Exact Mass: 304.1286616
Exact Mass Matches: 304.1286616
Found 500 metabolites which its exact mass value is equals to given mass value 304.1286616,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vicine
Vicine is a glycoside. Vicine is a natural product found in Momordica charantia, Vicia faba, and Vicia narbonensis with data available. Isolated from Vicia faba and other legumes. Vicine is found in bitter gourd, pulses, and broad bean. Vicine is found in bitter gourd. Vicine is isolated from Vicia faba and other legumes. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1]. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1].
Angustibalin
Angustibalin is a sesquiterpene lactone. Angustibalin is a natural product found in Arnica longifolia and Arnica montana with data available.
6-Methoxy-alpha-pyrufuran
6-Methoxy-alpha-pyrufuran is found in fruits. 6-Methoxy-alpha-pyrufuran is a constituent of the sapwood of Mespilus germanica (European medlar). Constituent of the sapwood of Mespilus germanica (European medlar). 6-Methoxy-alpha-pyrufuran is found in medlar and fruits.
2'-Deoxymugineic acid
Isolated from wheat (Triticum aestivum). 2-Deoxymugineic acid is found in many foods, some of which are pot marjoram, kumquat, ginger, and pineappple sage. 2-Deoxymugineic acid is found in cereals and cereal products. 2-Deoxymugineic acid is isolated from wheat (Triticum aestivum).
Diazinon
Nonsystemic insecticide for rice and fruit trees. Cholinesterase inhibitor. Diazinon is used against animal ectoparasite Nonsystemic insecticide for rice and fruit trees. Cholinesterase inhibitor. It is used against animal ectoparasites. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals Same as: D07856 CONFIDENCE standard compound; EAWAG_UCHEM_ID 293 CONFIDENCE standard compound; INTERNAL_ID 4006 CONFIDENCE standard compound; INTERNAL_ID 8779 CONFIDENCE standard compound; INTERNAL_ID 3124
(R)-Heraclenol
9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone is a member of psoralens. 9-(2,3-Dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one is a natural product found in Angelica dahurica with data available. (R)-Heraclenol is found in herbs and spices. (R)-Heraclenol is obtained from roots of Angelica specie obtained from roots of Angelica subspecies (R)-Heraclenol is found in herbs and spices.
Matricarin
Constituent of Matricaria chamomilla (German chamomile). Matricarin is found in many foods, some of which are herbs and spices, tea, fats and oils, and german camomile. Matricarin is found in fats and oils. Matricarin is a constituent of Matricaria chamomilla (German chamomile)
Indole-3-acetylglutamic acid
Indole-3-acetylglutamic acid belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from the reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Indole-3-acetylglutamic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Indole-3-acetylglutamic acid is a constituent of various plant species including soybean (Glycine max) and pulses.
3'-O-methyl-(-)-epicatechin
3-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin.
2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl acetate
4'-O-methyl-(-)-epicatechin
4-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin.
2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine
2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is found in nuts. 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is formed by reaction of ammonia on glucose. 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is present in ammonia caramels, soy sauce, roasted peanuts and flue-cured tobacco leave 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is formed by reaction of ammonia on glucose. It is found in ammonia caramels, soy sauce, roasted peanuts and flue-cured tobacco leaves.
p-HPEA-EDA
p-HPEA-EDA is the major form of the decarboxymethyl ligstroside-aglycone. p-HPEA-EDA is found in olive. p-HPEA-EDA is found in olive. p-HPEA-EDA is the major form of the decarboxymethyl ligstroside-aglycone
Fonsecin B
Fonsecin B is a mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
4-Methyl-epicatechin
4-methyl-epicatechin is a cocoa and Tea metabolite found in plasma.
3-Methyl-epicatechin
3-methyl-epicatechin is one of the cocoa and tea metabolites.
4'-O-Methylcatechin
4-O-Methylcatechin is found in chinese cinnamon. 4-O-Methylcatechin is a constituent of Chinese cinnamon (Cinnamomum cassia) Constituent of Chinese cinnamon (Cinnamomum cassia). 4-Methylcatechin is found in chinese cinnamon and herbs and spices.
