Exact Mass: 272.12866180000003
Exact Mass Matches: 272.12866180000003
Found 500 metabolites which its exact mass value is equals to given mass value 272.12866180000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
sempervirin
Sempervirine is a member of beta-carbolines. Sempervirene is a natural product found in Gelsemium sempervirens, Mostuea brunonis, and Gelsemium elegans with data available.
ACMC-20n6an
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid is a 1-benzopyran. 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid is a natural product found in Piper aduncum and Piper hispidum with data available.
Sotalol
Sotalol is only found in individuals that have used or taken this drug. It is an adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias (PubChem). Sotalol has both beta-adrenoreceptor blocking (Vaughan Williams Class I) and cardiac action potential duration prolongation (Vaughan Williams Class I) antiarrhythmic properties. Sotalol is a racemic mixture of d- and l-sotalol. Both isomers have similar Class I antiarrhythmic effects, while the l-isomer is responsible for virtually all of the beta-blocking activity. Sotalol inhibits response to adrenergic stimuli by competitively blocking β1-adrenergic receptors within the myocardium and β2-adrenergic receptors within bronchial and vascular smooth muscle. The electrophysiologic effects of sotalol may be due to its selective inhibition of the rapidly activating component of the potassium channel involved in the repolarization of cardiac cells. The class II electrophysiologic effects are caused by an increase in sinus cycle length (slowed heart rate), decreased AV nodal conduction, and increased AV nodal refractoriness, while the class III electrophysiological effects include prolongation of the atrial and ventricular monophasic action potentials, and effective refractory period prolongation of atrial muscle, ventricular muscle, and atrio-ventricular accessory pathways (where present) in both the anterograde and retrograde directions.
1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
7-Hydroxymethyl-12-methylbenz[a]anthracene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
7,12-Dimethylbenz[a]anthracene 5,6-oxide
This compound belongs to the family of Dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
7-(3-methylbut-2-enyl)-L-tryptophan
An L-tryptophan derivative that is the 7-(3,3-dimethylallyl) derivative of L-tryptophan.
Procaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(S)-Verimol F
(S)-Verimol F is found in fruits. (S)-Verimol F is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). (S)-Verimol F is found in fruits.
Decarbamoylneosaxitoxin
Decarbamoylneosaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol
Maillard reaction product from xylose and tryptophan. Maillard reaction product from xylose and tryptophan
Camonagrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
2-Propenamide, 2-cyano-3-(4-hydroxy-3,5-bis(1-methylethyl)phenyl)-
Fumarylcarboxamido-L-2,3-diaminopropionyl-L-alanine
threo-3-(4-Hydroxy-3,5-dimethoxyphenyl)-3-ethoxypropane-1,2-diol
Linderene acetate
Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1]. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1].
3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.948 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.944 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.946
6-Acetoxy-piliformic-acid
[Raw Data] CBA55_6-Acetoxy-pi_pos_50eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_40eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_30eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_20eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_10eV.txt
12,13-dihydroxy-3,8,11,13-celastratrtraen-7-one|celahypodiol
3,5-Dimethyl-4-(methoxymethyl)-9-methoxy-5,6-dihydronaphtho[2,3-b]furan
Tensyuic acid C
A tensyuic acid that is tensyuic acid B in which the methyl ester group has been replaced by an ethyl ester group. The (-) isomer. In contrast to (inactive) tensyuic acid B, tensyuic acid C shows moderate antimicrobial activity against Bacillus subtilis.
