Exact Mass: 274.1537
Exact Mass Matches: 274.1537
Found 500 metabolites which its exact mass value is equals to given mass value 274.1537,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Podocaric Acid
Podocarpic acid is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It derives from a hydride of a podocarpane. Podocarpic acid is a natural product found in Podocarpus fasciculus, Nageia wallichiana, and other organisms with data available. Podocarpic acid is a natural product, which has the best all-round positive effect and acts as a novel TRPA1 activator.
Chlorpheniramine
Chlorpheniramine is a histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than Promethazine. -- Pubchem; Chlorphenamine or chlorpheniramine, commonly marketed as its salt chlorphenamine maleate (Chlor- Trimeton, Piriton, Chlor- Tripolon), is a first generation antihistamine used in the prevention of the symptoms of allergic conditions such as rhinitis and urticaria.- wikipedia. A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than Promethazine. -- Pubchem; Chlorphenamine or chlorpheniramine, commonly marketed as its salt chlorphenamine maleate (Chlor- Trimeton, Piriton, Chlor- Tripolon), is a first generation antihistamine used in the prevention of the symptoms of allergic conditions such as rhinitis and urticaria.- wikipedia [HMDB] R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
N2-Succinoylarginine
N2-Succinoylarginine is found in pomes. N2-Succinoylarginine is a constituent of the shoots of pear trees Busulfan is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death. D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents Constituent of the shoots of pear trees
4,4-dihydroxy-3,5-dimethoxybibenzyl
A stilbenoid that is ethane in which one of the hydrogens is replaced by a 4-hydroxyphenyl group and one of the hydrogens of the remaining methyl group is replaced by a 4-hydroxy-3,5-dimethoxyphenyl group.
4-Hydroxy-3-polyprenylbenzoate
This compound belongs to the family of Aromatic Monoterpenes. These are monoterpenes containing at least one aromatic ring D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
2-Polyprenyl-6-methoxy-1,4-benzoquinone
This compound belongs to the family of Prenylquinones. These are quinones whose structure is charaterized by the quinone ring substitued by an prenyl side-chain.
Dexchlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines Dexchlorpheniramine is the S-enantiomer of chlorphenamine (chloropheniramine) and is a first-generation alkylamine H1-antihistamine. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
[6]-Dehydroshogaol
[6]-Dehydroshogaol is found in herbs and spices. [6]-Dehydroshogaol is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Dehydroshogaol is found in herbs and spices.
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is found in herbs and spices. 3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is isolated from roots of Ruta graveolens (rue). Isolated from roots of Ruta graveolens (rue). 3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is found in herbs and spices.
Gossyvertin
Gossyvertin is found in fats and oils. Gossyvertin is isolated from the stems of cotton plants (Gossypium sp.) infected with Verticillium dahliae. Isolated from the stems of cotton plants (Gossypium species) infected with Verticillium dahliae. Gossyvertin is found in fats and oils.
Rutacultin
Rutacultin is found in herbs and spices. Rutacultin is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Rutacultin is found in herbs and spices.
4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
Batatasin II
Batatasin II is found in root vegetables. Batatasin II is a constituent of Dioscorea batatas (Chinese yam). Constituent of Dioscorea batatas (Chinese yam). Batatasin II is found in root vegetables.
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices.
1b-Furanoeudesm-4(15)-en-1-ol acetate
1b-Furanoeudesm-4(15)-en-1-ol acetate is found in green vegetables. 1b-Furanoeudesm-4(15)-en-1-ol acetate is a constituent of Smyrnium olusatrum (alexanders)
Panaquinquecol 4
Panaquinquecol 4 is found in tea. Panaquinquecol 4 is a constituent of Panax quinquefolium (American ginseng). Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 4 is found in tea.
