Exact Mass: 335.1601

Exact Mass Matches: 335.1601

Found 138 metabolites which its exact mass value is equals to given mass value 335.1601, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

isopentenyl adenosine

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol

C15H21N5O4 (335.1593)


Riboprine, also known as isopentenyladenosine or ipa, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Riboprine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Riboprine can be found in a number of food items such as peppermint, chinese mustard, custard apple, and green bean, which makes riboprine a potential biomarker for the consumption of these food products. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Acquisition and generation of the data is financially supported in part by CREST/JST. Same as: D05726 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].

   

Naratriptan

1H-Indole-5-ethanesulfonamide, N-methyl-3-(1-methyl-4-piperidinyl)-, monohydrochloride

C17H25N3O2S (335.1667)


Naratriptan is only found in individuals that have used or taken this drug. It is a triptan drug used for the treatment of migraine headaches. It is a selective 5-hydroxytryptamine1 receptor subtype agonist.Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents

   

(+)-Validoxylamine-A

(1S,2S,3R,6S)-4-(hydroxymethyl)-6-[[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol

C14H25NO8 (335.158)


An amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. Validoxylamine A is an amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It has a role as an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor, a bacterial metabolite, an antibiotic insecticide and an animal metabolite. It is an amino cyclitol and a secondary amino compound. It is functionally related to a validamine. It is a conjugate base of a validoxylamine A(1+). Validoxylamine A is a natural product found in Apis ceran

   

Almotriptan

dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine

C17H25N3O2S (335.1667)


Almotriptan is a triptan drug for the treatment of migraine headaches. Almotriptan is in a class of medications called selective serotonin receptor agonists. It works by narrowing blood vessels in the brain, stopping pain signals from being sent to the brain, and stopping the release of certain natural substances that cause pain, nausea, and other symptoms of migraine. Almotriptan does not prevent migraine attacks. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].

   

N6-Cyclopentyladenosine

2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C15H21N5O4 (335.1593)


   

Acarviosin

6-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

C14H25NO8 (335.158)


   

Dansylcadaverine

N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C17H25N3O2S (335.1667)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

Hippuryl-L-arginine

5-[(diaminomethylidene)amino]-2-[2-(phenylformamido)acetamido]pentanoic acid

C15H21N5O4 (335.1593)


   

Riboprine

2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol

C15H21N5O4 (335.1593)


   

2-(4-(Benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridine

2-(5-Benzo(1,3)dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine hydrochloride

C20H21N3O2 (335.1634)


   

Tubastatin A

N-Hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

C20H21N3O2 (335.1634)


   

N-6-Isopent-2-enyl-adenosine

(2S,3R,4S,5S)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol

C15H21N5O4 (335.1593)


N-6-isopent-2-enyl-adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). N-6-isopent-2-enyl-adenosine can be found in wild celery, which makes N-6-isopent-2-enyl-adenosine a potential biomarker for the consumption of this food product.

   

Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[o-(dimethylamino)phenyl]-2,3-dihydro-5-methoxy-

Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[o-(dimethylamino)phenyl]-2,3-dihydro-5-methoxy-

C20H21N3O2 (335.1634)


   
   
   
   

2,3-O-Isopropylidene-N-Dimethyladenosine

2,3-O-Isopropylidene-N-Dimethyladenosine

C15H21N5O4 (335.1593)


   

Zeatin 2-deoxyribofuranoside

Zeatin 2-deoxyribofuranoside

C15H21N5O4 (335.1593)


   

3-Phenyl-5-(3-methyl-2-butenyl)-6-methoxy-8-hydroxyisoquinoline-1(2H)-one

3-Phenyl-5-(3-methyl-2-butenyl)-6-methoxy-8-hydroxyisoquinoline-1(2H)-one

C21H21NO3 (335.1521)


   

Cyclopiazonic acid imine

Cyclopiazonic acid imine

C20H21N3O2 (335.1634)


   

