Exact Mass: 282.1235
Exact Mass Matches: 282.1235
Found 500 metabolites which its exact mass value is equals to given mass value 282.1235,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Hydroxynevirapine
2-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 2-Hydroxynevirapine is a metabolite of Nevirapine. 2-hydroxynevirapine belongs to the family of Pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
2-Aminoadenosine
2-Aminoadenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
Threonyltyrosine
Threonyltyrosine is a dipeptide composed of threonine and tyrosine. 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.
Tyrosyl-Threonine
Tyrosyl-Threonine is a dipeptide composed of tyrosine and threonine. 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.
12-Hydroxynevirapine
12-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 12-Hydroxynevirapine is a metabolite of Nevirapine. 12-hydroxynevirapine belongs to the family of 1,4-Diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
8-Hydroxynevirapine
8-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 8-Hydroxynevirapine is a metabolite of Nevirapine. 8-hydroxynevirapine belongs to the family of 1,4-Diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
3-Hydroxynevirapine
3-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 3-Hydroxynevirapine is a metabolite of Nevirapine. 3-hydroxynevirapine belongs to the family of 1,4-Diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
Isoeugenol phenylacetate
Isoeugenol phenylacetate is a flavouring ingredient. Flavouring ingredient
Hydroxy-lacosamide
Hydroxy-lacosamide is a metabolite of lacosamide. Lacosamide (formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)
3-(2-(Benzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-phenyl-, ethyl ester
3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione
4-Hydroxyequilenin
bendazac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2,3-Dihydro-6-(3-(2-hydroxymethyl)phenyl-2-propenyl)-benzofuranol
Obovatol
Obovatol is a natural product found in Magnolia garrettii, Magnolia chevalieri, and other organisms with data available. Obovatol is a biphenyl ether lignan isolated from the leaves of Magnolia obovata Thunb[1]. Obovatol is a biphenyl ether lignan isolated from the leaves of Magnolia obovata Thunb[1].
Multiplolide B
A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2H-oxecin-2-one by the epoxidation of the double bond at position 3-4 and cis-dihydroxylation of the double bond at position 7-8, with further acylation of the hydroxy group at position 8 by a but-2-enoyl group. Multiplolide B was first isolated from the fungus Xylaria multiplex BCC 1111. It shows antifungal activity against Candida albicans. The epoxide group has cis-configuration, but its configuration relative to the other substituents was not established.
1-Methyl-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroquinazoline-4-one
2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
3-(3-chloro-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
1-(3-Methylbutanoyl)-(E)-3-Tridecene-5,7,9,11-tetrayne-1,2-diol|1-isovaleryloxy-tridec-3E-en-5,7,9,11-tetrayn-2-ol
1,2-Dihydro-(Z,Z)-1,12-Diisothiocyanato-1,11-dodecadiene
2,3-Dihydroxymethyl-4-(3,4-dimethoxyphenyl)-??-butyrolactone
(6R,12R,14R)-(3E,9E)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione|11-Ketonee-Colletodiol|6R,12R,14R-colletoketol|colletoketol|grahamimycin A|Grahamimycin A1
(2S,3S)-2,3-dihydro-3-hydroxymethyl-2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxymethyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.
