Exact Mass: 386.0928882
Exact Mass Matches: 386.0928882
Found 500 metabolites which its exact mass value is equals to given mass value 386.0928882,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Irisfloretin
Irisflorentin is a member of 4-methoxyisoflavones. Irisflorentin is a natural product found in Iris tectorum, Iris leptophylla, and other organisms with data available. Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1]. Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1].
Pteryxin
Pteryxin is a member of coumarins. Pteryxin is a natural product found in Musineon divaricatum, Pteryxia terebinthina, and other organisms with data available. Origin: Plant, Coumarins Pteryxin, a coumarin in Peucedanum japonicum Thunb leaves, exerts antiobesity activity[1]. Pteryxin is a potent butyrylcholinesterase (BChE) inhibitor, with an IC50 of 12.96 μg/ml[2]. Pteryxin, a coumarin in Peucedanum japonicum Thunb leaves, exerts antiobesity activity[1]. Pteryxin is a potent butyrylcholinesterase (BChE) inhibitor, with an IC50 of 12.96 μg/ml[2].
CleomiscosinA
Cleomiscosin A is an organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent. It is a delta-lactone, an aromatic ether, an organic heterotricyclic compound, a member of phenols and a primary alcohol. Cleomiscosin A is a natural product found in Hibiscus syriacus, Artemisia minor, and other organisms with data available. An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity. Cleomiscosin A is a coumarino-lignoid from branch of Macaranga adenantha. Cleomiscosin A is active against TNF-alpha secretion of the mouse peritoneal macrophages[1][2]. Cleomiscosin A is a coumarino-lignoid from branch of Macaranga adenantha. Cleomiscosin A is active against TNF-alpha secretion of the mouse peritoneal macrophages[1][2].
1-O-Sinapoyl-beta-D-glucose
1-o-sinapoyl-beta-d-glucose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-sinapoyl-beta-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-sinapoyl-beta-d-glucose can be found in a number of food items such as white cabbage, corn, common pea, and cabbage, which makes 1-o-sinapoyl-beta-d-glucose a potential biomarker for the consumption of these food products. Acquisition and generation of the data is financially supported in part by CREST/JST.
Sinapic acid-O-glucoside
5-5'-Dehydrodiferulic acid
5-5-dehydrodiferulic acid, also known as 8-O-4-diferulic acid, belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. 5-5-dehydrodiferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5-5-dehydrodiferulic acid can be found in a number of food items such as corn, common wheat, semolina, and hard wheat, which makes 5-5-dehydrodiferulic acid a potential biomarker for the consumption of these food products.
O-Feruloylgalactarate
2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
7-Glutarylaminocephalosporanate
C15H18N2O8S (386.07838280000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(S)-5-oxoaverantin
A hydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxy-5-oxohexyl substituent at position 2 (the S-enantiomer).
versicolorone tricyclic form
The tricyclic anthraquinone form of versicolorone.
1-O-Sinapoylglucose
Present in rhubarb (Rheum rhaponticum) and cabbage (Brassica oleracea). 1-O-Sinapoylglucose is found in brussel sprouts, brassicas, and green vegetables. 1-O-Sinapoylglucose is found in brassicas. 1-O-Sinapoylglucose is present in rhubarb (Rheum rhaponticum) and cabbage (Brassica oleracea).
Edultin
Edultin is found in green vegetables. Edultin is a constituent of Angelica edulis
(7'R*,8'S*)-Methyl 4,7'-epoxy-3,8'-bilign-7-ene-4',9'-dihydroxy-3',5-dimethoxy-9-oate
(7R*,8S*)-Methyl 4,7-epoxy-3,8-bilign-7-ene-4,9-dihydroxy-3,5-dimethoxy-9-oate is found in fruits. (7R*,8S*)-Methyl 4,7-epoxy-3,8-bilign-7-ene-4,9-dihydroxy-3,5-dimethoxy-9-oate is a constituent of Zizyphus jujuba (Chinese date) Constituent of Zizyphus jujuba (Chinese date). (7R*,8S*)-Methyl 4,7-epoxy-3,8-bilign-7-ene-4,9-dihydroxy-3,5-dimethoxy-9-oate is found in fruits.