3'-Deoxyoleacein
Constituent of Olea europaea (olive). 3-Deoxyoleacein is found in fats and oils, herbs and spices, and fruits. 3-Deoxyoleacein is found in fats and oils. 3-Deoxyoleacein is a constituent of Olea europaea (olive).
Arachidoside
Arachidoside is found in nuts. Arachidoside is isolated from shells of peanuts (Arachis hypogaea). Isolated from shells of peanuts (Arachis hypogaea). Arachidoside is found in nuts.
Deoxyfructosazine
Deoxyfructosazine is formed by reaction of ammonia and glucose. Deoxyfructosazine is present in ammonia caramels, soy sauce and roasted peanuts. Formed by reaction of ammonia and glucose. Present in ammonia caramels, soy sauce and roasted peanuts
3'-O-Methylcatechin
3-O-Methylcatechin is a constituent of Pinus sylvestris (Scotch pine). 3-O-Methylcatechin is a flavonoid metabolite. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Constituent of Pinus sylvestris (Scotch pine) D004791 - Enzyme Inhibitors
7-Hydroxy-5-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
C16H20N2O4 (304.14230000000003)
2-Methoxy-5,7,3',4'-tetrahydroxyflavan
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors
2-[(2-Amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propyl]amino]acetic acid
Desmethyl Fluvoxamine
C14H19F3N2O2 (304.13985499999995)
Flupirtine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
Protosappanin B
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
2-(3,4-Dihydroxyphenyl)-2-methyl-3,4-dihydrochromene-3,5,7-triol
Histamine-betaxanthin
aviprin
Oxypeucedanin hydrate is a furanocoumarin. It has a role as a metabolite. Oxypeucedanin hydrate is a natural product found in Ferulago sylvatica, Ferula syreitschikowii, and other organisms with data available. A natural product found in Peucedanum ostruthium. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1]. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1].
ProtosappaninB
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
Oxypeucedan
(-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1].
Protosappanin
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
[1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-5-(Acetyloxy)-1a,2,3,4,4a,5-hexahydro-4,4a,6-trimethyl-9H-oxireno[8,8a]naphtho[2,3-b]furan-9-one
1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
5-[2-(3-Hydroxy-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
Tomaymycin
C16H20N2O4 (304.14230000000003)
A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine which is substituted at positions 2,5,7,8 and 11R by ethylidene, oxo, methoxy, hydroxy and methoxy groups, respectively. It is a natural product of Streptomyces achromogenes that binds covalently with guanine in the minor groove of DNA. It is an antitumoral compound which is active in ovarian, plasmacytoma, and leukemia cancer cell lines at nanomolar concentrations. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
8alpha-Acetoxy-1beta,10beta-epoxy-3,11(13)-guaiadien-12,6alpha-olide
3,6-dibenzylidene-5-methoxypyrazin-2-one
C19H16N2O2 (304.12117159999997)
moscatilin
Dendrophenol is a natural product found in Cymbidium aloifolium, Dendrobium fimbriatum, and other organisms with data available.
Dysiherbaine
A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy, (2S)-2-amino-2-carboxyethyl, hydroxy and methylamino groups at positions 2, 2, 6, and 7, respectively (the 2R,3aR,6S,7R,7aR-stereoisomer). A convulsant isolated from the marine sponge Dysidea herbacea that has high affinity for kainate ionotropic glutamate receptors.
