxy]methyl]-
4-Amino-1-[(2R,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
3-(5-methyl-2-furyl)-N-(2-pyridinylmethyl)acrylamide
2-(4-Fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
N-(5-methyl-3-isoxazolyl)-3-(4-methylphenyl)acrylamide
Diphenylcarbazide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-
4,10-dihydroxy-12-methyl-1-oxacyclododec-5-ene-2,8-dione
n-[(2s)-2-hydroxy-2-phenylethyl]pyridine-3-carboximidic acid
7,8-dihydroxy-10-(1-hydroxypropyl)-7,8,9,10-tetrahydrooxecin-2-one
4,5-dihydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylcyclohex-2-en-1-one
(1r)-2-methoxy-1-{9h-pyrido[3,4-b]indol-1-yl}ethanol
(1s,6s,7r)-6,7-dihydroxy-1-[(1r)-1-hydroxybutyl]-3,5,6,7-tetrahydro-1h-2-benzofuran-4-one
3,4-dihydroxy-7-methyl-2-(prop-1-en-1-yl)-hexahydro-2h-pyrano[3,2-c]pyran-5-one
ethyl (4r,4ar,7s,7as)-7-hydroxy-7-methyl-1-oxo-hexahydrocyclopenta[c]pyran-4-carboxylate
(1r,2s,3s)-2-[(2r)-butan-2-yl]-2,3-dihydroxy-3-methyl-5-methylidene-4-oxocyclopentane-1-carboxylic acid
(5s,6s,7ar)-7a-hydroxy-3,3,6-trimethyl-6,7-dihydro-5h-1,2-benzodioxol-5-yl acetate
(3s,8as)-8a-hydroperoxy-1-hydroxy-3-(2-methylpropyl)-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
(5s)-2-(2-ethoxy-2-methylpropylidene)-5-hydroxy-5,6-dihydropyran-4-carboxylic acid
(1s,2s)-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
3-n-butyl-3-hydroxy-4,5,6,7-tetrahydro-6,7-dihydrox phthalide
{"Ingredient_id": "HBIN008976","Ingredient_name": "3-n-butyl-3-hydroxy-4,5,6,7-tetrahydro-6,7-dihydrox phthalide","Alias": "NA","Ingredient_formula": "C12H18O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30693","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arenarine b
{"Ingredient_id": "HBIN016704","Ingredient_name": "arenarine b","Alias": "NA","Ingredient_formula": "C14H14N2O2","Ingredient_Smile": "COCC(C1=NC=CC2=C1NC3=CC=CC=C23)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1660","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