Shoyuflavone A
Shoyuflavone A is found in herbs and spices. Shoyuflavone A is isolated from fermented soy sauce. Shoyuflavone A is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone A is found in herbs and spices.
7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione
7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione is found in beverages. 7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione is a constituent of Curcuma xanthorrhiza (Java turmeric). Constituent of Curcuma xanthorrhiza (Java turmeric). 7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione is found in herbs and spices, beverages, and root vegetables.
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
8-8'-Dehydrodiferulic acid
8-8-Dehydrodiferulic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313)
(R)-Heraclenol 2'-(3-methyl-2-butenoate)
(R)-Heraclenol 2-(3-methyl-2-butenoate) is found in fats and oils. (R)-Heraclenol 2-(3-methyl-2-butenoate) is a constituent of Angelica archangelica (angelica). Constituent of Angelica archangelica (angelica). (R)-Heraclenol 2-(3-methyl-2-butenoate) is found in fats and oils, herbs and spices, and green vegetables.
Dehydrodiferulic dilactone
Dehydrodiferulic dilactone is found in cereals and cereal products. Dehydrodiferulic dilactone is a constituent of the cell walls of wheat and barley. Constituent of the cell walls of wheat and barley. Dehydrodiferulic dilactone is found in cereals and cereal products.
3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid
3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid is found in cereals and cereal products. 3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid is isolated by saponification from wheat bran, cocksfoot, switch grass and cultured corn cells. Antioxidant. Isol. by saponification from wheat bran, cocksfoot, switch grass and cultured corn cells. Antioxidant. (7R*,8S*)-4,7-Epoxy-3,8-bilign-7-ene-4-hydroxy-3,5-dimethoxy-9,9-dioic acid is found in cereals and cereal products.
Lithol Rubine
C18H14N2O6S (386.05725440000003)
Lithol Rubine is a food dye.
3,4-Dihydroxyphenylvaleric acid 3 glucuronide
3,4-Dihydroxyphenylvaleric acid 4 glucuronide
3,5-Dihydroxyphenylvaleric acid glucuronide
(+)-Praeruptorin A
N-Methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide
Methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
C20H22N2O4S (386.13002120000004)
Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-
Fosfluconazole
C13H13F2N6O4P (386.07039320000007)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C254 - Anti-Infective Agent > C514 - Antifungal Agent
Zinquin
C19H18N2O5S (386.09363780000007)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D064449 - Sequestering Agents > D002614 - Chelating Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
5-8'-Dehydrodiferulic acid
5-8-dehydrodiferulic acid is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 5-8-dehydrodiferulic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-8-dehydrodiferulic acid can be found in a number of food items such as corn, common wheat, rye, and semolina, which makes 5-8-dehydrodiferulic acid a potential biomarker for the consumption of these food products. 8,5-Diferulic acid is a non cyclic type of diferulic acid. It is the predominant diferulic acid in sugar beet pulp. It is also found in barley, in maize bran and rye. 8-5-Diferulic acid has also been identified to be covalently linked to carbohydrate moieties of the arabinogalactan-protein fraction of gum arabic .
8-4'-Dehydrodiferulic acid
8-4-dehydrodiferulic acid belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 8-4-dehydrodiferulic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 8-4-dehydrodiferulic acid can be found in a number of food items such as corn, semolina, common wheat, and hard wheat, which makes 8-4-dehydrodiferulic acid a potential biomarker for the consumption of these food products.
5-8'-Benzofuran dehydrodiferulic acid
5-8-benzofuran dehydrodiferulic acid is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. 5-8-benzofuran dehydrodiferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5-8-benzofuran dehydrodiferulic acid can be found in a number of food items such as hard wheat, common wheat, corn, and rye, which makes 5-8-benzofuran dehydrodiferulic acid a potential biomarker for the consumption of these food products.
2-trans-O-Feruloylglucaric acid
2-trans-o-feruloylglucaric acid belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. 2-trans-o-feruloylglucaric acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-trans-o-feruloylglucaric acid can be found in sweet orange, which makes 2-trans-o-feruloylglucaric acid a potential biomarker for the consumption of this food product.