[3aS-(3aalpha,7alpha,7abeta,8abeta,8balpha,8cbeta)]-7-(Acetyloxy)-3a,4,5,7,7a,8a,8b,8c-octahydro-6,8a-dimethyl-3-methylene-oxireno[2,3]azuleno[4,5-b]furan-2(3H)-one
Piperafizine A
C19H16N2O2 (304.12117159999997)
2beta-Acetoxy-3alpha,4alpha-epoxy-3,4-dihydrokauniolide
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
Flupirtine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
2-{2-[4-(3-Cyano-2-pyridinyl)piperazino]-2-oxoethoxy}acetic acid
1H-indole-4-methanol, 2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-
6alpha-acetoxy-1alpha-hydroxyguaia-4(15),10(14),11(13)-trien-8alpha,12-olide
1-Oxo-4??-acetoxyeudesma-2,1(13)-dien-12,8??-olide
Securidaca longipedunculata Aldaloid A
C19H16N2O2 (304.12117159999997)
1alpha-acetoxy-2-oxo-eudesman-3,7(11)-dien-8beta,12-olide
4,4-(3-Hydroxypropane-1,2-diyl)bis(2-methoxyphenol)
3-[5-(3-Aethyl-4-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylen)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionsaeure|3-[5-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylene)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionic acid
C16H20N2O4 (304.14230000000003)
3-[5-(4-Aethyl-3-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylen)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionsaeure|3-[5-(4-ethyl-3-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylene)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionic acid
C16H20N2O4 (304.14230000000003)
(S)-3,4,4-trihydroxy-5-methoxy-alpha-ethoxybibenzyl|dendrocandin D
4,6-dihydroxy-7-isobutyryl-5-prenyl-2(3H)-benzofuranone
1beta,13,14-trihydroxy-8,11,13-podocarpatriene-2,7-diene
1alpha-acetoxy-2alpha,3alpha-epoxyisoalantolactone|Ac 鈥樎?1alpha,2alpha,3alpha,8beta)-2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,8-olide
L-(-)-(N-trans-cinnamoyl)-arginine
C15H20N4O3 (304.15353300000004)
8beta-ethoxyeremophil-3,7(11)-diene-8alpha,12(6alpha,15)-diolide
beta-D-cymaropyranosyl (1->4)-D-oleandronic acid delta-lactone|perisesaccharide A
(Z)-N-(1-carbamimidoylpyrrolidin-2-yl)isoferulamide|isocernumidine
C15H20N4O3 (304.15353300000004)
(2S,3R)-3-(p-hydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)-3-methoxypropanol|carayensin-B
7-hydroxy-3-[2,3-acetonide-(3-methylbutane)]coumarin|corialin A
(+)-(1R,2S,5R,6R,7R,8S)-8-acetoxy-2-hydroxyguai-3,10(14),11(13)-trien-6,12-olide|argyinolide A
6alpha-acetoxy-10beta-hydroxyguaia-1, 4(15), 11(13)-trien-8alpha,12-olide
5beta-Acetoxy-1-oxogermacra-4(15),10(14),11-trien-12,8alpha-olid
4-Hydroxymethyl-3-(2,4-dimethyl- 7 -indolyl)-2-methylindole
3,2,3-trihydroxy-4,4-dimethoxy-1,3-diphenylpropane
(1Z,3E,9Z)-15-acetoxy-1-chlorohexadeca-5,7-diyne-1,3,9-triene
4-[2-(3-Hydroxy-5-methoxyphenyl)ethyl]-2,6-dimethoxyphenol
??-L-Glutamyl-S-(prop-1-enyl)cystein sulfoxide
C12H20N2O5S (304.10928700000005)
methyl phenacyl 1,1-dimethylprop-2-enylmalonate|Methyl-phenacyl ester-(1,1-Dimethyl-2-propenyl)propanedioic
(2E,2E)-4-Ac,Me ester-3-[4-Hydroxy-3-(4-hydroxy-3-methyl-2-buteny)phenyl]-2-propenoic acid|methyl 3-(4-hydroxyprenyl)-coumarate 4-O-acetate
1beta-Acetoxy-5-oxogermacra-4(15),10(14),11-trien-12,8alpha-olid
4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol|longicornuol B
Bigelovin
Bigelovin is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. It has a role as an apoptosis inducer, an immunomodulator, an antineoplastic agent and a plant metabolite. It is an acetate ester, an organic heterotricyclic compound, a sesquiterpene lactone, a cyclic ketone and a gamma-lactone. Bigelovin is a natural product found in Dittrichia graveolens, Inula hupehensis, and other organisms with data available. A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. Bigelovin, a sesquiterpene lactone isolated from Inula hupehensis, is a selective retinoid X receptor α agonist. Bigelovin suppresses tumor growth through inducing apoptosis and autophagy via the inhibition of mTOR pathway regulated by ROS generation[1].
