Exact Mass: 272.1444
Exact Mass Matches: 272.1444
Found 500 metabolites which its exact mass value is equals to given mass value 272.1444,
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
(1R*,5R*,6R*,8S*,9S*)-8-chloro-1,6-epoxy-5-isopropyl-3,3,9-trimethylbicyclo[4.3.0]nonan-9-ol
11-Hydroxy-1,2,3,4-tetrahydro-1,2-propano-beta-carboline-11-carboxylic acid
8-isobutyryloxy-6-peroxy-7(9)-dehydro-6,7-dihydrolinalol
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
(3R,5S,6R,7S,8Z)-8-en-5,7-dihydroxy-3,6-epoxytetradecanoic acid
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
TERT-BUTYL (4-AMINO-1-CYCLOBUTYL-3-HYDROXY-4-OXOBUTAN-2-YL)CARBAMATE
(S)-tert-butyl 3-(Methoxy(Methyl)carbamoyl)piperidine-1-carboxylate
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
(6-HYDROXY-5-(TETRAHYDRO-2H-PYRAN-2-YL)NAPHTHALEN-2-YL)BORONIC ACID
3-(3-TERT-BUTOXYCARBONYLAMINO-AZETIDIN-1-YL)-2-METHYL-PROPIONICACIDMETHYLESTER
1H-Pyrrolo[2,3-b]pyridine, 2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
4-(3-(2-METHOXY-4-METHYLPHENYL)PROPYL)BENZENE-1,3-DIOL
9-[1-(2,4-CYCLOPENTADIEN-1-YL)-1-METHYLETHYL]-9H-FLUORENE
tert-butyl 4-amino-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
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
(2S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(PIPERIDIN-4-YL)PROPANOIC ACID
2-methoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)acetamide
3-((tert-Butoxycarbonyl)amino)-3-(piperidin-4-yl)propanoic acid
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
Pyrrolidin-2-yl-(1,4,7-trioxa-10-aza-cyclododec-10-yl)-methanone
ETHYL 4-((TERT-BUTOXYCARBONYL)AMINO)PIPERIDINE-4-CARBOXYLATE
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
4,4,5,5-TETRAMETHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-FURO[3,2-B]PYRIDINE-6-CARBONITRILE
ethyl 4-(aminomethyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate,hydrochloride
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
Albuterol sulfate
Salbutamol Hemisulfate (Albuterol hemisulfate) is a short-acting beta2-adrenoceptor agonist.
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
3-[4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl]propanoic acid
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enamide
TERT-BUTYL 3-(METHOXY(METHYL)CARBAMOYL)PIPERIDINE-1-CARBOXYLATE
7-Benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
(S)-2-(3-BOC-AMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID
1-tert-Butyl 3-ethyl 4-aminopiperidine-1,3-dicarboxylate
2-(4-methyl-piperazin-1-yl)-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde
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
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate
(2-amino-2-phenyl-ethyl)-carbamic acid tert-butyl ester hydrochloride
2-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
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-(1,4-dioxaspiro[4.5]decan-8-yl)hydrazinecarboxylate
tert-butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate
3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
tert-Butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate
tert-Butyl 3-(aminomethyl)benzylcarbamate hydrochloride
tert-butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate
ethenyl acetate,2-methylidenebutanoic acid,2-methylprop-2-enoic acid
[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)
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-2-carboxylate
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate
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
2-Methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanenitrile
Phenol,2,2-[1,2-ethanediylbis(iminomethylene)]bis- (9CI)
Methyl 4-aminomethyl-1-Boc-piperidine-4-carboxylate
1-Piperidinecarboxylic acid, 3-[(MethoxyMethylamino)carbonyl]-, 1,1-dimethylethyl ester, (3R)-
TERT-BUTYL 4-(1-AMINO-2-METHOXY-2-OXOETHYL)PIPERIDINE-1-CARBOXYLATE
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-
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
1-tert-Butyl 3-ethyl 1,4-diazepane-1,3-dicarboxylate
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 4,4a,5,6-tetrahydro-1-oxo-, ethyl ester
Alora
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Estradiol (β-Estradiol) is a steroid hormone and the major female sex hormone. Estradiol can up-regulate the expression of neural markers of human endometrial stem cells (hEnSCs) and promote their neural differentiation. Estradiol can be used for the research of cancers, neurodegenerative diseases and neural tissue engineering[1][2]. Estradiol (β-Estradiol) is a steroid hormone and the major female sex hormone. Estradiol can up-regulate the expression of neural markers of human endometrial stem cells (hEnSCs) and promote their neural differentiation. Estradiol can be used for the research of cancers, neurodegenerative diseases and neural tissue engineering[1][2].