(5beta,10alpha)-12-hydroxy-3,4-seco-podocarpa-4(18),6,8,11,13-pentaen-3-oic acid|6,7-dehydromoluccanic acid
2-Thioxo-5-propyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
11-Hydroxy-1,2,3,4-tetrahydro-1,2-propano-beta-carboline-11-carboxylic acid
2-(1,2,3-trihydroxypropyl)1,2,3,4,5,6-hexahydroxyhexane
3-Hydrocy-8-isopropyl-7-methoxy-5-methyl-2-naphthaldehyde
(+-)-Calcalol-acetat|(S)-5,6,7,8-tetrahydro-3,4,5-trimethylnaphtho[2,3-b]furan-9-yl acetate|cacalol acetate|cacalol acetete|Cacalolacetat|cacalolacetate|O-Acetyl-cacalol
3-hydroxy-8-acetoxypentadeca-1,9,14-trien-4,6-diyne|8-Ac-(Z)-1,9,14-Pentadecatriene-4,6-diyne-3,8-diol|8-Acetoxy-pentadeca-1,6c,14-trien-9,11-diin-13-ol
7,10-Dihydroxy-8,9-epoxy-heptadec-1-en-11,13,15-triin
2-acetyl-9-methoxy-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(10H)-one|boseongazepine A
(E)-2-ethylidene-11-hydroxy-9-methoxy-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(11aH)-one|boseongazepine B
2-(2,4-dihydroxy-5-methylphenyl)-2-(3-hydroxy-4-methylphenyl)propane
1-(1-hydroxy-2-methoxy)ethyl-4-methoxy-beta-carboline|1-(1-Hydroxy-2-methoxyethyl)-4-methoxy-beta-carboline
2,3,4,13-tetrahydro-1H-benz[g]indolo[2,3-a]quinolizine|sempervirine
(1,8E,13Z,16)-heptadecatetraene-4,6-diyne-3,11,12-triol
2, 5-Di-Me ether-1-(3, 5-Dihydroxy-2-methylphenyl)-2-(2-hydroxypyenyl)ethane|3-hydroxy-2,5-dimethoxy-2-methylbibenzyl
(-)-(4aR,8aR)-15-acetoxytubipofuran|(4aR,8aR)-15-acetoxytubipofuran|(4aR,8aR)-4,4a,8a,9-tetrahydro-3,8a-dimethylnaphtho[2,3-b]furan-5-methanol acetate|15-acetoxytubipofuran
3-Hydroxy-2-(5-phenylpentanoyl)-2-cyclohexen-1-one
(all-E)-3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid
Tensyuic acid D
A tensyuic acid that is tensyuic acid B in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
Lindeneyl acetate
Linderene acetate is a natural product found in Lindera chunii with data available. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1]. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1].
sotalol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker CONFIDENCE Reference Standard (Level 1)
(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PYR_273.1235_11.5
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1704
1,3-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
4-{9H-pyrido[3,4-b]indol-1-yl}butane-1,2,4-triol
S-6-(tert-butoxycarbonyl)-5,6-dihydro-6H-[1,4]diazepino[6,7,1-hi]indole
2(1H)-Pyrimidinone,5-acetyl-4-(3-ethenyl-2-hydroxyphenyl)-3,4-dihydro-6-methyl-(9CI)
(R)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID
Perisoxal
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(+)-(s)-n-[4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide
4-AMINO-6-CYANO-3(2H)-QUINAZOLINECARBOXYLIC ACID-1,1-DIMETHYLETHYL ESTER
C14H16N4O2 (272.12731959999996)
(6-HYDROXY-5-(TETRAHYDRO-2H-PYRAN-2-YL)NAPHTHALEN-2-YL)BORONIC ACID
C15H17BO4 (272.12198320000005)
4-(3-(2-METHOXY-4-METHYLPHENYL)PROPYL)BENZENE-1,3-DIOL
2-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)oxazole
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-1,3-oxazole
2-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
Bunaprolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]acetonitrile
tert-Butylpiperazin-1-yl-acetate dihydrochloride
C10H22Cl2N2O2 (272.10582519999997)
tert-butyl 6-cyano-5-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
4,4,5,5-TETRAMETHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O2 (272.11953819999997)
4,4,5,5-TETRAMETHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O2 (272.11953819999997)
2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-FURO[3,2-B]PYRIDINE-6-CARBONITRILE
CHROMONE-6-BORONIC ACID PINACOL ESTER
C15H17BO4 (272.12198320000005)
ethyl 4-(aminomethyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate,hydrochloride
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
C13H16N6O (272.13855259999997)
Albuterol sulfate
Salbutamol Hemisulfate (Albuterol hemisulfate) is a short-acting beta2-adrenoceptor agonist.