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid
C13H20O6S (304.09805400000005)
8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one
C13H20O6S_2-Hydroxy-3-[(10-methyl-2,7-dioxo-5-oxecanyl)sulfanyl]propanoic acid
C13H20O6S (304.09805400000005)
(1S,8S,9S,10S,13R)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-8-yl acetate
8-hydroxy-2-oxo-1(10),3-guaiadiene-12,6-olide, Ac
SubCategory_DNP: : Sesquiterpenoids
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based on: CCMSLIB00000847188]
C13H20O6S (304.09805400000005)
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based: Match]
C13H20O6S (304.09805400000005)
8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000847549]
8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one [IIN-based: Match]
(1S,8S,9S,10S,13R)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-8-yl acetate_major
(1S,8S,9S,10S,13R)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,?]tetradeca-3(7),5-dien-8-yl acetate
Ala Ala Gly Ser
Ala Ala Ser Gly
Ala Gly Ala Ser
Ala Gly Gly Thr
Ala Gly Ser Ala
Ala Ser Ala Gly
Ala Ser Gly Ala
Asp Gly Gly Gly
Gly Ala Ala Ser
Gly Ala Gly Thr
Gly Ala Ser Ala
Gly Asp Gly Gly
Gly Gly Ala Thr
Gly Gly Thr Ala
Gly Ser Ala Ala
Gly Thr Gly Ala
Ser Ala Ala Gly
Ser Ala Gly Ala
Ser Gly Ala Ala
Thr Gly Gly Ala
Lificiguat
C19H16N2O2 (304.12117159999997)
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020536 - Enzyme Activators
2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine
1-[6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone
2-(2-N-BOC-N-METHYL-AMINOETHYL)-1H-ISOINDOLE-1,3(2H)-DIONE
C16H20N2O4 (304.14230000000003)
(2-fluorophenyl)-[4-(2-phenylethyl)phenyl]methanone
3-((2-ETHOXY-3,4-DIOXOCYCLOBUT-1-EN-1-YL)AMINO)-2-HYDROXY-N,N-DIMETHYLBENZAMIDE
5-(3-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)ISOXAZOLE-3-CARBOXYLIC ACID
7α-hydroxy-6β-(3-hydroxy-4-phenoxy-1E-butenyl)-2-oxabicyclo[3.3.0]octan-3-one
3-Amino-2-(biphenyl-2-ylamino)benzoic acid
C19H16N2O2 (304.12117159999997)
2-Naphthalenecarboxylicacid, 2-(4-methylbenzoyl)hydrazide
C19H16N2O2 (304.12117159999997)
dimethylglyoxime disodium salt octahydrate
C4H22N2Na2O10 (304.10697919999996)
4-(4-HYDROXYMETHYL-OXAZOL-2-YL)-BENZYL]-CARBAMICACIDTERT-BUTYLESTER
C16H20N2O4 (304.14230000000003)
2-Methyl-2-propanyl 4-hydroxy-5,7-dimethoxy-2-naphthoate
2-Naphthalenecarboxylicacid, 2-(2-methylbenzoyl)hydrazide
C19H16N2O2 (304.12117159999997)
3-(2-NAPHTHALEN-1-YL-[1,3]DITHIAN-2-YL)-PROPAN-1-OL
2-ethanediyl), .alpha.-[4-(phenylmethyl)[1,1-biphenyl]-4-yl]-.omega.-hydroxy-Poly(oxy-1
(1S 4S)-(-)-2-(4-METHYLPHENYL)-2 5-DIAZ&
C16H20N2O4 (304.14230000000003)
(S)-TERT-BUTYL2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE
Pyridine,2,2-[1,2-ethanediylbis(thio-2,1-ethanediyl)]bis-
1-(1(2H)-acenaphthylenylidene)-1,2-dihydroacenaphthylene
2-((PROPIONYLOXY)METHOXY)BUTANE-1,4-DIYL DIPROPIONATE
9-Cbz-2-oxo-3-oxa-1,9-diaza-spiro[5.5]undecane
C16H20N2O4 (304.14230000000003)
GRL 0617
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
tert-butyl N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
C14H19F3N2O2 (304.13985499999995)
Remacemide hydrochloride
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System D020011 - Protective Agents
(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL 4-BROMOBUTANOATE
C14H25BrO2 (304.10378099999997)
Boc-(S)-3-Amino-4-(3-cyanophenyl)-butyric acid
C16H20N2O4 (304.14230000000003)
N,N-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide)