Phenol, 2-[3-hydroxy-4-(2-propenyl)phenoxy]-5-(2-propenyl)-
(Z)-2-(4-hydroxyphenyl)ethenyl-alpha-L-rhamnopyranoside
4-<3-Hydroxy-2,2-bis(hydroxymethyl)propyloxy>-5,5-bis(hydroxymethyl)-1,3-dioxan
4-hydroxy-alpha-[4-((E)-1-propenyl)phenoxy]propiophenone
(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-7-(1-methoxyethyl)naphthalen-1(2H)-one|botryosphaerone C
(7S,7S,8R)-8(9)-ene-4,4-dihydroxy-7,7-epoxylignan|ribesin C
6-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,7-dioxabicyclo-[3.3.0]-octane
2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran|Olmecol
(2R,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-3-methyl-5-(2-oxopropyl)benzofuran|miliumollinone
alpha-(3-Chloro-1-propenyl)-6-(2-penten-4-ynyl)-2,5-dioxabicyclo[2,2,1]heptane-3-ethanol
(-)-grahamimycin A1|(R,R)-(-)-Grahamimycin A1|grahamimycin|Grahamimycin A1
(E)-4,5,6,7-tetrahydroxy-2-benzylhept-2-enoic acid|drypearmoracein A
R-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran|S-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran
1,4-Di Me ether,di-Ac-3,6-Dimethyl-1,2,4,5-benzenetetrol
Ac-(all-E)-10-(4-Hydroxyphenyl)-3,5,7,9-decatetraen-2-one
(3R*,4R*)-3,4-dihydro-3,4,8-trihydroxy-3-(2-hydroxypropyl)-6-methoxynaphthalen-1(2H)-one|balticol E
Succinic acid 1-butyl 4-(5-formyl-2-furylmethyl) ester
Di-Me ether,Me ester-1,3-Dihydro-3,7-dihydroxy-5-methoxy-6-methyl-4-isobenzofurancarboxylic acid
2-Me ether-9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde|5-formyl-2-hydroxy-1,8-dimethyl-7-methoxy-9,10-dihydrophenanthrene
Isomaglone
Isomagnolone is a natural product found in Illicium simonsii with data available.
Methyl 4,6-O-benzylidene-α-D-glucopyranoside
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.717 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.718
4-[5-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol
C14H18O6_Heptonic acid, 4,7-anhydro-2-deoxy-7-C-phenyl-, methyl ester
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate
Di(2-methoxyethyl) phthalate
CONFIDENCE standard compound; INTERNAL_ID 397; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7846; ORIGINAL_PRECURSOR_SCAN_NO 7843 CONFIDENCE standard compound; INTERNAL_ID 397; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7826; ORIGINAL_PRECURSOR_SCAN_NO 7822 CONFIDENCE standard compound; INTERNAL_ID 397; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7851; ORIGINAL_PRECURSOR_SCAN_NO 7849
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate_0.5\\%
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate_major
12-Hydroxynevirapine
A dipyridodiazepine that is nevirapine in which one of the hydrogens of the methyl group has been substituted by a hydroxy group. It is a metabolite of the anti-HIV drug, nevirapine.
2-Hydroxynevirapine
8-Hydroxynevirapine
3-Hydroxynevirapine
THR-Tyr
A dipeptide composed of L-threonine and L-tyrosine joined by a peptide linkage.
Uracil,1,3-dimethyl-5,6-bis(N-methylacetamido)- (6CI)
bis(2,3-epoxypropyl) cyclohex-4-ene-1,2-dicarboxylate
(7R,9AR)-TERT-BUTYL7-(AMINOMETHYL)HEXAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-2(6H)-CARBOXYLATE
Trimethylsilyl p-(trimethylsilyloxy)benzoate
TRANS-3,4-DIFLUOROPHENYL 4-PROPYLCYCLOHEXANECARBOXYLATE
4-(4-METHYLPIPERAZIN-1-YL)-3-(METHYLSULFONYL)BENZALDEHYDE
(Z)-(2,4-Difluorophenyl)(piperidin-4-yl)methanone O-acetyl oxime
METHYL 3-(TERT-BUTOXYCARBONYLAMINO)-2-METHOXYISONICOTINATE
tert-butyl 2-chloro-5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylate
2-(PIPERIDIN-1-YLCARBONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE HYDROCHLORIDE
1-[(4-tert-butylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
5-(t-Butyldimethylsilyloxy)-2-methoxyphenylboronic acid