(2S)-2-azaniumyl-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
(S)-norcoclaurinium(1+)
An organic cation that is the conjugate base of (S)-norcoclaurine: major species at pH 7.3.
norcoclaurine
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
(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
(2S)-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoate
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-17-one
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
Estra-1,3,5(10)-triene-3,17-diol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(13S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
3beta,12-Dihydroxy-13-methyl-6,8,11,13-podocarpatetraene
A diterpenoid that is podocarpa-6,8,11,13-tetraene substituted by a methyl group at position 13 and hydroxy groups at position 3 and 12. Isolated from Securinega suffruticosa, it exhibits cytotoxicity towards human cancer cells.
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
(4aS,10bR)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
virensol B
A member of the class of hydroxybenzyl alcohols that is 2-(hydroxymethyl)phenol in which the hydrogen at position 3 is substituted by a (1E,3E,5E)-undeca-1,3,5-trien-1-yl group.
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
Butyronitrile, 2-(trimethylsilyloxy)-(3S)-(t-butoxycarbonyl)amino-
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
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.
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
(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+)
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+)
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.
17alpha-Estradiol
An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer).
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
(2r,3as,6s,7as)-2,3a-dihydroxy-4,4,7a-trimethyl-3-oxo-tetrahydro-1-benzofuran-6-yl acetate
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
(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
6-benzyl-1-(2-hydroxyethyl)-4-oxopyridine-3-carboximidic acid
(1s,3ar,3br,9br,11as)-11a-methyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,7-diol
methyl 2-amino-4-{[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl](methyl)carbamoyl}butanoate
(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
(6e,12e)-1-(2-methylpropoxy)tetradeca-6,12-dien-8,10-diyn-3-one
(7s)-5-acetyl-11-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),4,11,13-tetraen-2-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
(1r,2r,6r,7s,8s)-8-chloro-2-isopropyl-4,4,7-trimethyl-10-oxatricyclo[4.3.1.0¹,⁶]decan-7-ol
3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
6-hydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3h-phenanthren-2-one
(12z,18z)-henicosa-12,18-dien-1,3,8,10,20-pentayne
(4as,10as)-6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(1s,2r,6s,7r,8r)-8-chloro-2-isopropyl-4,4,7-trimethyl-10-oxatricyclo[4.3.1.0¹,⁶]decan-7-ol
(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-[6-(acetyloxy)hexyl]-3-methylidenebutanedioic acid
12,13-dihydro-12,13-epoxybabakuchiol
{"Ingredient_id": "HBIN000533","Ingredient_name": "12,13-dihydro-12,13-epoxybabakuchiol","Alias": "NA","Ingredient_formula": "C18H24O2","Ingredient_Smile": "CC1(C(O1)CCC(C)(C=C)C=CC2=CC=C(C=C2)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
2,3-epoxybakuchiol
{"Ingredient_id": "HBIN004090","Ingredient_name": "2,3-epoxybakuchiol","Alias": "NA","Ingredient_formula": "C18H24O2","Ingredient_Smile": "CC1(C(O1)CCC(C)(C=C)C=CC2=CC=C(C=C2)O)C","Ingredient_weight": "272.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41111","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15818782","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"}
3β,12-dihydroxy-13-methyl-6,8,11,13-podo-carpatetraen
{"Ingredient_id": "HBIN008010","Ingredient_name": "3\u03b2,12-dihydroxy-13-methyl-6,8,11,13-podo-carpatetraen","Alias": "NA","Ingredient_formula": "C18H24O2","Ingredient_Smile": "CC1=C(C=C2C(=C1)C=CC3C2(CCC(C3(C)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6043","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
