Exact Mass: 282.129
Exact Mass Matches: 282.129
Found 500 metabolites which its exact mass value is equals to given mass value 282.129
,
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.
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
4-Hydroxyequilenin
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].
1-Methyl-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroquinazoline-4-one
Decipienin H
2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
4-ethyl-1-hydroxy-4,8,8,10,10-pentamethyl-7,9-dioxo-2,3-dioxabicyclo[4.4.0]decene-5
[1S-[1alpha(E),5beta,6beta]]-5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Decipienin E
(4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
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
(4aRS,5SR,8RS,8aRS,9aSR)-4a,5,6,7,8,8a,9,9a-octahydro-5,8-dihydroxy-8a-(hydroxymethyl)-3,5-dimethylnaphtho[2,3-b]furan-2(4H)-one|1beta,4beta,14-trihydroxyeudesm-7(11)-en-12,8alpha-olide|serralactone B
2beta-hydroxy-3,6-dedioxypseudoanisatin|2??-Hydroxy-3,6-dedioxypseudoanisatin
3-deoxy-11alpha,13-dihydroxy-11,13-dihydroamphoricarpolide
2,3-didehydro-5-O-methyl-11-epiillifunone E|rel-(2R,3aR,7aR)-3,3a,7,7a-tetrahydro-3a-hydroxy-2-(1-hydroxy-1-methylethyl)-7a-methoxy-5-(prop-2-enyl)benzofuran-6(2H)-one
(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.
3beta,7alpha,14-trihydroxy-Delta8,9-drimen-11,12-olide
1beta-hydroperoxy-3beta-hydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide
1-Hydroxy-5,6-seco-4(15),10(14)-germacradien-5,2-olid-6-oic acid
Phenol, 2-[3-hydroxy-4-(2-propenyl)phenoxy]-5-(2-propenyl)-
(3S,4R,5S,2S,3R)-4,5-dihydroxy-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2,5]octan-6-one|5-Demethylovalicin|demethyl ovalicin|USF-3506A
1beta, 4alpha, 6alpha-trihydroxyeudesm-11-en-8alpha-12-olide|1beta,4alpha,6alpha-trihydroxy-eudesm-11-en-8alpha-olide|1beta,4alpha,6alpha-trihydroxyeudesm-11-en-8alpha,12-olide
4-<3-Hydroxy-2,2-bis(hydroxymethyl)propyloxy>-5,5-bis(hydroxymethyl)-1,3-dioxan
1,10-Epoxy-8,9-dihydroxy-4-germacren-12,6alpha-olide
4alpha,8beta,9alpha-trihydroxy-5alphaH-7(11)-eudesmen-12,8alpha-olide
(10R)-2alpha,10,13,15-tetrahydroxy-lactara-6-en-5-oic acid gamma-lactone|subvellerolactone B
(+-)-(1Xi,2Xi,4aXi)-2-Methoxy-(4ar,8at)-octahydro-1H-spiro[cyclopropan-1,2-naphthalin]-2r,3c-dicarbonsaeure|(+-)-(1Xi,2Xi,4aXi)-2-methoxy-(4ar,8at)-octahydro-1H-spiro[cyclopropane-1,2-naphthalene]-2r,3c-dicarboxylic acid
fascicularone K|rel-(2aR,2bR,4R,5R,6S,6aR,7R,7aR)-decahydro-4,6a-dihydroxy-2b-(hydroxymethyl)-1,1,6-trimethyl-5,7-epoxy-3H-cyclobut[a]inden-3-one
(1alpha,3alpha,4beta,5alpha,6alpha,10beta)-3,4,10-Trihydroxy-11(13)-guaien-12,6-olide|(1R,3R,4R,5S,6S,7S,10S)-3,4,10-trihydroxyguai-11(13)-en-6,12-olide
1beta,4alpha,8-trihydroxy-7(11)-eneudesm-8,12-olide|chloraeudolide
8beta-1-Hydroxy-5,10-dioxo-1,10:5,10-diseco-11(13)-eudesmen-12,8-olide
4-hydroxy-alpha-[4-((E)-1-propenyl)phenoxy]propiophenone
(1R,4R,5S,5aR,6aR,8aS,9S)-octahydro-5-hydroxy-6a-hydroxymethyl-9-(2-hydroxy-1-methylethyl)-1,4-methano-2H-cyclopropan[1,5]cyclopent[1,2-d]oxepin-2-one|dendronobilin F
(1beta,5alpha,7beta,8beta,11beta)-5-hydroperoxy-1- hydroxyeudesm-4(15)-eno-12,8-lactone|rel-(3R,3aS,4aS,8S,8aR,9aS)-decahydro-4a-hydroperoxy-8-hydroxy-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one
1beta,3beta,15-trihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide D