4'-O-Glucopyranosylsinapic acid
4-o-glucopyranosylsinapic acid is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 4-o-glucopyranosylsinapic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-glucopyranosylsinapic acid can be found in a number of food items such as green bell pepper, red bell pepper, italian sweet red pepper, and yellow bell pepper, which makes 4-o-glucopyranosylsinapic acid a potential biomarker for the consumption of these food products.
buddlenol C
Moluccanin
Moluccanin is a coumarinolignoid from Aleurites moluccana[1].
Praeruptorin A
(+)-Praeruptorin A is a natural product found in Ligusticum lucidum, Peucedanum japonicum, and Prionosciadium thapsoides with data available. (±)-Praeruptorin A is the di-esterified product of cis-khellactone (CKL) and the major active ingredient in Peucedani Radix which consists of the dried roots of Peucedanum praeruptorumDunn (Apiaceae). (±)-Praeruptorin A has been widely employed as one of the famous traditional Chinese medicines (TCMs) for the treatment of cough with thick sputum and dyspnea, nonproductive cough and upper respiratory infections for centuries in China. (±)-Praeruptorin A has dramatically therapeutic effects on hypertension mainly through acting as a Ca2+-influx blocker[1]. (±)-Praeruptorin A is the di-esterified product of cis-khellactone (CKL) and the major active ingredient in Peucedani Radix which consists of the dried roots of Peucedanum praeruptorumDunn (Apiaceae). (±)-Praeruptorin A has been widely employed as one of the famous traditional Chinese medicines (TCMs) for the treatment of cough with thick sputum and dyspnea, nonproductive cough and upper respiratory infections for centuries in China. (±)-Praeruptorin A has dramatically therapeutic effects on hypertension mainly through acting as a Ca2+-influx blocker[1]. Praeruptorin A is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin A exerts anti-inflammatory effects in vitro through inhibition of NF-κB activation[1]. Praeruptorin A is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin A exerts anti-inflammatory effects in vitro through inhibition of NF-κB activation[1].
Praeruptorin
(+)-Praeruptorin A is a natural product found in Ligusticum lucidum, Peucedanum japonicum, and Prionosciadium thapsoides with data available. (±)-Praeruptorin A is the di-esterified product of cis-khellactone (CKL) and the major active ingredient in Peucedani Radix which consists of the dried roots of Peucedanum praeruptorumDunn (Apiaceae). (±)-Praeruptorin A has been widely employed as one of the famous traditional Chinese medicines (TCMs) for the treatment of cough with thick sputum and dyspnea, nonproductive cough and upper respiratory infections for centuries in China. (±)-Praeruptorin A has dramatically therapeutic effects on hypertension mainly through acting as a Ca2+-influx blocker[1]. (±)-Praeruptorin A is the di-esterified product of cis-khellactone (CKL) and the major active ingredient in Peucedani Radix which consists of the dried roots of Peucedanum praeruptorumDunn (Apiaceae). (±)-Praeruptorin A has been widely employed as one of the famous traditional Chinese medicines (TCMs) for the treatment of cough with thick sputum and dyspnea, nonproductive cough and upper respiratory infections for centuries in China. (±)-Praeruptorin A has dramatically therapeutic effects on hypertension mainly through acting as a Ca2+-influx blocker[1]. Praeruptorin A is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin A exerts anti-inflammatory effects in vitro through inhibition of NF-κB activation[1]. Praeruptorin A is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin A exerts anti-inflammatory effects in vitro through inhibition of NF-κB activation[1].
Cleomiscosin B
Cleomiscosin B is a natural product found in Diatenopteryx sorbifolia, Erycibe obtusifolia, and other organisms with data available.
(3S)-3,7,2,3-Tetrahydroxy-4-methoxy-5-prenylisoflavanone
Secundifloran
(3R)-5,7,2,3-Tetrahydroxy-4-methoxy-5-prenylisoflavanone
8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
(-)-(3S,4R,6S)-3-(3,4-Methylenedioxy-alpha-hydroxybenzyl)-4-(3,4-dimethoxybenzyl)butyrolactone
Topazolin hydrate
Irisflorentin
Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1]. Irisflorentin, a naturally occurring isoflavone, is an abundant active constituent in Belamcanda chinensis. Irisflorentin markedly reduces the transcriptional and translational levels of inducible nitric oxide synthase (iNOS) as well as the production of NO. Anti-inflammatory activity[1].