Glutaminylglutamine
Glutaminylglutamine is a dipeptide composed of two glutamine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutaminyllysine
Glutaminyllysine is a dipeptide composed of glutamine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Lysylglutamine
Lysylglutamine is a dipeptide composed of lysine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3-Hydroxytetradecanedioic acid
3-Hydroxytetradecanedioic acid is an unusual 3-hydroxydicarboxylic acid human metabolite found occasionally in urine. (PMID 2925825) High levels of 3-Hydroxytetradecanedioic acid (and other 3-hydroxydicarboxylic acids) were detected in the urine of a patient with 3-hydroxydicarboxylic aciduria (PMID 1507493), due to acute intoxication associated with hopantenate occurs owing to pantothenic acid deficiency or the inhibition of CoA-requiring reactions during stress, i.e., infection, prolonged fasting, or malnutrition (PMID 2026687), and in a patient with thanatophoric dysplasia due to enhanced but incomplete oxidation of fatty acid, a consequence of a heterozygous point mutation, S249C in the fibroblast growth factor receptor 3 gene. (PMID 11879084) [HMDB] 3-Hydroxytetradecanedioic acid is an unusual 3-hydroxydicarboxylic acid human metabolite found occasionally in urine. (PMID 2925825) High levels of 3-Hydroxytetradecanedioic acid (and other 3-hydroxydicarboxylic acids) were detected in the urine of a patient with 3-hydroxydicarboxylic aciduria (PMID 1507493), due to acute intoxication associated with hopantenate occurs owing to pantothenic acid deficiency or the inhibition of CoA-requiring reactions during stress, i.e., infection, prolonged fasting, or malnutrition (PMID 2026687), and in a patient with thanatophoric dysplasia due to enhanced but incomplete oxidation of fatty acid, a consequence of a heterozygous point mutation, S249C in the fibroblast growth factor receptor 3 gene. (PMID 11879084).
Glutaminyl-Gamma-glutamate
Glutaminyl-Gamma-glutamate is a dipeptide composed of glutamine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Lysyl-Gamma-glutamate
Lysyl-Gamma-glutamate is a dipeptide composed of lysine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Platydesminium
Platydesminium is found in herbs and spices. Platydesminium is an alkaloid from Ruta graveolens (rue
Imazamethabenz
Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibitor Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibito
4-Alanylaminoantipyrine
4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid
Indolophenanthridine
3a-Methyl-2,3,4,5,5a,10,10a,10b-octahydro-1H-cyclopenta[a]fluorene-2,3,7-triol
2-[(2R)-5-methoxy-2,3-dihydrofuro[3,2-i][3]benzoxepin-2-yl]propan-2-ol
3-Methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diol
3,4-Dihydroxy-3,5-dimethoxybibenzyl
Gigantol is a natural product that could be isolated from Cymbidium giganteum. Gigantol is a potent inhibitor of the spontaneous contractions of the guinea-pig ileum[1].
[4aS-(4aalpha,8beta,8abeta)]-4,4a,7,8,8a,9-Hexahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-8-ol acetate
(+)-6-Ethenyl-2,4,5,6-tetrahydro-3,6-dimethyl-a-methylene-2-oxo-5-benzofuranacetic acid methyl ester
Podocarpic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.131 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.128 Podocarpic acid is a natural product, which has the best all-round positive effect and acts as a novel TRPA1 activator.
8-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran-6-ol
2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acid
[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate
(+-)-1-hydroxy-16,17-didehydro-1,2-dihydro-falcarinolone|1,8-dihydroxy-heptadeca-9c,16-diene-4,6-diyn-3-one
6,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|6,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene
2-Polyprenyl-6-methoxy-1,4-benzoquinone
This compound belongs to the family of Prenylquinones. These are quinones whose structure is charaterized by the quinone ring substitued by an prenyl side-chain.
5,7-dimethoxy-8-(3-methylbut-1-enyl)coumarin|Gleinene
(2E,3R,4R)-2-(dodeca-9,11-diynylidene)-3-hydroxy-4-methylbutanolide
8-(cis-2-Methyl-buten-(2)-oyl)-decen-(2-cis)-diin-(4,6)-saeure-methylester; Angelikaester|8--decen-(2-cis)-diin-(4,6)-saeure-methylester; Angelikaester|Angelicasaeure-cis-8-hydroxy-lachnophyllumester|Angelicasaeureester von cis-Dec-2-en-4,6-diin-8-ol-saeuremethylester
2-(R)-acetoxy-(1<10>E,4E)-furanodiene|2-(R)-acetoxy-(1[10]E,4E)-furanodiene
8-Ac-(Z)-1,9-Pentadecadiene-4,6-diyne-3,8-diol|8-acetoxy-1,9(Z)-pentadecadien-4,6-diyn-3-ol|8-Acetoxy-1,9c-pentadecadien-4,6-diin-3-ol|8-acetoxycentellynol