2-[(4-Methoxyphenyl)dimethylsilyl]benzyl alcohol
C16H20O2Si (272.12325000000004)
4-(2H-Tetrazol-5-yl)benzeneboronic acid pinacol ester
N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide
4,4,5,5-TETRAMETHYL-2-(2-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O2 (272.11953819999997)
4-[(1-PHENYL-ETHYLAMINO)-METHYL]-BENZONITRILE HYDROCHLORIDE
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enamide
2,3,6,7-tetramethylnaphthalene-1,4-dicarboxylic acid
7-Benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
(S)-2-(3-BOC-AMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID
(4-((2-(Dimethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
2-(4-methyl-piperazin-1-yl)-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde
C14H16N4O2 (272.12731959999996)
tert-Butyl 1,3,4,5-tetrahydro-2H-pyrido-[4,3-b]indole-2-carboxylate
2-(6-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(4-isobutyl-piperazin-1-yl)-acetic acid dihydrochloride
C10H22Cl2N2O2 (272.10582519999997)
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate
(2-amino-2-phenyl-ethyl)-carbamic acid tert-butyl ester hydrochloride
(s)-2-(2-naphthylmethyl)succinic acid-1-methyl ester
(S)-2-(1-NAPHTHYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
(3-Amino-5-(diethylcarbamoyl)phenyl)boronic acid hydrochloride
2-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
bis(4-methoxyphenyl)-dimethylsilane
C16H20O2Si (272.12325000000004)
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
tert-butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate
3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
3-(furan-2-ylmethyl)-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
dimethoxy-bis(4-methylphenyl)silane
C16H20O2Si (272.12325000000004)
tert-Butyl 3-(aminomethyl)benzylcarbamate hydrochloride
ethenyl acetate,2-methylidenebutanoic acid,2-methylprop-2-enoic acid
2-CHLORO-6,7,8,9-TETRAHYDRO-7-(PHENYLMETHYL)-5H-PYRIDO[2,3-D]AZEPINE
[1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-3-yl]-Methyl-aMine hydrochloride
3-PHENYL-1-(PYRIDIN-2-YL)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDINE
Benzyl (4-aminobutyl)methylcarbamate hydrochloride (1:1)
TERT-BUTYL 3,4-DIHYDRO-1H-PYRIDO[3,4-B]INDOLE-2(9H)-CARBOXYLATE
2,8-Diazaspiro[5.5]undecane-1,7-dione, 2-(phenylmethyl)-
2,9-Diazaspiro[5.5]undecane-8,10-dione, 2-(phenylmethyl)
4-(2-Hydroxy-5-methylphenylazo)acetanilide-d3, N-[4-(2-Hydroxy-5-methylphenylazo)phenyl]acetamide-d3
C15H12D3N3O2 (272.13525253399996)
Phenol,2,2-[1,2-ethanediylbis(iminomethylene)]bis- (9CI)
L-Alanine, N-L-alanyl-3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (E)-
Ladostigil
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Pentanamide, N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-
Phoyunbene C
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 3 and methoxy groups at positions 2 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory activity on nitric oxide production.
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
9,10-Dimethoxy-2,4,6,7-tetrahydro-[1,3]oxazino[4,3-a]isoquinoline-1-carbonitrile
N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}-N-(4-methylphenyl)amine
1-[2-Hydroxy-4-(4-methoxy-benzyloxy)-phenyl]ethanone
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 4,4a,5,6-tetrahydro-1-oxo-, ethyl ester
(2S)-2-azaniumyl-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
(S)-norcoclaurinium(1+)
C16H18NO3+ (272.12866180000003)
An organic cation that is the conjugate base of (S)-norcoclaurine: major species at pH 7.3.