[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]boronic acid
4-Boc-9-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
4-Boc-8-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
4-Boc-7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
3-(Methylsulfonyl)phenylboronic Acid Pinacol Ester
[4-[Bis(2-hydroxyethyl)amino]phenyl]-1,1,2-ethylenetricarbonitrile
4-(4-METHYLPIPERAZIN-1-YL)-2-(METHYLSULFONYL)BENZALDEHYDE
tert-butyl N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate
2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine
TRIMETHYLSILYL TRIMETHYLSILOXY SALICYLATE
Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate
Ethyl 2-((2-((tert-butoxycarbonyl)amino)ethyl)amino)acetate hydrochloride
ETHYL 2-CHLORO-2-[2-(4-TERT-BUTYLPHENYL)HYDRAZONO] ACETATE
a-D-Mannopyranoside, methyl4,6-O-(phenylmethylene)-
1-(IMINO-PIPERIDIN-1-YL-METHYL)-3-PHENYL-UREA HYDROCHLORIDE
4,4,5,5-TETRAMETHYL-2-(4-(METHYLSULFONYL)PHENYL)-1,3,2-DIOXABOROLANE
2-(3-FORMYL-INDOL-1-YL)-N-FURAN-2-YLMETHYL-ACETAMIDE
(2-Methyl sulfonyl penyl)boronic acid pinacol ester
2-(3-CHLORO-5-ETHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Methyl 4-(benzyloxy)pyrazolo[1,5-a]pyridine-3-carboxylate
3-oxo-3-(2,3,4-trimethoxyphenyl)propionic acid ethyl ester
8-Aminoadenosine
8-Aminoadenosine (8-NH2-Ado), a RNA-directed nucleoside analogue, reduces cellular ATP levels and inhibits mRNA synthesis. 8-Aminoadenosine blocks Akt/mTOR signaling and induces autophagy and apoptosis in a p53-independent manner. 8-Aminoadenosine has antitumor activity[1][2][3]. 8-Aminoadenosine (8-NH2-Ado), a RNA-directed nucleoside analogue, reduces cellular ATP levels and inhibits mRNA synthesis. 8-Aminoadenosine blocks Akt/mTOR signaling and induces autophagy and apoptosis in a p53-independent manner. 8-Aminoadenosine has antitumor activity[1][2][3].
2-Propenoic acid, 3-[2-methyl-4-(phenylmethoxy)phenyl]-, methyl ester
5-(4-methoxyphenyl)-5-phenylimidazolidine-2,4-dione
4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
2-(4-Methylpiperazin-1-yl)-4-(methylsulfonyl)benzaldehyde
ETHYL 6,6-DIMETHYL-3-HYDRAZINO-4-OXO-4,5,6,7-TETRAHYDROBENZO(C)THIOPHENE-1-CARBOXYLATE, TECH.
1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone
1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[(4-Methoxyphenyl)Methyl]-
1-ethyl-3-methylimidazol-3-ium,4-methylbenzenesulfonate
5-TERT-BUTYL 2-METHYL 6,7-DIHYDROOXAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE
METHYL 5-(BENZYLOXY)PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE
Methyl alpha-D-ribofuranoside 5-(4-methylbenzoate)
(E)-4-((3-(pyridin-3-yl)acrylaMido)Methyl)benzoic acid
METHYL 5-OXO-2,3,5,6-TETRAHYDRO-1H-INDOLIZINO[6,7-B]INDOLE-11-CARBOXYLATE
methyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
4-(2-Chloro-ethoxy)-phenyl-4,4,5,5-tetramethyl-1,3,2dioxaborolane
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
3-benzyl-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
2-Fluoro-4,5-dimethoxyphenylboronic acid,pinacol ester
2-(2-(2-CHLOROETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
(4-((TERT-BUTYLDIMETHYLSILYL)OXY)-3-METHOXYPHENYL)BORONIC ACID
(2-(((5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)OXY)METHYL)PHENYL)BORONIC ACID
1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
4-(3-Thienylmethyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
N-cyclopropyl-2-piperazin-1-ylpyridine-3-carboxamide,hydrochloride
Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate
Benzenepropanoic acid, b-oxo-a-(phenylmethyl)-, ethyl ester
N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-alanine ethyl ester
1-{2-Oxo-3-[(1r)-1-(1h-Pyrrol-2-Yl)ethyl]-2h-Indol-5-Yl}urea