2-Deoxyribosylzeatin|2-Deoxyzeatin 9-beta-D-ribofuranoside|2-deoxyzeatin riboside|6-(4-hydroxy-3-methylbut-trans-2-enylamino)-9-beta-2-deoxy-D-ribofuranosylpurine|9-(2-deoxy-beta-D-ribofuranosyl)-trans-zeatin|cytokinin

2-Deoxyribosylzeatin|2-Deoxyzeatin 9-beta-D-ribofuranoside|2-deoxyzeatin riboside|6-(4-hydroxy-3-methylbut-trans-2-enylamino)-9-beta-2-deoxy-D-ribofuranosylpurine|9-(2-deoxy-beta-D-ribofuranosyl)-trans-zeatin|cytokinin

C15H21N5O4 (335.1593)


   
   
   
   
   

Tubastatin A

N-hydroxy-4-((2H-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl)benzamide

C20H21N3O2 (335.1634)


   
   
   
   
   
   

isopentenyl-Adenosine-[d6]

isopentenyl-Adenosine-[d6]

C15H21N5O4 (335.1593)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

Isopentenyl-Adenosine

Isopentenyl-Adenosine

C15H21N5O4 (335.1593)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

Isopentenyladenosine

N6-Isopentenyladenosine

C15H21N5O4 (335.1593)


N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].

   

N6-Isopentenyladenosine

6-(gamma,gamma-Dimethylallylamino)purine riboside

C15H21N5O4 (335.1593)


N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].

   

Riboprine

Isopentenyladenine riboside

C15H21N5O4 (335.1593)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Same as: D05726 CONFIDENCE standard compound; INTERNAL_ID 306 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].

   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

Almotriptan

Almotriptan

C17H25N3O2S (335.1667)


N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].

   

2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 6-BORONO-3,4-DIHYDRO-, 2-(1,1-DIMETHYLETHYL) 3-METHYL ESTER

2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 6-BORONO-3,4-DIHYDRO-, 2-(1,1-DIMETHYLETHYL) 3-METHYL ESTER

C16H22BNO6 (335.154)


   

3-(Benzyloxy)-2-(2-(benzyloxy)ethoxy)pyridine

3-(Benzyloxy)-2-(2-(benzyloxy)ethoxy)pyridine

C21H21NO3 (335.1521)


   

N-Fmoc-piperidine-4-carbaldehyde

N-Fmoc-piperidine-4-carbaldehyde

C21H21NO3 (335.1521)


   

Potassium tris(3,5-dimethyl-1-pyrazolyl)borate

Potassium tris(3,5-dimethyl-1-pyrazolyl)borate

C15H21BKN6 (335.1558)


   

N6-Cyclopentyladenosine

N6-Cyclopentyladenosine

C15H21N5O4 (335.1593)


N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2]. N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2].

   

1-[[2,4,6-Tris(isopropyl)phenyl]sulfonyl]-1H-1,2,4-triazole

1-[[2,4,6-Tris(isopropyl)phenyl]sulfonyl]-1H-1,2,4-triazole

C17H25N3O2S (335.1667)


   

N-[(2S)-1-Phenyl-2-propanyl]-L-lysinamide dihydrochloride

N-[(2S)-1-Phenyl-2-propanyl]-L-lysinamide dihydrochloride

C15H27Cl2N3O (335.1531)


   

Nylidrin hydrochloride

Nylidrin hydrochloride

C19H26ClNO2 (335.1652)


D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

SB505124

2-(4-(Benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridine

C20H21N3O2 (335.1634)


   

tert-butyl N-tert-butoxycarbonyl-n-(7h-purin-6-yl)carbamate

tert-butyl N-tert-butoxycarbonyl-n-(7h-purin-6-yl)carbamate

C15H21N5O4 (335.1593)


   

N-tritylaniline

N-tritylaniline

C25H21N (335.1674)


   

tert-butyl 6-fluoro-4-oxospiro[3H-chromene-2,4-piperidine]-1-carboxylate

tert-butyl 6-fluoro-4-oxospiro[3H-chromene-2,4-piperidine]-1-carboxylate

C18H22FNO4 (335.1533)


   