(7S,7S,8R)-8(9)-ene-4,4-dihydroxy-7,7-epoxylignan|ribesin C
6beta,8beta,9beta-trihydroxyeremophil-7(11)-en-(12,8alpha)-olide
2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran|Olmecol
1,7alpha,10alpha-trihydroxyeremophil-11(13)-en-12,8-olide
1,10alpha,13-trihydroxyeremophil-7(11)-en-12,8-olide
(2R,3R)-2,3-dihydro-2-(4-hydroxyphenyl)-3-methyl-5-(2-oxopropyl)benzofuran|miliumollinone
4beta,5beta-dihydroxy-15-oxo-eudesm-11(13)-en-12-oic acid
(1beta,4alpha,6alpha,8beta)-1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide|1beta,4alpha,8beta-trihydroxy-eudesm-11(13)-en-12,6alpha-olide|1beta,8beta-dihydroxyarbusculin A
(3R,4S,5R,6R,8R,10S)-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide
(3alpha,6alpha,7alpha,11()-6,7-Epoxy-3,11,12-trihydroxy-9-eremophilen-8-one|(3alpha,6alpha,7alpha,11xi)-6,7-Epoxy-3,11,12-trihydroxy-9-eremophilen-8-one|11-Hydroxyphomenone
11beta,13-dihydro-8alpha-hydroxy-4-epi-sonchucarpolide|8alpha-hydroxy-11beta,13-dihydro-4-episonchucaprolide
1,5-endoperoxy-2-hydroperoxycarot-3-ene-4-carbaldehyd|1,5-epidioxy-2-hydroperoxycarot-3-en-14-al
1alpha,2beta,4beta-trihydroxy-pseudoguaian-6beta,12-olide|1??,2??,4??-Trihydroxypseudoguaian-6??,12-olide
(1S,2S,3S,4S,1R,3R,5R,7R)-2,3-epoxy-7-hydroxymethyl-3,4-dimethylspiro[cyclohexane-1,2-[8,9]dioxatricyclo[3.3.1.03,7]nonan]-4-ol|spirotenuipesine B
R-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran|S-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran
(3alpha,6?鈥?-3,6,12,13-Tetrahydroxy-7(11),9-eremophiladien-8-one
Ac-(all-E)-10-(4-Hydroxyphenyl)-3,5,7,9-decatetraen-2-one
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
fascicularone I|rel-(2aR,2bS,3R,4R,5S,5aR,6R,6aR)-decahydro-3,4,5a-trihydroxy-1,1,2b,5-tetramethyl-6,3-(epoxymethano)cyclobuta[a]pentalen-8-one
(3ξ,4ξ,5ξ,6ξ,7ξ,11ξ)-3,6-Dihydroxy-8-oxo-9-eremophilene-12-oic acid
Isomaglone
Isomagnolone is a natural product found in Illicium simonsii with data available.
4-[5-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol
4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, 3,4,5,6,6a,9-hexahydro-4-hydroxy-7-(1-hydroxy-1-methylethyl)
C15H22O5_2H-Cyclohepta[b]furan-7-propanoic acid, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-2-oxo-, (3aS,6S,8aR)
C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(2-hydroxy-1-methylethylidene)-, (7E)
C15H22O5_3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (5aS,6R,8aS,9R,12S,12aR)
4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
5,9-dihydroxy-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
1,5,9-trihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,⁵]dodecane-8-carboxylic acid
4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid
Octyl gallate
CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5149; ORIGINAL_PRECURSOR_SCAN_NO 5147 D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5225; ORIGINAL_PRECURSOR_SCAN_NO 5224 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5194; ORIGINAL_PRECURSOR_SCAN_NO 5193 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5226; ORIGINAL_PRECURSOR_SCAN_NO 5225 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5221; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 593; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5223; ORIGINAL_PRECURSOR_SCAN_NO 5222 Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3]. Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3].