norcoclaurine
C16H18NO3+ (272.12866180000003)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
(2S)-2-ammonio-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
C16H18NO3+ (272.12866180000003)
(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
C16H18NO3+ (272.12866180000003)
(2S)-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoate
2,6-diamino-4-(hydroxymethyl)-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-10,10-diol
(Z)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
2-[4-[(3-Fluorophenyl)methyl]-1-piperazinyl]pyrimidine
(4aR,10bS)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
C16H18NO3+ (272.12866180000003)
(4aS,10bR)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
C16H18NO3+ (272.12866180000003)
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(3aS,4R,10aS)-2-amino-5-hydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
1-(4-Hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)propan-1-one
4-Benzyloxy-1-trimethylsilyloxybenzene
C16H20O2Si (272.12325000000004)
3-Phenoxybenzyl alcohol, TMS derivative
C16H20O2Si (272.12325000000004)
(1R)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
6-Methoxymethyl-2,3,4-trimethoxybenzyl methyl sulfide
Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)(aminoacetate
(3-Benzyloxybicyclo[4.1.0]hept-2-en-7-yl)acetic acid methyl ester
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
4-(3-methylbut-2-enyl)-L-tryptophan zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-(3-methylbut-2-enyl)-L-tryptophan; major species at pH 7.3.
(RS)-norcoclaurinium
C16H18NO3 (272.12866180000003)
conjugate acid of (RS)-norcoclaurine
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol
N-(gamma-L-glutamyl)-2-naphthylamine
An L-glutamine derivative that is the amide obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine.
(4aS,10bR)-noroxomaritidine(1+)
C16H18NO3 (272.12866180000003)
An organic cation obtained by protonation of the tertiary amino group of (4aS,10bR)-noroxomaritidine; major species at pH 7.3.
(4aR,10bS)-noroxomaritidine(1+)
C16H18NO3 (272.12866180000003)
An organic cation obtained by protonation of the tertiary amino group of (4aR,10bS)-noroxomaritidine; major species at pH 7.3.
7-(3-methylbut-2-enyl)-L-tryptophan zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy group to the primary amino group of 7-(3-methylbut-2-enyl)-L-tryptophan. Major species at pH 7.3.
ST271
ST271 is a potent inhibitor of protein tyrosine kinase (PTK), inhibits phospholipase D activation stimulated by fMet-Leu-Phe and PAF, with IC50s of 6.7 and 9 μM, respectively.
(5e,7s)-5-ethylidene-8-hydroxy-11-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
(5r,6r,7s,10r)-10-chloro-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one
(5e,7s)-5-ethylidene-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),8,11,13-tetraen-2-one
(3s)-9-methoxy-3-(methoxycarbonyl)-2-methylidene-9-oxononanoic acid
7-methoxy-14-methyl-13-oxatetracyclo[8.5.0.0¹,¹².0³,⁸]pentadeca-3(8),4,6-triene-2,9-dione
(2r,3as,6s,7as)-2,3a-dihydroxy-4,4,7a-trimethyl-3-oxo-tetrahydro-1-benzofuran-6-yl acetate
(4as)-5,8-dihydroxy-1,4a-dimethyl-4,10-dihydro-3h-anthracene-2,9-dione
5-ethylidene-8-hydroxy-11-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
methyl (2s)-2-amino-4-{[(2s)-3-(hydroxymethyl)-2,5-dihydrofuran-2-yl](methyl)carbamoyl}butanoate
(3r,4r)-4-ethenyl-3-[(2z)-3-hydroxy-3-phenylprop-2-enoyl]-4-methyloxolan-2-one
(2s,3s)-3',3',6'-trimethyl-1'h,2h-spiro[furan-3,2'-inden]-2-yl acetate
(2s)-2-amino-3-[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]propanoic acid
(2z,5r,8s)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate
(4s)-4-hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
6-benzyl-1-(2-hydroxyethyl)-4-oxopyridine-3-carboximidic acid
4-ethenyl-3-(3-hydroxy-3-phenylprop-2-enoyl)-4-methyloxolan-2-one
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenol
methyl (2e,8e)-10-{[(2e)-2-methylbut-2-enoyl]oxy}deca-2,8-dien-4,6-diynoate
(5s,7r)-9-methoxy-3,5-dimethyl-8-oxo-5h,6h,7h-naphtho[2,3-b]furan-7-carbaldehyde
methyl 2-amino-4-{[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl](methyl)carbamoyl}butanoate
4-[2-(7-methoxy-2h-1,3-benzodioxol-5-yl)ethyl]phenol