5,6,7,8-Tetramethoxy-3,4-methylenedioxyisoflavone
A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5, 6, 7 and 8 and methylenedioxy group across positions 3 and 4.
4-(Methylthio)-2-phenyl-6-[4-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile
C19H13F3N4S (386.08129740000004)
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate
(2S)-8-(3-methyl-4-hydroxy-but-2-enyl)-5,3,4-trihydroxy-7-methoxy-flavanone
(1RS,2RS,3SR,4RS)-Penta-Ac-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol
methyl <(6,7-dichloro-2-(trans-3-hydroxycyclopentyl)-2-methyl-1-oxo-5-indanyl)oxy>acetate|methyl {[6,7-dichloro-2-(trans-3-hydroxycyclopentyl)-2-methyl-1-oxo-5-indanyl]oxy}acetate
3-(2,4,7-trioxo-8-pentitol-1-yl-1,2,3,4,7,8-hexahydro-pteridin-6-yl)-propionic acid|Putidolumazin, 6-(2-Carboxy-aethyl)-8-ribityl-1H,3H,8H-pteridin-2,4,7-trion
cis-3,6-dibenzyl-3,6-bis(methylthio)piperazine-2,5-dione|Emethacin B
2-(3,4-Dimethoxy-phenyl)-3,5,7-trimethoxy-6-methyl-chromen-4-on|2-(3,4-dimethoxy-phenyl)-3,5,7-trimethoxy-6-methyl-chromen-4-one
2,4-dihydroxy-6,7-methylenedioxy-2,3-dimethyl-4-veratryl-tetralin-1-one
5,5-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[1,3-benzodioxol-4-ol]|sesamin-2,2-diol
1-Hydroxy-3,6,7,8-tetramethoxy-2-isopropyl-9,10-anthraquinone
conicaol B|trans-2-(4-hydroxy-3-methoxybenzoyl)-3-(3,4-dimethoxybenzyl)butyrolactone
(7E)-4,5-dihydroxy-3,3,4-trimethoxylign-7-en-9,9-olide
(7E,7E)-8,5-diferullic acid|(E, E)-form-alpha, 5-Biferulic acid|(E,E)-4,4-dihydroxy-3,5-dimethoxy-beta,3-bicinnamic acid
7-methoxy-5,6,8-trihydroxycoumarin-5-beta-glucopyranoside
3,6-Bis(benzo[d][1,3]dioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diol
6-isopentenyl-3-O-methyltaxifolin|6-isopentenyl-3-O-methyltaxifoline
(8R,7R,8R)-7,8-Dihydroxy-3,4-dimethoxy-3,4-methylenedioxy-7-oxo-6.7,8.8-neolignan
2(S)-5,7-dihydroxy-5-methoxy-[2,2-(3-hydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
8-(1-acetoxy-1-methyl-ethyl)-9-(3-methyl-but-2-enoyloxy)-8,9-dihydro-furo[2,3-h]chromen-2-one|Isopeuceridin|Peucenidin
2-Acetoxy-3,7,8-trimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
O-Glucoside-(S)-3-Hydroxykynurenine
C16H22N2O9 (386.13252420000003)
CT2108A
An azaphilone that is 7,8-dihydro-6H-oxireno[j]isochromene substituted by a hepta-1,3,5-trien-1-yl group at position 3, a [3-hydroxybutanoyl]oxy group at position 7, a methyl group at position 7 and oxo groups at positions 6 and 8 respectively (the 3S,7S stereoisomer). A fungal metabolite, it is isolated from the fermentation broth of Penicillium solitum strain CT2108 and exhibits inhibitory activity against fatty acid synthase as well as fungicidal activity.
comazaphilone D
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy and methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 6.Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities.
6-(1-O-alpha-L-rhamanopyranosyl)-phenazine-1-carboxylic acid|izuminoside A
5,7-dihydroxy-4-methoxy-2-(2-hydroxyisopropyl)dihydrofurano[4,5:3,2]isoflavanone|platyisoflavanone C
(7S,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(1E)-prop-1-en-1-yl]-6,7,8,8a-tetrahydro-1H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate|pinophilin A
phrymarolin V|rel-(1R,3aR,4S,6aS)-1-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-yloxy)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-ol
Dodoviscin I
dodoviscin I is a natural product found in Dodonaea viscosa with data available.
