Exact Mass: 258.1106436
Exact Mass Matches: 258.1106436
Found 500 metabolites which its exact mass value is equals to given mass value 258.1106436,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Yangonin
Yangonin is a member of 2-pyranones and an aromatic ether. Yangonin is a natural product found in Piper methysticum, Ranunculus silerifolius, and Piper majusculum with data available. See also: Piper methysticum root (part of). Yangonin is found in beverages. Yangonin is found in kava root (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava root (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Yangonin exhibits affinity for the human recombinant cannabinoid CB1 receptor with an IC50 and a Ki of 1.79 μM and 0.72 μM, respectively. Yangonin exhibits affinity for the human recombinant cannabinoid CB1 receptor with an IC50 and a Ki of 1.79 μM and 0.72 μM, respectively.
AICA-riboside
AICA-riboside, also known as acadesine or AICAR, is an AMP-activated protein kinase activator which is used for the treatment of acute lymphoblastic leukemia and may have applications in treating other disorders such as diabetes. AICA-riboside is an adenosine regulating agent developed by PeriCor Therapeutics and licensed to Schering-Plough in 2007 for phase III studies. The drug is a potential first-in-class agent for prevention of reperfusion injury in CABG surgery. Schering began patient enrollment in phase III studies in May, 2009. The trial was terminated in late 2010 based on an interim futility analysis (Wikipedia). AICA-riboside is a minor constituent found in human milk (PMID: 7702711). C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy D007004 - Hypoglycemic Agents
Glycerophosphorylcholine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G069; [MS2] KO009112 KEIO_ID G069
Wyerone
Constituent of broad bean seedlings (Vicia faba) infected with Botrytis subspecies Wyerone is found in lentils, pulses, and broad bean. Wyerone is found in broad bean. Wyerone is a constituent of broad bean seedlings (Vicia faba) infected with Botrytis species
Peucedanin
Peucedanin, also known as 2-isopropyl-3-methoxy-7h-furo[3,2-g]chromen-7-one or 4-methoxy-5-isopropylfuro(2,3:6,7)coumarin, 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. Peucedanin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Peucedanin can be found in carrot, chervil, and wild carrot, which makes peucedanin a potential biomarker for the consumption of these food products. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Davidigenin
A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, and 4 respectively.
Lunularic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3-O-Methylbatatasin III
3-O-methylbatatasin III is a stilbenoid. 3-O-Methylbatatasin III is a natural product found in Coelogyne ovalis, Pleione bulbocodioides, and other organisms with data available. 3'-O-Methylbatatasin III shows spasmolytic activity[1]. 3'-O-Methylbatatasin III shows spasmolytic activity[1].
Carbapenem biosynthesis intermediate 5
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid, an organic heterobicyclic compound and a primary amino compound. Carbapenem biosynthesis intermediate 5 is a natural product found in Streptomyces cattleya, Apis cerana, and Euglena gracilis with data available.
Xanthoxyletin
Xanthoxyletin is a member of coumarins. It has a role as a metabolite. Xanthoxyletin is a natural product found in Zanthoxylum dipetalum, Murraya siamensis, and other organisms with data available. Isolated from Zanthoxylum americanum (prickly ash). Xanthoxyletin is found in lemon, sweet orange, and herbs and spices. Xanthoxyletin is found in herbs and spices. Xanthoxyletin is isolated from Zanthoxylum americanum (prickly ash). A natural product found in Clausena harmandiana.