C16H20N2O4 (304.14230000000003)
1-(2,2-dimethoxyethyl)-6-oxo-2-phenylpyrimidine-5-carboxylic acid
dihydro-3-[3-(triethoxysilyl)propyl]furan-2,5-dione
3-Amino-N-(4-phenoxyphenyl)benzamide
C19H16N2O2 (304.12117159999997)
((4-((4-METHOXYPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIMETHYLSILANE
tert-butyl 4-cyano-4-(4-fluorophenyl)piperidine-1-carboxylate
C17H21FN2O2 (304.15869779999997)
LOXOPROFEN SODIUM SALT
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
3-(1-phenyl-3-p-tolyl-1h-pyrazol-4-yl)-acrylic acid
C19H16N2O2 (304.12117159999997)
Boc-(R)-3-Amino-4-(3-cyanophenyl)-butyric acid
C16H20N2O4 (304.14230000000003)
Boc-(S)-3-Amino-4-(2-cyanophenyl)-butyric acid
C16H20N2O4 (304.14230000000003)
Boc-(S)-3-Amino-4-(4-cyano-phenyl)-butyric acid
C16H20N2O4 (304.14230000000003)
5-phenylmethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
5-(5-(ETHOXYCARBONYL)-3-METHYL-1H-PYRAZOL-1-YL)-2-METHOXYBENZOIC ACID
[5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
ETHYL 4-HYDROXY-1-ISOPENTYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
C16H20N2O4 (304.14230000000003)
ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-1H-INDOLE-3-CARBOXYLATE
C16H20N2O4 (304.14230000000003)
tert-butyl N-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
C14H19F3N2O2 (304.13985499999995)
mannomustine
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
1-(4-AMINO-PHENYL)-PIPERIDINE-3-CARBOXYLICACIDETHYLESTER
3,3-[5-(HYDROXYMETHYL)-1,3-PHENYLENE]BIS(2-PROPENOIC ACID) DIETHYL ESTER
2-Naphthalenecarboxylicacid, 2-(3-methylbenzoyl)hydrazide
C19H16N2O2 (304.12117159999997)
TERT-BUTYL 1-OXO-1H-SPIRO[FURO[3,4-C]PYRIDINE-3,4-PIPERIDINE]-1-CARBOXYLATE
C16H20N2O4 (304.14230000000003)
methyl (E)-3-(furan-2-yl)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]prop-2-enoate
4-[2-chloroethyl(ethyl)amino]benzaldehyde,4-methylpyridine
benzyl 2-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate
Isopropenyloxytris(triMethylsilyl)silane
C12H32OSi4 (304.15301420000003)
(1R,2S)-2-DI-N-BUTYLAMINO-1-PHENYL-1-PROPANOL
C16H20N2O4 (304.14230000000003)
2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropionic acid
2-Allyl-1-(tert-butoxycarbonyl)-2,3-dihydro-1H-benzo[d]imidazole-2-carboxylic acid
C16H20N2O4 (304.14230000000003)
Boc-(R)-3-Amino-4-(2-cyano-phenyl)-butyric acid
C16H20N2O4 (304.14230000000003)
Ethyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
C16H20N2O4 (304.14230000000003)
1-{1-[(Benzyloxy)carbonyl]-3-pyrrolidinyl}-3-azetidinecarboxylic acid
C16H20N2O4 (304.14230000000003)
4-hydroxy-3-(α-iminobenzyl)-1-methyl-6-phenylpyridin-2(1h)-one
C19H16N2O2 (304.12117159999997)
N-Cyclopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
4-Methyl-N-(4-nitrophenyl)-N-phenylaniline
C19H16N2O2 (304.12117159999997)
ETHYL 3-(TERT-BUTYL)-1-(4-FLUOROBENZYL)-1H-PYRAZOLE-5-CARBOXYLATE
C17H21FN2O2 (304.15869779999997)
3-(2-BENZYLCARBAMOYL-ETHYL)-6-OXO-PIPERIDINE-3-CARBOXYLIC ACID
C16H20N2O4 (304.14230000000003)
4-(Bis(4-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-one
Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid
C16H20N2O4 (304.14230000000003)
[4-(4-fluoro-phenyl)-piperazin-1-yl]-furan-2-yl-acetic acid
C16H17FN2O3 (304.12231440000005)
N-(2,6-DIETHYLPHENYLCARBAMOYLMETHYL)IMINODIACETIC ANHYDRIDE
C16H20N2O4 (304.14230000000003)
Polyethylene-polypropylene glycol
Isolated from Foeniculum vulgare (fennel). (±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4-glucoside is found in herbs and spices. It is used as a food additive .