5-Hydroxy-3,8-dimethoxy-4,5:6,7-bis(methylenedioxy)flavone
(7S,8R,7R,8R)-7-(3,4-methylenedioxyphenyl)-8,8-dimethyl-8-hydroxyl-7-methoxyl-7-(3,4-methylenedioxyphenyl)tetrahydrofuran
1,3-Benzodioxole-5-carboxylic acid-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl ester
O-(beta-D-glucopyranosyluronic acid)-(1<*>6)-D-glycero-L-manno-heptose|O-(beta-D-glucopyranosyluronic acid)-(1[*]6)-D-glycero-L-manno-heptose
5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
7H-6,11:8,9-Diepoxy-11,13a-epidioxy-8,9,10,11-tetrahydro-1,7,7-trihydroxy-9-methylcyclodeca[b]naphthalene-5,14-dione
(7R*,8S*)-3,4-dimethoxy-3,4-methylenedioxy-7,8-seco-7,7-epoxylignan-7,8-dione|1-(3,4-methylenedioxyphenyl)-2-methyl-3-oxobutyl-3,4-dimethoxybenzoate|7,8-Seco-holostylone B|7,8-secoholostylone B|schisandlignan B
2,3,7-trimethoxy-phenazine-1,6-dicarboxylic acid dimethyl ester|2,3,7-Trimethoxyphenazin-1,6-dicarbonsaeuredimethylester|2.3.7-Trimethoxyphenacin-1.6-dicarbonsaeuredimethylester
Di-Ac-9,10-Dihydro-2,7-dihydroxy-1,3,5-trimethoxyphenanthrene
(+)-(7alpha,7alpha,8alpha, 8alpha)-4,5-dimethoxy-3,4-(methylenedioxy)-7,9: 7,9-diepoxylignan-3-ol|(+)-(7S,7S,8R,8R)-4,5-dimethoxy-3,4-(methylenedioxy)-7,9: 7,9-diepoxylignan-3-ol|(7alpha,7alpha,8alpha,8alpha)-3,4-dioxymethylene-3,4-dimethoxy-7,9,7,9-diepoxylignan-5-ol|5-hydroxy-methyl-piperitol|5-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,3-dimethoxyphenol
(8S,7R,8S)-6,8-Dihydroxy-3,4-dimethoxy-3,4-methylenedioxy-7-oxo-6.78.8-neolignan
3-(1,2-dihydroxy-3-methylbut-3-enyl)-11-hydroxy-4-methoxy-9-methyldibenzo[b,g[1,5]dioxocin-5(7H)-one]|pestalotiollide A
2alpha,5,7-trihydroxy-3beta-ethylchromanone-2-O-beta-D-glucoside|takanechromanone B
(2R,3R,4R)-2,3-trans-3,4-trans-3,4-diacetoxy-4,7-dimethoxyflavan|3.4-trans-Diacetoxy-4.7-dimethoxy-2.3-trans-flavan
3-[4-(2-carboxyvinyl)-2-methoxyphenoxy]-4-hydroxy-5-methoxycinnamic acid
3,5,7,2-tetrahydroxy-6-methoxy-8-prenylflavanone|floranol
(2S,3S)-2-(4-hydroxy-3-methoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
(7E)-4,4-dihydroxy-3,3,5-trimethoxylign-7-en-9,9-olide
N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide
Peucedanocoumarin III
Peucedanocoumarin III is a natural product found in Morinda citrifolia with data available.
Axitinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EK - Vascular endothelial growth factor receptor (vegfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
1-O-Sinapoyl-beta-D-glucose
A glucosyl hydroxycinnamic acid that is the cinnamate ester obtained by the formal condensation of the carboxy group of trans-sinapic acid with the anomeric hydroxy group of beta-D-glucose.