Demethylvestitol
Isolated from Lablab niger (hyacinth bean) and Phaseolus vulgaris (kidney bean). Demethylvestitol is found in many foods, some of which are green bean, scarlet bean, common bean, and pulses. Demethylvestitol is found in common bean. Demethylvestitol is isolated from Lablab niger (hyacinth bean) and Phaseolus vulgaris (kidney bean). D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Rhapontigenin
Rhapontigenin is found in garden rhubarb. Rhapontigenin is isolated from rhizomes of Rheum undulatum (rhubarb) 4-Guanidinobutanoate is a normal metabolite present in low concentrations. Patients with hyperargininemia have an arginase deficiency which leads to blockade of the urea cycle in the last step with several clinical symptoms. Owing to the arginase deficiency this patients accumulate arginine which leads eventually to epileptogenic guanidino compounds (PMID 7752905 Isolated from rhizomes of Rheum undulatum (rhubarb) Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1]. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1].
gamma-L-Glutamyl-L-pipecolic acid
gamma-L-Glutamyl-L-pipecolic acid is found in green vegetables. gamma-L-Glutamyl-L-pipecolic acid is isolated from the seeds of Gleditisia caspica (Caspian locust). Isolated from the seeds of Gleditisia caspica (Caspian locust). gamma-L-Glutamyl-L-pipecolic acid is found in green vegetables.
Strobilurin A
Strobilurin A is found in mushrooms. Strobilurin A is produced by Oudemansiella mucida, (porcelain fungus) and many other fung D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
(2S,3R,4R)-3,4,4'-Trihydroxyflavan
(2S,3R,4R)-3,4,4-Trihydroxyflavan is found in fruits. (2S,3R,4R)-3,4,4-Trihydroxyflavan is a constituent of the seeds of Musa sapientum (banana). Constituent of the seeds of Musa sapientum (banana). (2S,3R,4R)-3,4,4-Trihydroxyflavan is found in fruits.
(2S,2'S)-Pyrosaccharopine
(2S,2S)-Pyrosaccharopine is found in cereals and cereal products. (2S,2S)-Pyrosaccharopine is isolated from edible dried shiitake mushroom (Lentinus edodes) and buckwheat seeds (Fagopyrum esculentum). Isolated from edible dried shiitake mushroom (Lentinus edodes) and buckwheat seeds (Fagopyrum esculentum). (2S,2S)-Pyrosaccharopine is found in mushrooms and cereals and cereal products.
5-Methoxyseselin
Consit. of Citrus grandis (pummelo). 5-Methoxyseselin is found in citrus. 5-Methoxyseselin is found in citrus. Consit. of Citrus grandis (pummelo
O-Desmethylangolensin
O-Desmethylangolensin (ODMA) is a metabolite of the soy isoflavone daidzein by intestinal bacteria in approximately 80-90\\\% of persons. Studies suggest beneficial health effects associated with daidzein-metabolizing phenotypes, and there is some small association between ODMA production and some phenotypes. Few dietary factors are associated with daidzein-metabolizing phenotypes. However, it remains unclear why some, but not all, persons harbor ODMA-producing bacteria. ODMA production is inversely associated with age, height, weight, and body mass index. In addition, Asians are less likely than whites to be ODMA producers, and former smokers were more likely than never smokers to be ODMA producers. Investigators have attempted to identify the bacteria involved in ODMA production, and several candidate bacteria were associated, but not definitely identified. ODMA production is correlated with the abundance of methanogens, indicating that the metabolic fate of daidzein may be related to intestinal H(2) metabolism. (PMID: 18326607, 17506823) [HMDB] O-Desmethylangolensin (ODMA) is a metabolite of the soy isoflavone daidzein by intestinal bacteria in approximately 80-90\\\% of persons. Studies suggest beneficial health effects associated with daidzein-metabolizing phenotypes, and there is some small association between ODMA production and some phenotypes. Few dietary factors are associated with daidzein-metabolizing phenotypes. However, it remains unclear why some, but not all, persons harbor ODMA-producing bacteria. ODMA production is inversely associated with age, height, weight, and body mass index. In addition, Asians are less likely than whites to be ODMA producers, and former smokers were more likely than never smokers to be ODMA producers. Investigators have attempted to identify the bacteria involved in ODMA production, and several candidate bacteria were associated, but not definitely identified. ODMA production is correlated with the abundance of methanogens, indicating that the metabolic fate of daidzein may be related to intestinal H(2) metabolism. (PMID: 18326607, 17506823). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
Archangin
Archangin is found in fats and oils. Archangin is from Angelica archangelica (angelica
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Acetomenaphthone
Acetomenaphthone is a synthetic vitamin. Synthetic vitamin
3',4',7-Trihydroxyisoflavan
3,4,7-Trihydroxyisoflavan is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
3'-Hydroxyequol
3-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
cis-4-Hydroxyequol
cis-4-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-
6-Nitroquipazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
5-Amino-1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
Biotin hydrazide
C10H18N4O2S (258.11504080000003)
L-enantiomer
3-(4-Hydroxyphenyl)-3,5,6,8-tetrahydro-2H-chromene-4,7-dione
Ribosyl-5-amino-4-imidazolcarboxamid
Braylin
Braylin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Braylin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Braylin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes braylin a potential biomarker for the consumption of these food products.