2,3-Dihydro-6-(3-(2-(hydroxymethyl)phenyl)-2-propen-1-yl)-5-benzofuranol
2,6-Piperazinedione, 4,4-(1,2-dimethyl-1,2-ethanediyl)bis-, rel-
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D004791 - Enzyme Inhibitors
N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide
N-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
Ethyl 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, propyl ester
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, 1-methylethyl ester
1H-Pyrimido[1,2-a]quinoline-2-acetic acid, 1-oxo-, ethyl ester
3-[(4-Cyanobiphenyl-4-Yl)oxy]-N-Hydroxypropanamide
(3AS,4R,9BR)-4-(4-Hydroxyphenyl)-1,2,3,3A,4,9B-hexahydrocyclopenta[C]chromen-9-OL
2-(7-Amino-6-methyl-3H-pyrazolo[4,3-D]pyrimidin-3-YL)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Bendazac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-[5-(4-Hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol
N-[4-oxo-2-(2-pyridinyl)-1,2-dihydroquinazolin-3-yl]acetamide
N-(3,4-dimethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
3-(2-Ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylacetamide
2-(2-Furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide
1-[2-(2,5-Dimethylpyrrol-1-yl)-4-nitrophenyl]imidazole
5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamide
N-(4-ethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
1-(3,4-Dihydroxyphenyl)-2-(2-methyl-1-benzimidazolyl)ethanone
3-[(E)-3-anilino-3-oxoprop-1-enyl]-N-hydroxybenzamide
2-(4-Morpholinyl)-10-pyridazino[6,1-b]quinazolinone
N-cyano-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidamide
(2S,3R,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2S,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3S,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2R,3R,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3S,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
2-[3-[(3,3-Dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl]acetic acid
(2R)-2-amino-5-[2-(3,4-dihydroxyphenyl)ethylamino]-5-oxopentanoic acid
4-[[2-Amino-3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]butanoic acid
3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid
3'-Azido-3'-deoxy-5-methylcytidine
3'-Azido-3'-deoxy-5-methylcytidine (CS-92) is a potent xenotropic murine leukemia-related retrovirus (XMRV) inhibitor with a CC50 of 43.5 μM in MCF-7 cells. 3'-Azido-3'-deoxy-5-methylcytidine also inhibits HIV-1 reverse transcriptase with an EC50 of 0.06 μM in peripheral blood mononuclear (PBM) cells[1]. 3'-Azido-3'-deoxy-5-methylcytidine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Z26395438
Z26395438 (compound 1) is a potent Sirtuin-1 inhibitor, with an IC50 value of 1.6 μM[1].
6-(2-hydroxy-3-methoxy-5-oxofuran-2-yl)-1,3,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-one
4-[(2s,3r)-3-(hydroxymethyl)-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]phenol
5-(3-hydroxyprop-1-en-1-yl)-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol
3-(hydroxymethyl)-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
3-ethoxy-5-hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-3h-2-benzofuran-1-one
5-hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl 2-methylbut-2-enoate
(3s,3ar,4s,5as,6r,9as,9bs)-4,6,9a-trihydroxy-3,5a-dimethyl-9-methylidene-octahydronaphtho[1,2-b]furan-2-one
(1r,6r)-8,9-dihydroxy-9-(hydroxymethyl)-2,2,6-trimethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodec-3-en-5-one
(1's,3r,3's,4r,5s,5's,6's,7's,8's)-4,5-dihydroxy-5',6',7',8'-tetramethyl-2'-oxaspiro[oxolane-3,4'-tricyclo[4.2.1.0³,⁷]nonan]-2-one
7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.0⁴,⁹.0⁴,¹³]pentadec-7-ene-1,12,15-triol
(1r,2s,6r,8s,9r,11r,13s,14s)-8,13-dimethyl-3-methylidene-5,12-dioxatetracyclo[7.5.0.0²,⁶.0¹¹,¹³]tetradecane-2,6,14-triol