4-Phenoxy-N-(pyridin-2-ylmethyl)benzamide
C19H16N2O2 (304.12117159999997)
(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
C19H16N2O2 (304.12117159999997)
Oleocanthal
A carboxylic ester that is the 2-(p-hydroxyphenyl)ethyl ester of (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid. Oleocanthal is found in olive oil but it is not clear whether the natural product is a mixture of E/Z isomers or a single isomer as the two isomers readily interconvert in solution; most pharmacological studies will have been performed using a mixture.
2-[(2-Amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propyl]amino]acetic acid
(2r,3ar,6s,7r,7ar)-2-[(2s)-2-Amino-2-Carboxyethyl]-6-Hydroxy-7-(Methylamino)hexahydro-2h-Furo[3,2-B]pyran-2-Carboxylic Acid
4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one
2-[[6-Amino-2-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
Nygerone B
C19H16N2O2 (304.12117159999997)
A member of the class of 4-pyridones that is N-phenylpyridin-4-one which is substituted by a benzyl group at position 2 and an aminocarbonyl group at position 5. It has been isolated from Aspergillus niger ATCC 1015.
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide
3,4-Dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
1-(1-Methylethyl)-3-Quinolin-6-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
3-[(2,2-Dimethylpropanoyl)amino]-N-1,3-Thiazol-2-Ylpyridine-2-Carboxamide
6-[2-(3-Methoxybiphenyl-3-Yl)ethyl]pyridin-2-Amine
2-Oxy-4-Hydroxy-5-(2-Hydrazinopyridine)Phenylalanine
diazinon
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals Same as: D07856
Cocaine(1+)
The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3.
(2S)-1-[(3S)-3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid
[3-carboxy-2-[(E)-4-carboxy-2-hydroxy-3-methylbut-3-enoyl]oxypropyl]-trimethylazanium
C13H22NO7+ (304.13962019999997)
1-(3,3-Dimethylbutan-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
C19H16N2O2 (304.12117159999997)
Dendrocandin D
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 4 and 4, a methoxy group at position 5 and an ethoxy group at alpha-position (the S stereoisomer). It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.
2,4-Bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
9-acetoxy-8,10-epoxythymol 3-O-tiglate
A natural product found in Eupatorium cannabinum subspecies asiaticum.
2-methoxy-N-(2-pyridinylmethyl)-3-dibenzofuranamine
C19H16N2O2 (304.12117159999997)
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-pyrazolecarboxamide
2-Hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulanylpropanoic acid
C13H20O6S (304.09805400000005)
1-Azepanecarboxylic acid (7-chloro-4-quinolinyl) ester
1-(3,4-Dimethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
C16H17FN2O3 (304.12231440000005)
N-[(phenacylamino)-sulfanylidenemethyl]cyclohexanecarboxamide
4-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
N-[2-[3-(ethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]propanamide
2,3,4,5,6-pentamethyl-N-pyridin-3-ylbenzenesulonamide
8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctanoic acid
(7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctanoic acid
N~2~-[3-(3-hydroxy-2-quinoxalinyl)propanoyl]-L-serinamide
6-De(cyclopropylamino)-6-(3-fluoroazetidin-1-yl)abacavir
Scopolamine(1+)
The ammonium ion resulting from the protonation of the amino group of scopolamine.