(2s)-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-5,7-diol
(3s,8s,9e)-3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
methyl (2r)-2-methyl-4-[(1s,5r,6r)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoate
4-ethenyl-6,9-dihydroxy-4-methyl-3-methylidene-2h,3ah,9bh-naphtho[1,2-b]furan-5-one
(7s)-5-acetyl-11-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),4,11,13-tetraen-2-one
8-hydroxy-7-methoxy-3,4,5-trimethyl-4h-naphtho[2,3-b]furan-9-one
(7s)-5-ethyl-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,8,10,12-pentaen-2-one
3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
(1r,10s,11s)-11-methyl-6-(3-methylbut-2-en-1-yl)-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2(7),3,5,8-tetraen-3-ol
2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-dimethoxyphenol
2-[6-(acetyloxy)hexyl]-3-methylidenebutanedioic acid
1-(3,5-dihydroxy-2-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2',5-di-me ether
{"Ingredient_id": "HBIN001049","Ingredient_name": "1-(3,5-dihydroxy-2-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2',5-di-me ether","Alias": "NA","Ingredient_formula": "C17H20O3","Ingredient_Smile": "NA","Ingredient_weight": "272.34","OB_score": "NA","CAS_id": "162411-69-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9691","PubChem_id": "NA","DrugBank_id": "NA"}
2',7-dihydroxy-4'-methoxyisoflavan; (±)-form
{"Ingredient_id": "HBIN005019","Ingredient_name": "2',7-dihydroxy-4'-methoxyisoflavan; (±)-form","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "52305-03-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8806","PubChem_id": "NA","DrugBank_id": "NA"}
2, 7-dihyoxy-3, 4-dimethoxy-9, 10- dihydrophenanthrene
{"Ingredient_id": "HBIN005022","Ingredient_name": "2, 7-dihyoxy-3, 4-dimethoxy-9, 10- dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41951","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s),3',4'-dihydroxy-7-methoxy flavan
{"Ingredient_id": "HBIN006615","Ingredient_name": "(2s),3',4'-dihydroxy-7-methoxy flavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=CC2=C(CCC(O2)C3=CC(=C(C=C3)O)O)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5977","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-4',7-dihydroxy-3'-methoxyflavan
{"Ingredient_id": "HBIN006736","Ingredient_name": "(2s)-4',7-dihydroxy-3'-methoxyflavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5978","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S)- 7,3＇- dihydroxy- 4＇- methoxyflavan
{"Ingredient_id": "HBIN006783","Ingredient_name": "(2S)- 7,3\uff07- dihydroxy- 4\uff07- methoxyflavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42861","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4,3'-trimethoxybibenzil
{"Ingredient_id": "HBIN007215","Ingredient_name": "3,4,3'-trimethoxybibenzil","Alias": "NA","Ingredient_formula": "C17H20O3","Ingredient_Smile": "COC1=C(C=C(C=C1)CCC2=CC(=CC=C2)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21883","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,3'-trimethoxybibenzil
{"Ingredient_id": "HBIN007533","Ingredient_name": "3,5,3'-trimethoxybibenzil","Alias": "NA","Ingredient_formula": "C17H20O3","Ingredient_Smile": "COC1=CC=CC(=C1)CCC2=CC(=CC(=C2)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3S)-isovestitol
{"Ingredient_id": "HBIN009723","Ingredient_name": "(3S)-isovestitol","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2","Ingredient_weight": "272.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35700","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44446907","DrugBank_id": "NA"}
4'-hydroxy-7-methoxyflavan-3-ol
{"Ingredient_id": "HBIN010498","Ingredient_name": "4'-hydroxy-7-methoxyflavan-3-ol","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=CC2=C(CC(C(O2)C3=CC=C(C=C3)O)O)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10403","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6''-hydroxyechinofuran b
{"Ingredient_id": "HBIN012431","Ingredient_name": "6''-hydroxyechinofuran b","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7544","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
{"Ingredient_id": "HBIN013602","Ingredient_name": "8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7384","PubChem_id": "NA","DrugBank_id": "NA"}