7-[3,5-dihydroxy-4-(4-hydroxyphenyl)-2-methoxyphenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione
5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
2-[3-[3-hydroxy-4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-5-oxo-2H-furan-2-yl]acetic acid
C20H18O8_2-Furanacetic acid, 3-(3,4-dihydroxy-2,5-dimethoxy[1,1-biphenyl]-4-yl)-2,5-dihydro-5-oxo
5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]
1-O-Sinapoylglucose
5-(2-Carboxyvinyl)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofurancarboxylic acid
1-(4-carboxybutanamido)-1-(dimethylcarbamoyl)ferrocene
2-(2-(4-ISOPROPYLPHENYL)-1,1-DIOXIDO-6-PHENYL-4H-THIOPYRAN-4-YLIDENE)MALONONITRILE
Caffeine Citrate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Piposulfan
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine
3-(4-methylphenyl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
C20H13F3N2OS (386.07006440000004)
N-(4-(2-Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride
6-[(3-chlorophenyl)amino]-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
6-chloro-4-ethyl-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
1-[(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-4-carboxylic acid
C18H18N4O4S (386.10487080000007)
CIS-(1R,3R)-1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B],INDOLE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
C20H19ClN2O4 (386.10332840000007)
Homochlorcyclizine dihydrochloride
5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-thiazolamine
C20H22N2O4S (386.13002120000004)
dimethyl 4-[3,4-bis(methoxycarbonyl)phenyl]benzene-1,2-dicarboxylate
tert-Butyl 4-(3-bromo-5-nitropyridin-4-yl)piperazine-1-carboxylate
5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylic acid
(3R,3AR,6S,6AR)-HEXAHYDROFURO[3,2-B]FURAN-3,6-DIYL BIS(4-HYDROXYBENZOATE)
3-[8-((2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-YL]propanoic acid
(1r)-4-(3-Phenoxyphenyl)-1-Phosphonobutane-1-Sulfonic Acid
Glutaryl-7-aminocephalosporanic acid
C15H18N2O8S (386.07838280000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
8,5-diferulic acid
A polyphenol composed of two molecules of ferulic acid joined by a bond between positions 8 and 5.
N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
C18H18N4O4S (386.10487080000007)
3-(3-Benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dione
{3-[(3-Hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid
C11H20N2O9P2 (386.06440100000003)
Fosfluconazole
C13H13F2N6O4P (386.07039320000007)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C254 - Anti-Infective Agent > C514 - Antifungal Agent
1,3,6,8-Tetrahydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-anthraquinone
1-(4-carboxybutanamido)-1-(dimethylcarbamoyl)ferrocene
5-8'-Benzofuran dehydrodiferulic acid
5-8-benzofuran dehydrodiferulic acid is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. 5-8-benzofuran dehydrodiferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5-8-benzofuran dehydrodiferulic acid can be found in a number of food items such as hard wheat, common wheat, corn, and rye, which makes 5-8-benzofuran dehydrodiferulic acid a potential biomarker for the consumption of these food products.
(-)-Dca-CC
A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
(+)-Dca-CC
A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
(2S)-4-[(E)-2-[(2S)-2-carboxy-5,6-dioxo-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
(7S,9R)-9-ethyl-4,6,7,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
(2R,3S,4R,5S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexanedioic acid
3-Hydroxy-4-[(4-methyl-2-sulphophenyl)azo]-2-naphthoic acid
C18H14N2O6S (386.05725440000003)
4-[(E)-2-(2-carboxy-5,6-dioxo-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
8-epi-cleomiscosin A
An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2S,3R stereoisomer). An epimer of cleomiscosin A, it is isolated from the aerial parts of Rhododendron collettianum and exhibits inhibitory activity towards the enzyme tyrosinase.
2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-furanylmethyl)acetamide
C20H22N2O4S (386.13002120000004)
4-Fluorobenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C19H12F2N2O3S (386.05366660000004)
1-Methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
C18H18N4O4S (386.10487080000007)
3-(3-Fluoro-4-methoxyphenyl)-5-phenylfuro[3,2-g]chromen-7-one
4-Fluorobenzoic acid 4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C19H12F2N2O3S (386.05366660000004)
4-Fluorobenzoic acid 4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C19H12F2N2O3S (386.05366660000004)
(3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
C19H15ClN2O5 (386.06694500000003)
4-[[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
C20H22N2O4S (386.13002120000004)
N-[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-4-methyl-1-piperazinecarboxamide
C16H23ClN4O3S (386.11793180000006)
N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide
C18H18N4O4S (386.10487080000007)
[2-[1-(1-Methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
C20H22N2O4S (386.13002120000004)
N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
C19H18N2O5S (386.09363780000007)
2-methyl-3-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
C18H18N4O4S (386.10487080000007)
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide
C18H18N4O4S (386.10487080000007)
6-amino-1,3-dimethyl-5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
A pyranobenzodioxin obtained by formal cyclocodensation between syringylglycerol and esculetin. It is found in Arabidopsis thaliana.