(1S,5R,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-one_major
4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid_major
4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid_major
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,⁵]dodecane-8-carboxylic acid_major
(1S,5R,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-one_13.1\\%
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,⁵]dodecane-8-carboxylic acid_53.2\\%
(1S,5R,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0?,¹³.0?,¹³]hexadecan-10-one
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,?]dodecane-8-carboxylic acid
epi-dihydrophaseic acid
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.
Progallin O
D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3]. Octyl gallate (Progallin O) is widely used as a food additive, with antimicrobial and antioxidant activity[1][2]. Octyl gallate (Progallin O) shows selective and sensitive fluorescent property[2]. Octyl gallate shows a marked antiviral effect against HSV-1, vesicular stomatitis virus (VSV) and poliovirus[3].
Artabsinolide D
Tipropidil
Epidihydrophaseic acid
Oxyhumulinic acid
Pisumic acid
4,8-Dihydroxy-6-(hydroxymethyl)-6,8-dimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-1(3H)-one
Uracil,1,3-dimethyl-5,6-bis(N-methylacetamido)- (6CI)
TRANS-3,4-DIFLUOROPHENYL 4-PROPYLCYCLOHEXANECARBOXYLATE
(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
[4-[Bis(2-hydroxyethyl)amino]phenyl]-1,1,2-ethylenetricarbonitrile
diethyl 2-ethyl-4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylate
tert-butyl N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate
2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine
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
1-(IMINO-PIPERIDIN-1-YL-METHYL)-3-PHENYL-UREA HYDROCHLORIDE
2-(3-CHLORO-5-ETHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-Propenoic acid, 3-[2-methyl-4-(phenylmethoxy)phenyl]-, methyl ester
4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
5-TERT-BUTYL 2-METHYL 6,7-DIHYDROOXAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE
1-(6-HYDROXY-2,4-DIISOPROPOXY-3-METHOXYPHENYL)ETHANONE
4-(2-Chloro-ethoxy)-phenyl-4,4,5,5-tetramethyl-1,3,2dioxaborolane
3-benzyl-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
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
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-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
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
(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
4-[5-(4-Hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol
(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)-
N-[4-oxo-2-(2-pyridinyl)-1,2-dihydroquinazolin-3-yl]acetamide
3-(2-Ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
1-[2-(2,5-Dimethylpyrrol-1-yl)-4-nitrophenyl]imidazole
Merulin C, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
8-Hydroxy-4-(2-hydroxypropan-2-yl)-10-oxatricyclo[7.2.1.01,5]dodec-3-ene-8-carboxylic acid
5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide
2-(4-Morpholinyl)-10-pyridazino[6,1-b]quinazolinone
(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
(1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
(1R,4S,5R,8R,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
(2R)-2-amino-5-[2-(3,4-dihydroxyphenyl)ethylamino]-5-oxopentanoic acid
4-[[2-Amino-3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]butanoic acid
3,5-Dimethoxy-4,6-dimethyl-(6S)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3,5-Dimethoxy-2,6-dimethyl-(6R)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3-(Ethoxycarbonyl)-6-isopropylhexahydro-2H-cyclohepta[b]furan-2,8(8aH)-dione
Scirpentriol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid
Z26395438
Z26395438 (compound 1) is a potent Sirtuin-1 inhibitor, with an IC50 value of 1.6 μM[1].
(1r,5r,6r,8r,10s,13r,14r)-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradec-2-ene-8,13,14-triol
5-acetyl-3,5-dimethoxy-2-methyl-4-(2-methylbutanoyl)cyclopent-2-en-1-one
11-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-7,9,10-trioxatricyclo[4.3.3.0¹,⁶]dodecan-3-one
4-[(2s,3r)-3-(hydroxymethyl)-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]phenol
5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol
3-hydroxy-7-(hydroxymethyl)-4-(3-hydroxypropanoyl)-3-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2-one
(2s,3e,6r)-6-hydroxy-2-(hydroxymethyl)-6-[(1r)-4-methyl-5-oxocyclohex-3-en-1-yl]hept-3-enoic acid
1,9-dihydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-3-ene-2,8-dione
2,6-dimethoxy-4-(5-methoxy-3,4-dimethyloxolan-2-yl)phenol
(1s,2s,4r,8r,9r,11r)-1,9-dihydroxy-2,11-dimethyl-7-methylidene-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-6-one
5-(3-hydroxyprop-1-en-1-yl)-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol
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
3,11-dihydroxy-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0⁴,⁶]tridec-8-en-7-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
(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
[(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
(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"}
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"}