(+)-(4aS,7R,8aS)-6,9,9-trimethyl-4,4a,7,8,8a,9-hexahydronaphtho<2,3-b>furan-7-yl acetate|(+)-(4aS,7R,8aS)-6,9,9-trimethyl-4,4a,7,8,8a,9-hexahydronaphtho[2,3-b]furan-7-yl acetate
1-[3,6-Dimethyl-5-(3-methylbutanoyl)-2-pyrazinyl]-3-methyl-2-buten-1-one #
1-(4-Hydroxyphenyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)ethane
(+)-(4aS,6R,8aS)-4,4,7-trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho<2,3-b>furan-6-yl acetate|(+)-(4aS,6R,8aS)-4,4,7-trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho[2,3-b]furan-6-yl acetate
3,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|3,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene
(5beta,10alpha)-12-hydroxy-3,4-seco-podocarpa-4(18),8,11,13-tetraen-3-oic acid|moluccanic acid
Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
1-Ac-(Z,Z)-2,9-Pentadecadiene-4,6-diyne-1,8-diol|1-Acetoxypentadecadien-(2c,9c)-diin-(4,6)-ol-(8)
3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-5,8-dioxa-acephenanthrylene-4,9-dione
(15E,8Z)-3-Hydroxy-8,15-heptadecadiene-11,13-diynoic acid
O-Angeloyl,Me ester-(Z)-2-Hydroxy-8-decene-4,6-diynoic acid
(6S)-5,6,dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one|(6S)-5,6-dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one|(6S)-6-[(2R)-2-hydroxy-6-phenylhexyl]-5,6-dihydro-2H-pyran-2-one
(5beta,10alpha)-12,13-dihydroxypodocarpa-8,11,13-trien-3-one
(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
2S-isopropenyl-4,8-dimethoxy-5-methyl-2,3-dihydrobenzo[1,2-b;5,4-b]difuran
4-[1-(3,4-dihydroxyphenyl)ethyl]-5-ethylbenzene-1,2-diol|glechomol C
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)propionate
N-[2,6-dioxo-1-(2-phenylethyl)-3-piperidinyl]acetamide
2,3-Dihydro-6-methoxy-2,3,3,9-tetramethyl-4H-furo[3,2-c][1]benzopyran-4-one
9,10-Epoxide-(Z)-1,9,16-Heptadecatriene-4,6-diyne-3,8-diol
Tri-Me ether-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
2,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|2,17-Dimethyl-18-19-dinorpregna-1,3,5,7,8,11,13-heptaene
1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-
Di-Me ester-2,4,6,8,10,12-Tetradecahexaene-1,14-dioic,acid
<1-(7-Methoxy-5-benzofuranyl)ethyl>angelat|O-Angeloyl-5-(1-Hydroxyethyl)-7-methoxybenzofuran|[1-(7-Methoxy-5-benzofuranyl)ethyl]angelat
Toddaculin
2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- is a natural product found in Zanthoxylum asiaticum with data available. Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activity[1][2][3]. Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activity[1][2][3].
(+)-ustusorane C|9S-methoxy-7R-methyl-2-(propan-2-ylidene)-6,7-dihydro-2H-furo[3,2-h]isochromen-3(9H)-one|ustusorane C
8,9-dihydro-10-methoxy-2,2,7,7-tetramethyl-2H,7H-benzo[1,2-b:5,4-b]dipyran|metacalypogin
5-methoxy-2,8,8-trimethyl-9,10-dihydro-4H,8H-benzo<1,2-b:5,6-b>dipyran-4-one|5-methoxy-2,8,8-trimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-4-one|Dihydroalloptaeroxylin methyl ether|Isoheteropeucenin-methylether|Isoheteropeuceninmethylaether|Isoheteropeuceninmethylether|perforatin A
ACon1_000062
2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)- is a natural product found in Zanthoxylum ailanthoides, Rubia yunnanensis, and other organisms with data available.
KBio2_003599
Heteropeucenin, methyl ether is a natural product found in Harrisonia perforata with data available.
Indole-3-acetyl-L-valine
Annotation level-1 IPB_RECORD: 285; CONFIDENCE confident structure
IAA-Val , Indole-3-acetyl-L-valine
IPB_RECORD: 2321; CONFIDENCE confident structure
IAA-val
Acquisition and generation of the data is financially supported by the Max-Planck-Society
6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
PRI_275.1391_17.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1601
C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester
C17H22O3_1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)
chlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
dexchlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
(4aS)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
4-hydroxy-8-methoxy-5-methyl-3-(3-methylbut-2-enyl)chromen-2-one
ascr#7
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,6R)-6-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is weakly dauer inducing and a weak male-attractant. CONFIDENCE standard compound; INTERNAL_ID 98
[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate_major
4-hydroxy-8-methoxy-5-methyl-3-(3-methylbut-2-enyl)chromen-2-one_major
2,4,6-Heptatrienoic acid, 5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)-
GLN-GLN
A dipeptide formed from two L-glutamine residues.