(2r,3r,4r,5r,6s)-2-{[(1z)-2-(4-hydroxyphenyl)ethenyl]oxy}-6-methyloxane-3,4,5-triol
3,11-dihydroxy-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0⁴,⁶]tridec-8-en-7-one
(1's,2s,3's,6'r,7'r,9'r)-6'-hydroxy-3-methoxy-3',7',9'-trimethyl-5',8'-dioxaspiro[furan-2,4'-tricyclo[4.2.1.0³,⁷]nonan]-5-one
10-hydroperoxy-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-8-ene-8-carbaldehyde
(1s,2r,4s,5r,8s,9r,12s,13r)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.0⁴,¹³.0⁸,¹³]pentadecan-10-one
2-(8-formyl-8,8a-dihydroxy-4a-methyl-hexahydro-1h-naphthalen-2-yl)prop-2-enoic acid
(1s,2s,5r,7r,8s,9s,12s)-8-hydroxy-5-(hydroxymethyl)-12-[(2r)-1-hydroxypropan-2-yl]-10-oxatetracyclo[7.2.1.0²,⁷.0⁵,⁷]dodecan-11-one
(1r,3s,5r,6s,8r,10r,12s,15s)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadecan-14-one
(3s)-3-(hydroxymethyl)-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
(3r,3as,7r,9s,11as)-7-hydroperoxy-9-hydroxy-3,10-dimethyl-6-methylidene-3h,3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
(4as,5s,7as,8s,9as)-5,8,9a-trihydroxy-3,5,8-trimethyl-4h,4ah,6h,7h,7ah,9h-azuleno[6,5-b]furan-2-one
(5r,8r,8as)-5-hydroperoxy-8-[(2s)-1-hydroxypropan-2-yl]-5-methyl-6,7,8,8a-tetrahydro-3h-naphthalene-2-carboxylic acid
methyl 4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxybutanoate
[(3as,4r,10r,10as)-10-hydroxy-2,6-diimino-octahydropyrrolo[1,2-c]purin-4-yl]methyl acetate
1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propane-1,2-diol
(6r)-6-hydroxy-3,5-dimethoxy-2,6-dimethyl-4-[(2r)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
(3ar,4s,5r,8s,8br)-5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol
4,8-dihydroxy-6-(hydroxymethyl)-6,8-dimethyl-3h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-1-one
4-[5-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-yl]phenol
(1s,4s,5s,8r,9r,11r)-5-hydroxy-4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.0¹,⁵.0⁹,¹¹]tridecan-3-one
(1s,4s,5s,8s,9s,11r)-5,8-dihydroxy-4,8,12,12-tetramethyl-2,10-dioxatetracyclo[7.4.0.0¹,⁵.0⁹,¹¹]tridecan-3-one
(1'r,3'r,4'r,6's)-1',3',4',6'-tetrahydroxy-2',2',4',6'-tetramethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one
4-[(2s,3r)-3-(hydroxymethyl)-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]phenol
(1s,3s,5r,6s,8s,9e,11s,14s)-6,8-dihydroxy-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-9-en-13-one
(1r,3r,5r,6s,8r,10r,12s,15s)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadecan-14-one
2-(4-hydroxyphenyl)ethyl (3e)-4-phenylbut-3-enoate
1,9-dihydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
(1s,4r,6r,7r,8e,10s)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl (2e)-but-2-enoate
(1r,4r,6r,11r)-11-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-7,9,10-trioxatricyclo[4.3.3.0¹,⁶]dodecan-3-one
(3ar,6s,7r,7as)-6,7-dihydroxy-6-methyl-2-(3-methylbutanoyl)-4,5,7,7a-tetrahydro-3ah-1-benzofuran-3-carbaldehyde
1-(3,7-dihydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)ethanone
{"Ingredient_id": "HBIN001107","Ingredient_name": "1-(3,7-dihydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)ethanone","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "NA","Ingredient_weight": "282.33","OB_score": "44.72290442","CAS_id": "77305-81-8","SymMap_id": "SMIT09265","TCMID_id": "NA","TCMSP_id": "MOL007912","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1α,2β,4β-trihydroxypseudoguaian-6β,12-olide
{"Ingredient_id": "HBIN002275","Ingredient_name": "1\u03b1,2\u03b2,4\u03b2-trihydroxypseudoguaian-6\u03b2,12-olide","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C3(C1(C(CC3O)O)O)C)OC(=O)C2=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydroxymethyl-4-(3',4'-dimethoxyphenyl)-γ-butyrolactone