Isorhapontigenin
Isorhapontigenin 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. Isorhapontigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isorhapontigenin can be found in garden rhubarb, which makes isorhapontigenin a potential biomarker for the consumption of this food product. Isorhapontigenin is a tetrahydroxylated stilbenoid with a methoxy group. It is an isomer of rhapontigenin and an analog of resveratrol. It is found in the Chinese herb Gnetum cleistostachyum, in Gnetum parvifolium and in the seeds of the palm Aiphanes aculeata . Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Prangone
Murrayone is a natural product found in Murraya exotica and Murraya paniculata with data available. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1]. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1].
Isorhapontigenin
Isorhapontigenin is a stilbenoid. Isorhapontigenin is a natural product found in Smilax corbularia, Aiphanes horrida, and other organisms with data available. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Rhapontigenin
Rhapontigenin is a stilbenoid. Rhapontigenin is a natural product found in Rheum undulatum, Gnetum hainanense, and other organisms with data available. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1]. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1].
1,4-Dihydro-4-oxo-3-(2-pyrrolidinyl)-2-quinolinecarboxylic acid
C14H14N2O3 (258.10043740000003)
4-Hydroxy-3-(4-hydroxybenzyl)-5-methoxybenzaldehyde
1-Acetyl-3-carboxy-tetrahydro-beta-carboline
C14H14N2O3 (258.10043740000003)
Demethylvestitol
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
3,8-Dimethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene
3-Hydroxy-beta-lapachone
[Raw Data] CB127_3-Hydroxylapachone_pos_50eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_40eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_30eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_20eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_10eV_CB000045.txt
Ononetin
1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone is a stilbenoid. Ononetin, a natural deoxybenzoin, is a potent and selective TRPM3 channel blocker with an IC50 of 0.3 μM[1].
2-hydroxy-3-( 4-hydroxy-3-methyl-2-butenyl)-1,4-naphthoquinone
acetic acid 4-acetoxy-6-hydroxy-1-(2-hydroxyethyl)hexa-1,3-dienyl ester|citrantifidiene
2-methoxy-3,4,3-trihydroxystilbene|3,3,4-trihydroxy-2-methoxy-trans-stilbene
(+)-3-acetoxy-tetradeca-4t,6t,12t-triene-8,10-diyn-1-ol|3-Acetoxy-tetradecatrien-(4,6,12)-diin-(8,10)-ol-(1) (3R?)-3-Acetoxy-tetradeca-4t,6t,12t-trien-8,10-diin-1-ol
6-(3,4-Dimethoxy-trans-styryl)-2-pyron|6-(3,4-Dimethoxystyryl-)2-pyron
(2E,5E)-2-methyl-6-(7-oxo-3-methylocta-2,5-dienyl)-1,4-benzoquinone
3(2-pyrrolidinyl)-KYNA|3-(2-pyrrolidinyl)-kynurenic acid
C14H14N2O3 (258.10043740000003)
3-(3,3-dimethyl-2-propenyl)-4-methoxy-5-phenyl-2(5H)-furanone
Ac-(Z)-7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol
4,8,9-Trihydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
1-acetoxy-3-(trans-3-nona-1t,7t-diene-3,5-diynyl-oxiranyl)-propane|1-Acetoxy-4,5-epoxy-tetradeca-8,10-diin-6,12-dien
(4S,6S)-4-hydroxy-3-methoxy-6-(1-phenyl-2-propenyl)-2-cyclohexene-1-one
gamma-L-glutamyl-L(+)-2-amino-3-methylenepentenoic acid
Di-Ac-2-(3-Methyl-3-buten-1-ynyl)-1,4-benzenediol,9CI
Tensyuic acid B
A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.