2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate
2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate
[4-Methoxy-2-[2-[5-methoxy-2-(oxidoazaniumyl)phenyl]ethyl]phenyl]-oxidoazanium
C16H20N2O4 (304.14230000000003)
5-Hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrouro[2,3-h]chromen-2-one
2-[2-(3,3-Dimethyloxiran-2-yl)ethyl]-8-hydroxy-2-methylchromene-5-carboxylic acid
4-Hydroxy-2-methyl-2-(4-methylpent-3-enyl)-1a,7b-dihydrooxireno[2,3-c]chromene-7-carboxylic acid
6,8-Dihydroxy-2-methyl-2-(4-methylpent-3-enyl)chromene-5-carboxylic acid
2-methyl-1-(pyrazin-2-ylmethyl)-1H-naphtho[2,3-d]imidazole-4,9-dione
3,4,5-Trimethoxy-2-methylsulfonylmethylbenzyl methyl ether
C13H20O6S (304.09805400000005)
3-(4-Hydroxyphenyl)-5,9-diaza-14-azoniatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,8(15),10-pentaen-7-one
Benzyl-(2-chloroethyl)-(1-phenoxypropan-2-yl)azanium
C18H23ClNO+ (304.14680780000003)
Vicine
Vicine is a glycoside. Vicine is a natural product found in Momordica charantia, Vicia faba, and Vicia narbonensis with data available. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1]. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1].
1-[6-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol
(6R,6aS,8Z)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
C16H20N2O4 (304.14230000000003)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
D-Nopaline
An amino acid opine resulting from the formal reductive condensation of the amino group of L-arginine with the keto group of 2-oxopentanedioic acid.
N-(Indole-3-acetyl)glutamic acid
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of glutamic acid.
[(3as,11ar)-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl acetate
8-[(1s,2r)-2-ethoxy-1-hydroxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
2-(2-hydroxyethyl)-6-(hydroxymethyl)-4-(3-methoxy-5-methylphenoxy)phenol
[2-(1h-indol-3-ylmethyl)-1h-indol-3-yl]acetic acid
C19H16N2O2 (304.12117159999997)
[(4ar,8ar,9as)-9a-hydroxy-3,8a-dimethyl-2-oxo-4h,4ah,9h-naphtho[2,3-b]furan-5-yl]methyl acetate
(5as,6s,10ar)-10a-hydroxy-2-methyl-3-methylidene-1,4-dioxo-5ah,6h,10h-pyrazino[1,2-a]indol-6-yl acetate
(1s,2r,7s,9s,10r,12s)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]tridec-3-en-2-yl acetate
3-methoxy-5-[(1r)-1-methoxy-2-(4-methoxyphenyl)ethyl]benzene-1,2-diol
{6-methyl-3-methylidene-2,9-dioxo-3ah,4h,5h,6h,6ah,9bh-azuleno[4,5-b]furan-9a-yl}methyl acetate
{9a-hydroxy-3,8a-dimethyl-2-oxo-4h,4ah,9h-naphtho[2,3-b]furan-5-yl}methyl acetate
{6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methyl acetate
5-[(1s,2r)-3-hydroxy-1-(4-hydroxyphenyl)-1-methoxypropan-2-yl]-2-methoxyphenol
(1s,2s,7s,9r,10s,12r)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]tridec-3-en-2-yl acetate
(4ar,5r,6r,7s)-7-hydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-6-yl acetate
n-{1-[3-(methylsulfanyl)prop-2-enoyl]pyrrolidin-2-yl}-2-phenylethanimidic acid
6-hydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-7-yl acetate
6a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(1r,3s,5s,6r,10s,11r)-3,12-dimethyl-7-methylidene-8-oxo-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradec-12-en-5-yl acetate
3,5,8a-trimethyl-2,7-dioxo-4h,4ah,8h,9h,9ah-naphtho[2,3-b]furan-8-yl acetate
(3ar,4s,6s,6as,9ar,9br)-6,9-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,6h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
3-[3-(2-hydroxy-4-methoxyphenyl)propyl]-6-methoxybenzene-1,2-diol
4-[(2s)-2-hydroxy-3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
{5-methoxy-4-oxo-2-[(1z)-pent-1-en-1-yl]-2,3-dihydro-1-benzopyran-7-yl}acetic acid
8,9-bis(2-hydroxypropan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
{8-hydroxy-3,9-dimethylidene-2-oxo-3ah,4h,5h,7h,8h,9ah,9bh-azuleno[4,5-b]furan-6-yl}methyl acetate
(3ar,4s,9s,9as,9bs)-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
5-methoxy-3,6-bis(phenylmethylidene)pyrazin-2-ol
C19H16N2O2 (304.12117159999997)
(2z)-n-[(2s)-1-carbamimidoylpyrrolidin-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid
C15H20N4O3 (304.15353300000004)