{"Ingredient_id": "HBIN004053","Ingredient_name": "2,3-dihydroxymethyl-4-(3',4'-dimethoxyphenyl)-\u03b3-butyrolactone","Alias": "NA","Ingredient_formula": "C14H18O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15124","TCMID_id": "6028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dehydrolarreatricin
{"Ingredient_id": "HBIN007330","Ingredient_name": "3,4-dehydrolarreatricin","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "CC1=C(C(OC1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C","Ingredient_weight": "282.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4939","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "25775479","DrugBank_id": "NA"}
3'-hydroxy-4'-methoxy-4'-dehydroxynyasol
{"Ingredient_id": "HBIN008660","Ingredient_name": "3'-hydroxy-4'-methoxy-4'-dehydroxynyasol","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "COC1=C(C=C(C=C1)C(C=C)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "282.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10395","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21575014","DrugBank_id": "NA"}
3'-methoxynyasin
{"Ingredient_id": "HBIN008841","Ingredient_name": "3'-methoxynyasin","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C=C)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3''-methoxynyasol
{"Ingredient_id": "HBIN008842","Ingredient_name": "3''-methoxynyasol","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C=C)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s*,6r*)-4,7-epoxy-6-deoxypseudoanisatin
{"Ingredient_id": "HBIN009682","Ingredient_name": "(3s*,6r*)-4,7-epoxy-6-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CC(C23C14CC(=O)OCC2(C(C(C4)(O3)O)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7067","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7H-purin-3-ium-6-amine
{"Ingredient_id": "HBIN013196","Ingredient_name": "7H-purin-3-ium-6-amine","Alias": "7H-purin-3-ium-6-ylamine; 7224-92-2","Ingredient_formula": "C17H18N2O2","Ingredient_Smile": "C1=NC2=C(N1)C(=NC=[NH+]2)N","Ingredient_weight": "282.34","OB_score": "34.78964523","CAS_id": "7224-92-2","SymMap_id": "SMIT09183","TCMID_id": "NA","TCMSP_id": "MOL007817","TCM_ID_id": "NA","PubChem_id": "5231965","DrugBank_id": "NA"}
9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde
{"Ingredient_id": "HBIN013939","Ingredient_name": "9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde","Alias": "NA","Ingredient_formula": "C18H18O3","Ingredient_Smile": "NA","Ingredient_weight": "282.33","OB_score": "NA","CAS_id": "147850-87-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7303","PubChem_id": "NA","DrugBank_id": "NA"}
alpinolide peroxide
{"Ingredient_id": "HBIN015755","Ingredient_name": "alpinolide peroxide","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "NA","Ingredient_weight": "282.33","OB_score": "87.66777816","CAS_id": "103425-26-9","SymMap_id": "SMIT02886","TCMID_id": "NA","TCMSP_id": "MOL000243","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arteannuin g
{"Ingredient_id": "HBIN016935","Ingredient_name": "arteannuin g","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C(=O)OC(C23C1CCO3)OC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1786","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
artemisinin g
{"Ingredient_id": "HBIN016962","Ingredient_name": "artemisinin g","Alias": "NA","Ingredient_formula": "C15H22O5","Ingredient_Smile": "CC1CCC2C(C(=O)OC(C23C1CCO3)OC(=O)C)C","Ingredient_weight": "282.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT02238","TCMID_id": "24677","TCMSP_id": "NA","TCM_ID_id": "6608","PubChem_id": "641668","DrugBank_id": "NA"}