N-(3-Methyl-2-buten-1-yl)adenosine

N-(3-Methyl-2-buten-1-yl)adenosine

C15H21N5O4 (335.1593)


   

Hippuryl-Arg-OH

Hippuryl-Arg-OH

C15H21N5O4 (335.1593)


   

1-[3,4-Bis(benzyloxy)phenyl](2H3)ethanone

1-[3,4-Bis(benzyloxy)phenyl](2H3)ethanone

C22H17D3O3 (335.1601)


   

9,9-dimethyl-N-(naphthalen-2-yl)-9H-fluoren-2-amine

9,9-dimethyl-N-(naphthalen-2-yl)-9H-fluoren-2-amine

C25H21N (335.1674)


   

Azido-PEG5-acid

Azido-PEG5-acid

C13H25N3O7 (335.1692)


   

L-Arginine β-naphthylamide hydrochloride

L-Arginine β-naphthylamide hydrochloride

C16H22ClN5O (335.1513)


   

(9H-FLUOREN-9-YL)METHYL (4-OXOCYCLOHEXYL)CARBAMATE

(9H-FLUOREN-9-YL)METHYL (4-OXOCYCLOHEXYL)CARBAMATE

C21H21NO3 (335.1521)


   

4-Tritylaniline

4-Tritylaniline

C25H21N (335.1674)


   

6-Hydroxy-5-undecyl-4,7-benzothiazoledione

6-Hydroxy-5-undecyl-4,7-benzothiazoledione

C18H25NO3S (335.1555)


   
   
   

Coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-

Coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-

C21H21NO3 (335.1521)


   

2-{5-[Amino(iminio)methyl]-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate

2-{5-[Amino(iminio)methyl]-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate

C20H21N3O2 (335.1634)


   

3-[4-(1-Formylpiperazin-4-yl)-benzylidenyl]-2-indolinone

3-[4-(1-Formylpiperazin-4-yl)-benzylidenyl]-2-indolinone

C20H21N3O2 (335.1634)


   

4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine

4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine

C20H21N3O2 (335.1634)


   

N-6-Isopent-2-enyl-adenosine

N-6-Isopent-2-enyl-adenosine

C15H21N5O4 (335.1593)


   

Pyridinopyrone C

Pyridinopyrone C

C21H21NO3 (335.1521)


A natural product found in Streptomyces species.

   

Pyridinopyrone B

Pyridinopyrone B

C21H21NO3 (335.1521)


A natural product found in Streptomyces species.

   

n(6)-Isopentenyladenosine

n(6)-Isopentenyladenosine

C15H21N5O4 (335.1593)


   

5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methylbenzyl)-1H-pyrazole-3-carboxamide

5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methylbenzyl)-1H-pyrazole-3-carboxamide

C20H21N3O2 (335.1634)


   

1-[(4-Tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole

1-[(4-Tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole

C20H21N3O2 (335.1634)


   

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propyl-2-pyridinecarboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propyl-2-pyridinecarboxamide

C20H21N3O2 (335.1634)


   

2-(7-Oxo-7-phenylheptyl)isoindoline-1,3-dione

2-(7-Oxo-7-phenylheptyl)isoindoline-1,3-dione

C21H21NO3 (335.1521)


   

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-4-pyridinecarboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-4-pyridinecarboxamide

C20H21N3O2 (335.1634)


   
   

4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide

4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide

C20H21N3O2 (335.1634)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

Ethyl (Z)-2-cyano-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoate

Ethyl (Z)-2-cyano-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoate

C20H21N3O2 (335.1634)


   

4-[(Z)-[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]-2-ethoxyphenol

4-[(Z)-[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]-2-ethoxyphenol

C20H21N3O2 (335.1634)


   

naratriptan

naratriptan

C17H25N3O2S (335.1667)


N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents

   

Dansylcadaverine

Dansylcadaverine

C17H25N3O2S (335.1667)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

2-[6-(Cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol

2-[6-(Cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol

C15H21N5O4 (335.1593)


   

N(6)-(delta(2)-Isopentenyl)adenosine

N(6)-(delta(2)-Isopentenyl)adenosine

C15H21N5O4 (335.1593)


A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group.