4-Oxo-5,6,9,10-tetradehydro-4,5-secofuranoeremophilan-5,1-carbolacton
Naphtho(1,2-b)furan-4,5-dione, 2,3-dihydro-6-hydroxy-2,3,3-trimethyl-
2-(2-Methoxyisopropyl)psoralen|2-(1-methoxy-1-methyl-ethyl)-furo[3,2-g]chromen-7-one|dehydromarmesin methyl ether
(3aS*,5S*,7aR*)-5-benzoyloxy-3a,4,5,7a-tetrahydro-3H-benzofuran-2-one|miliusolide
2-Methoxy-6-(4-methoxy-trans-styryl)-pyran-4-on|2-methoxy-6-(4-methoxy-trans-styryl)-pyran-4-one|2-methoxy-6-<2-(4-methoxyphenyl)ethenyl>pyran-4-one
Braylin
Braylin is a natural product found in Geleznowia verrucosa, Pitavia punctata, and other organisms with data available.
2,5,7-trihydroxy-4-methoxy-9,10-dihydrophenanthrene|7-methoxy-9,10-dihydrophenanthrene-2,4,5-triol
1-[(2-Methylene-3-oxo-4,5-dimethyl-4-cyclopentene)-1-ylmethyl]-3,4-dimethyl-3-cyclopentene-2,5-dione
(5-Amino-imidazol-4-carbonsaeureamid)-ribofuranosid|5-amino-1(3)H-imidazole-4-carboxylic acid beta-D-ribofuranosylamide
4-hydroxy-3-methoxy-4-(3-phenyl-2-propenyl)-2-cyclohexene-1-one
2-Acetyl-5-(3-methyl-2-butenyl)-6-methoxybenzofuran
(+)-9-demethyleleutherin|(1R,3S)-9-hydroxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione|3,4-dihydro-9-hydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione|8-desmethyleleutherin
5-methoxy-4,7,9S-trihydroxy-9,10-dihydrophenanthrene
(+-)-1-Acetoxy-tetradeca-4,6,12-trien-8,10-diin-3-ol
1-(4-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethane-1,2-diol
C14H14N2O3 (258.10043740000003)
(2S)-2,3-dihydro-6-hydroxy-2,3,3-trimethylnaphto[2,3-b]furan-4,9-dione|(2S)-6-hydroxy-alpha-dunnione
2,5-Dimethyl-8,10-dihydroxy-2,3-dihydro-4H-naphtho[1,2-b]pyran-4-one
Ac-(E,E)-form-9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol
2-Thioxo-5-ethyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
3-Methoxy-7-hydroxy-cadalenal|3-Methoxy-7-hydroxycadalenal|3-Methoxy-7-hydroxycadenal
erythro-1-(2-methoxyphenyl)-3-phenylpropane-1,2-diol|threo-1-(2-methoxyphenyl)-3-phenylpropane-1,2-diol
O8-Me-8-Hydroxy-1(6),2,4,7(11)-cadinatetraen-12,8-olide
6-methoxy-8-(prop-1-en-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one|hedyotiscone A
44SF3SS9W7
2-[3-(4-Hydroxyphenyl)propyl]-5-methoxyphenol is a natural product found in Broussonetia papyrifera and Anemarrhena asphodeloides with data available.