Lys-GLN
A dipeptide composed of L-lysine and L-glutamine joined by a peptide linkage.
1b-Furanoeudesm-4(15)-en-1-ol acetate
busulfan
D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
oscr#7
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-7-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
tert-butyl 4-(1-hydroxy-2-nitroethyl)piperidine-1-carboxylate
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-tert-butyl-acetamide
HEXAMETHYLENEAMMONIUM HEXAMETHYLENEDITHIOCARBAMATE
4-(E-2-Carboxyvinyl)phenylboronic acid pinacol ester
2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
5,5,5-Trifluoro-N2-[(1R)-1-phenylethyl]-D-norvalinamide
tert-Butyl (3-(4-cyanophenyl)oxetan-3-yl)carbamate
7-(PROP-2-YN-1-YL)-1,3-DIPROPYL-1H-PURINE-2,6(3H,7H)-DIONE
3-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
4-PHENYL-5-(PIPERIDIN-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
ETHYL 1-BENZYL-HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
N-METHYL-2-MORPHOLINO-5-(TRIFLUOROMETHYL)BENZYLAMINE
2-Pyrrolidin-1-ylpyridine-3-boronic acid pinacol ester
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N,N-diethyl-acetamide
2,2-Dimethyl-N-(5-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
octahydro-quinoxaline-1-carboxylic acid benzyl ester
ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate
1-(1-BENZYL-PIPERIDIN-4-YL)-AZETIDINE-3-CARBOXYLIC ACID
diethyl 2-propan-2-yl-1,3-dioxane-5,5-dicarboxylate
2,2-Dimethyl-N-(3-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
benzyl 2-amino-7-azaspiro[3.5]nonane-7-carboxylate
(S)-2-Azido-4-(Methylthio)butanoic acid cyclohexylamMonium salt
1,1,3-Propanetricarboxylicacid, 2-methyl-, 1,1,3-triethyl ester
N-(4-oxospiro[chroman-2,4-piperidine]-6-yl)acetamide
(1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)methanol
methyl-2,3:4,6-di-o-isopropylidene-d-mannopyranoside
ETHANONE, 1-[1-[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]
1,4,7,10,13-Benzopentaoxacyclopentadecin,tetradecahydro-
2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane,prop-2-enoic acid
2,6-DIMETHOXY-4-{[(PYRIDIN-3-YLMETHYL)AMINO]METHYL}PHENOL
ETHYL1-BENZYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
2,6-Diazaspiro[4.5]decane-2-carboxylic acid, phenylmethyl ester
tert-butyl 5-propanoylpyrrolo[3,2-b]pyridine-1-carboxylate
[3-(2-AMINO-ETHYL)-1H-INDOL-2-YL]-ACETIC ACID TERT-BUTYL ESTER
2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanol
(4S,5S)-2,2-diMethyl-1,3-Dioxolane-4,5-dicarboxylic acid 4,5-bis(1-Methylethyl) ester
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
1,2-o-cyclohexylidene-3-o-methyl-alpha-d-glucofuranose
CY 208-243
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-4-(3-methylphenyl)-2-oxo-,ethylester(9CI)
tert-butyl (2-(5-methyl-1H-indol-3-yl)ethyl)carbamate
(alphaR,betaS)-beta-Amino-6-(1,1-dimethylethyl)-alpha-methyl-1H-benzimidazole-2-propanamide
Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
2-Heptenoic acid, 6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-, (2E,6R)-
Isamoltan
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(2E)-7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hept-2-enoic acid
5-Methyl-8-nitro-1,2,4,5-tetrahydrospiro[2-benzazepine-3,1-cyclohexane]
4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione
4-(Dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
4-[(1,2-Dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid
(2-Carbamoylmethyl-5-propyl-octahydro-indol-7-YL)acetic acid
(3R)-3-methyl-D-glutamyl-semialdehyde-Nepsilon-L-lysine
[(2S)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxyhex-4-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-oxohexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-oxohexanoyloxy)propyl]-trimethylazanium
4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide
2,3-Dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium
2-[(4-Methoxyphenyl)hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione
3-[3,8-Bis(ethenyl)deca-1,4,6,9-tetraen-3-yl]bicyclo[3.1.1]hepta-1(6),2,4-triene
6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
[(2R)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
(2S)-N-Carbobenzoxy-2-(pyrrolidine-2-YL)pyrrolidine
4-(Trimethylsilylmethyl)-6-(2-phenylethyl)-5,6-dihydro-2H-pyran
3-Geranyl-4-hydroxybenzoic acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
N(2)-succinyl-L-arginine
An N-acyl-L-arginine resulting from the formal condensation of the alpha-amino group of L-arginine with one of the carboxy groups of succinic acid
6-Methoxy-2-(3,7-dimethyl-2,6-octadienyl)-2,5-cyclohexadiene-1,4-dione
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
6-(3-heptyloxiran-2-yl)-1-(oxiran-2-yl)hexa-2,4-diyn-1-one
N2-Succinoylarginine
D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
4-O-methylnorbelladine(1+)
An organic cation obtained by protonation of the secondary amino group of 4-O-methylnorbelladine; major species at pH 7.3.