   
   

N-(3-methylbut-3-en-1-yl)adenosine

N-(3-methylbut-3-en-1-yl)adenosine

C15H21N5O4 (335.1593)


   

NL-1

NL-1

C18H25NO3S (335.1555)


NL-1 is a mitoNEET inhibitor with antileukemic effect. NL-1 inhibits REH and REH/Ara-C cells growth with IC50s of 47.35 μM and 56.26 μM, respectively. NL-1-mediated death in leukemic cells requires the activation of the autophagic pathway[1].

   

VU0364289

VU0364289

C20H21N3O2 (335.1634)


VU0364289 is a highly selective mGlu5 positive allosteric modulator (PAM) (binds to the MPEP (HY-14609A) site), with an EC50 of 1.6 μM. VU0364289 can reverse amphetamine-induced hyperlocomotion in a dose-dependent manner, which can be used for schizophrenia and other psychiatric research[1][2][3].

   

5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione

5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione

C20H21N3O2 (335.1634)


   

2-{2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl}aniline

2-{2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl}aniline

C20H21N3O2 (335.1634)


   

(2r,3s,5r)-5-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

(2r,3s,5r)-5-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C15H21N5O4 (335.1593)


   

adhatodine

NA

C20H21N3O2 (335.1634)


{"Ingredient_id": "HBIN014711","Ingredient_name": "adhatodine","Alias": "NA","Ingredient_formula": "C20H21N3O2","Ingredient_Smile": "CNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2r,3r,4s,5s)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolane-3,4-diol

(2r,3r,4s,5s)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolane-3,4-diol

C15H21N5O4 (335.1593)


   

10-{[2-(4-hydroxyphenyl)ethyl]imino}-2,7-dimethyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-trien-11-one

10-{[2-(4-hydroxyphenyl)ethyl]imino}-2,7-dimethyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-trien-11-one

C20H21N3O2 (335.1634)


   

4-methoxy-3-methyl-6-[5-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one

4-methoxy-3-methyl-6-[5-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one

C21H21NO3 (335.1521)


   

6-ethylidene-5-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazin-2-one

6-ethylidene-5-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazin-2-one

C20H21N3O2 (335.1634)


   

methyl 2-(methylamino)-5-{1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl}benzoate

methyl 2-(methylamino)-5-{1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl}benzoate

C20H21N3O2 (335.1634)


   

(2s,3s,5e,9r)-5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione

(2s,3s,5e,9r)-5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione

C20H21N3O2 (335.1634)


   

4-methoxy-3-methyl-6-[3-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one

4-methoxy-3-methyl-6-[3-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one

C21H21NO3 (335.1521)


   

methyl 2-(methylamino)-5-[(3s)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl]benzoate

methyl 2-(methylamino)-5-[(3s)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl]benzoate

C20H21N3O2 (335.1634)


   

(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-methylbut-1-en-1-yl)oxolane-3,4-diol

(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-methylbut-1-en-1-yl)oxolane-3,4-diol

C15H21N5O4 (335.1593)


   

5-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-9-yl}-2-(hydroxymethyl)oxolan-3-ol

5-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-9-yl}-2-(hydroxymethyl)oxolan-3-ol

C15H21N5O4 (335.1593)


   

4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

C14H25NO8 (335.158)


   

(3r)-3-[2-(dimethylamino)phenyl]-5-methoxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one

(3r)-3-[2-(dimethylamino)phenyl]-5-methoxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one

C20H21N3O2 (335.1634)


   

(3z,6z)-3-ethylidene-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,5-diol

(3z,6z)-3-ethylidene-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,5-diol

C20H21N3O2 (335.1634)


   

(2e,4e,6e,8e)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-9-(2-methylphenyl)nona-2,4,6,8-tetraenimidic acid

(2e,4e,6e,8e)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-9-(2-methylphenyl)nona-2,4,6,8-tetraenimidic acid

C21H21NO3 (335.1521)