Plicatol_C
Rotundatin is a natural product found in Dendrobium plicatile with data available.
sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one
5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
C15H14O4_1-(2,5-Dihydroxy-2-methyl-2,3-dihydrobenzo[de]chromen-4-yl)ethanone
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one
Peucedanin
A member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Origin: Plant, Coumarins
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based: Match]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000846301]
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846302]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000848039]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based: Match]
2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based: Match]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSIDE
2,2-Dimethyl-5-oxo-2,3,4,5-tetrahydroindeno[1,2-b]pyran-6-carboxylic acid
Acadesine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C - Cardiovascular system > C01 - Cardiac therapy
O-Demethylangolesin
O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
Mucidin
An enoate ester that is the methyl ester of (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoic acid. D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Diacetyl trimer
Shi epoxidation catalyst, L-enantiomer
Ethyl 4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
C14H14N2O3 (258.10043740000003)
6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLIC ACID
N-3-Anilinoprop-2-enylidene]-N-phenylamine hydrochloride
Magnesium acetylacetonate dihydrate
C10H18MgO6 (258.09538280000004)
1-[4-(4-MORPHOLINYL)PHENYL]-1H-PYRROLE-2,5-DIONE
C14H14N2O3 (258.10043740000003)
12-OXO-6,7,8,9,10,12-HEXAHYDRO-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXYLIC ACID
C14H14N2O3 (258.10043740000003)
Benzoic acid,2-hydroxy-4-(phenylmethoxy)-, methyl ester
1-N-CBZ-2-Methylpropane-1,2-diamine-HCl
C12H19ClN2O2 (258.11349839999997)
2-N-Cbz-2-Methylpropane-1,2-diamine hydrochloride
C12H19ClN2O2 (258.11349839999997)
benzyl N-(6-methyl-2-oxo-1H-pyridin-3-yl)carbamate
C14H14N2O3 (258.10043740000003)
4,4,5,5-Tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-(2,4,5-trifluorophenyl)-1,3,2-dioxaborolane
Benzyl n-(4-aminobutyl)carbamate hydrochloride
C12H19ClN2O2 (258.11349839999997)
3-Pyridazinecarboxamide, 6-[[(4-methoxyphenyl)methyl]amino]-
2-Benzyl-5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
Benzyl (4-methoxypyridin-2-yl)carbamate
C14H14N2O3 (258.10043740000003)
5-[(4-Fluorobenzyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-(methoxymethyl)-4-[4-(methoxymethyl)phenoxy]benzene
Aspartic acid beta-naphthylamide
C14H14N2O3 (258.10043740000003)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
7-ISOPROPOXY-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
C14H14N2O3 (258.10043740000003)
(R,R)-7-AMINO-3-(1-METHYLPYRROLIDINIO)METHYL-3-CEPHEM-4-CARBOXYLATEHCL
C14H14N2O3 (258.10043740000003)
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-CARBAMICACIDBENZYLESTER
formaldehyde,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
4-CARBOXYMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-oxo-2,3,4,9-tetrahydro-1h-b-carboline-6-carboxylic acid ethyl ester
C14H14N2O3 (258.10043740000003)
a-D-erythro-Hex-2-enopyranoside,ethyl 2,3-dideoxy-, 4,6-diacetate
ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
6,7-Diethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
3-(4-METHYL-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDIN-5-YL)PROPANOIC ACID
C14H14N2O3 (258.10043740000003)
4-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
7-Isopropoxy-6-methoxy-4-oxo-3,4-dihydro-3-quinolinecarbonitrile
C14H14N2O3 (258.10043740000003)
ethyl 4-(6-methylpyridazin-3-yl)oxybenzoate
C14H14N2O3 (258.10043740000003)
4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane
TERT-BUTYL (4-(2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)CARBAMATE
(1S,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
C12H19ClN2O2 (258.11349839999997)