N-(indole-3-acetyl)valine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of valine.
PhiKan 083 hydrochloride
PhiKan 083 hydrochloride is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM[1], and a relative binding affinity (Kd) of 150 μM in Ln229 cells[3].
(2z)-2-[(4-methylfuran-2-yl)methylidene]-6-methylideneoct-7-en-1-yl acetate
(1r)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaene
9,10,13-trimethyl-3-oxatricyclo[7.2.2.0²,⁶]trideca-2(6),4,10-trien-8-yl acetate
2-[(2s)-5,8-dimethyl-4-oxo-2,3-dihydro-1h-naphthalen-2-yl]propan-2-yl acetate
(8r)-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan-8-yl acetate
2-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-6-methoxycyclohexa-2,5-diene-1,4-dione
(4e,6s,8e)-12-methoxy-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(14),4,8,11(15),12-pentaen-6-ol
(4as,8r,8ar)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h-naphtho[2,3-b]furan-8-yl acetate
(3r)-5-hydroxy-3-(3-hydroxypropyl)-1-methyl-6-(phenylmethylidene)-3h-pyrazin-2-one
(4as,7s,8ar)-6,9,9-trimethyl-4h,4ah,7h,8h,8ah-naphtho[2,3-b]furan-7-yl acetate
(2s,3s,3'ar)-3',3',6'-trimethyl-4',5'-dihydro-2h,3'ah-spiro[furan-3,2'-inden]-2-yl acetate
5-isopropyl-3,8-dimethyl-6-oxo-7,8-dihydro-5h-naphthalen-2-yl acetate
3-(1-hydroxyethyl)-6-(3-methylbut-2-en-1-yl)-1,3-dihydro-2-benzoxepin-9-ol
4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxybenzaldehyde
13-hydroxypentadeca-7,14-dien-9,11-diyn-6-yl acetate
6,9,9-trimethyl-4h,4ah,7h,8h,8ah-naphtho[2,3-b]furan-7-yl acetate
2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene
{"Ingredient_id": "HBIN004604","Ingredient_name": "2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene","Alias": "NA","Ingredient_formula": "C16H26Si2","Ingredient_Smile": "CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C","Ingredient_weight": "274.55 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40861","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "612795","DrugBank_id": "NA"}
2-acetoxyfuranodiene
{"Ingredient_id": "HBIN005113","Ingredient_name": "2-acetoxyfuranodiene","Alias": "NA","Ingredient_formula": "C17H22O3","Ingredient_Smile": "CC1=CCC2=C(CC(=CCC1)C)OC(=C2C)OC(=O)C","Ingredient_weight": "274.35 g/mol","OB_score": "44.74453509","CAS_id": "NA","SymMap_id": "SMIT03627","TCMID_id": "NA","TCMSP_id": "MOL001159","TCM_ID_id": "NA","PubChem_id": "91748044","DrugBank_id": "NA"}
3β-acetoxyatractylone
{"Ingredient_id": "HBIN008151","Ingredient_name": "3\u03b2-acetoxyatractylone","Alias": "NA","Ingredient_formula": "C17H22O3","Ingredient_Smile": "NA","Ingredient_weight": "274.35","OB_score": "54.06671707","CAS_id": "61206-10-8","SymMap_id": "SMIT01158","TCMID_id": "NA","TCMSP_id": "MOL000049;MOL000188","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,12-epoxy-1(10),4,7,11-germacratetraen-15-ol; (1(10)e,4z)-form,ac
{"Ingredient_id": "HBIN013540","Ingredient_name": "8,12-epoxy-1(10),4,7,11-germacratetraen-15-ol; (1(10)e,4z)-form,ac","Alias": "NA","Ingredient_formula": "C17H22O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7398","PubChem_id": "NA","DrugBank_id": "NA"}