O,O-Di(ethyl-d10) O-(2-pyrazinyl) phosphorothioate
1-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)BUTANE-1,3-DIONE
C14H14N2O3 (258.10043740000003)
(S)-2-(3-((TERT-BUTOXYCARBONYL)AMINO)-2-OXOPYRROLIDIN-1-YL)ACETIC ACID
Pelubiprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
N-[(4-Aminophenyl)methyl]carbamic acid 1,1-dimethylethyl ester hydrochloride
C12H19ClN2O2 (258.11349839999997)
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexulofuranose
2-(1-(TERT-BUTOXYCARBONYL)-3-OXOPIPERAZIN-2-YL)ACETIC ACID
(1R,4R)-N-(3-Fluoro-benzyl)-cyclohexane-1,4-diaMine hydrochloride
methyl2-((1R,3R)-3-amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate
[1-(6-Methoxy-pyriMidin-4-yl)-piperidin-4-yl]-Methyl-aMine hydrochloride
(1R,4R)-N-(2-Fluoro-benzyl)-cyclohexane-1,4-diaMine hydrochloride
(1r,4r)-N1-(4-fluorobenzyl)cyclohexane-1,4-diamine hydrochloride
TERT-BUTYL 3-AMINO-5-CYANO-1H-INDAZOLE-1-CARBOXYLATE
1-(3,4-Dimethoxyphenyl)piperazine hydrochloride
C12H19ClN2O2 (258.11349839999997)
1-Cbz-Amino-3-methylaminopropane hydrochloride
C12H19ClN2O2 (258.11349839999997)
1-N-Cbz-1-N-Methyl-1,3-diaminopropane hydrochloride
C12H19ClN2O2 (258.11349839999997)
6-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-YL)-hexanoic acid
1-Methoxy-4-[(4-methoxyphenyl)methoxymethyl]benzene
Cyclopenta(c)pyrido(3,2-a)carbazole, 1,2,3,8-tetrahydro-
methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
C16H15FO2 (258.10560219999996)
56684-87-8
3'-O-Methylbatatasin III shows spasmolytic activity[1]. 3'-O-Methylbatatasin III shows spasmolytic activity[1].
1,2,3,4,7,8,9,10-Octahydro[1]benzothieno[2,3-b]quinolin-11-amine
4-amino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
2-[4-[(Z)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
3-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide
N-{(E)-amino[(5-methyl-1,3-benzoxazol-2-yl)amino]methylidene}cyclopropanecarboxamide
4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
C14H14N2O3 (258.10043740000003)
Mimosifolenone
A cyclic ketone that is cyclohept-2-en-1-one substituted by a hydroxy group at position 5, a methoxy group at position 6 and a 2-phenylethenyl group at position 5 (the 5R,6R stereoisomers). Isolated from the rootwood of Aeschynomene mimosifolia, it exhibits cytotoxic towards human cancer cell lines.
Indolmycin(1+)
An organic cation obtained by protonation at position 3 in the oxazole ring of indolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-[(2-methylpropyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
N-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
C14H14N2O3 (258.10043740000003)
2-[1,3-Dihydroxypropan-2-yloxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
3-Hydroxy-1-oxo-1-[2-(2,3,4-trihydroxybenzyl)hydrazinyl]propan-2-aminium
C10H16N3O5+ (258.10899059999997)
2-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Methyl 2-(N-((4S)-4-(2-methylpropyl)-2-oxazolidinone-3-carbamoyl))aminoacetate
Methyl 2-(N-((4S)-4-(1,1-dimethylethyl)-2-oxazolidinone-3-carbamoyl))aminoacetate
2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium
1,1-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
6-Nitroquipazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.
5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
5-{2-[3-(1-hydroxyethyl)oxiran-2-yl]-2-methoxyethyl}-5-methoxyfuran-2-one
2-[(2s)-4-(4-methylpent-3-en-1-yl)-2,5-dihydrofuran-2-yl]cyclohexa-2,5-diene-1,4-dione
2-methyl-4-(1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)butanoic acid
(1r,2s,4s,5r,8s,9r)-5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.0⁴,⁹]dodecan-10-one
methyl (3e,5e)-2-(methoxymethylidene)-3-methyl-6-phenylhexa-3,5-dienoate
methyl (1s,5s)-5-[(2s)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(2r)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
7-methoxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-3-ol
2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid
1-[3-(hydroxymethyl)-9h-pyrido[3,4-b]indol-1-yl]ethane-1,2-diol
C14H14N2O3 (258.10043740000003)