5-[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]-3-(3-fluorophenyl)-5-methyl-4H-isoxazole
Ethyl 4-(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)piperazine-1-carboxylate
C18H18N4O4S (386.10487080000007)
(2S)-4-{2-[(2S)-2-carboxy-5,6-dioxo-2,3,5,6-tetrahydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
ethyl (2Z)-2-[3-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
C16H16F2N2O5S (386.07479500000005)
6-methoxy-2-[(5-nitro-2-furanyl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
C19H18N2O5S (386.09363780000007)
(2S,3R,4S)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C20H19FN2O3S (386.11003560000006)
(2R,3R,4S)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C20H19FN2O3S (386.11003560000006)
(2S,3S,4R)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
C20H19FN2O3S (386.11003560000006)
2-[(2R,3S,6S)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2R,3R,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-fluorophenyl)methyl]acetamide
1-[(2S,3R)-6-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
C20H22N2O4S (386.13002120000004)
2-[(2R,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-fluorophenyl)methyl]acetamide
1-[(2R,3R)-6-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
C20H22N2O4S (386.13002120000004)
6-[(4,7-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
5,7-Dihydroxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
6-[(E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[5-(2-amino-5-carbamoyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
C12H13N5O8P- (386.05017280000004)
6-[2-(2-Chlorophenoxy)ethyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3,4,5-Trihydroxy-6-[4-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-[5-(3,5-dihydroxyphenyl)pentanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[5-(2-amino-5-carbamimidoyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] hexanoate
2-[3-[3-hydroxy-4-(4-hydroxyphenyl)-2,5-dimethoxyphenyl]-5-oxo-2H-furan-2-yl]acetic acid
7-[3,5-Dihydroxy-4-(4-hydroxyphenyl)-2-methoxyphenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione
5,8-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] pentanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] butanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] hexanoate
Phosphoric acid 2,3-dihydroxypropyl=2,3-bis(butyryloxy)propyl ester
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] pentanoate
(2S)-versicolorone
An optically active form of tricyclic versicolorone having S-configuration.
(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid
(7R)-7-(4-carboxybutanamido)cephalosporanic acid
C15H18N2O8S (386.07838280000004)
3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7-furo[3,2-g][1]benzopyranone
Glucobrassicanapin(1-)
An alkenylglucosinolate that is the conjugate base of glucobrassicanapin.
HBT1
HBT1 is a potent α-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor (AMPA-R) potentiator. HBT1 bonds with S518 in the ligand-binding domain (LBD) of AMPA-R in a glutamate-dependent manner. HBT1 did not show remarkable bell-shaped response in brain-derived neurotrophic factor (BDNF) production in primary neurons[1].
T-705RMP (ammonium)
T-705RMP (ammonium) is the ammonium form of T-705RMP. T-705RMP (ammonium)’s the inhibition of IMP dehydrogenase (IMPDH) activity is weak [1].
3,6-bis(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1,4-diol
2-[4-(2-carboxyeth-1-en-1-yl)-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
(1s,3as,4r,6ar)-1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-1,6a-diol
4-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methyl-4-oxobutanoic acid
(3s)-5-hydroxy-4',7-bis(3-methylbut-3-en-1-yn-1-yl)-2,2',5'-trioxospiro[1-benzofuran-3,1'-cyclopentan]-3'-ene-4-carbaldehyde
2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaene-3,4,5,7,10-pentol
(1s,3r,4s,5s,6s,7s,10r)-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaene-3,4,5,7,10-pentol
8-ethyl-1,6,7,8,10,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
3,4,5,7-tetrahydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-10-one
(1r,3s,3as,4s,6s,6as)-3,6-bis(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1,4-diol
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (3r)-3,4-dihydroxy-2-methylidenebutanoate
(3as,6as)-1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-3a,6a-diol
5-[4-(4-hydroxy-2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxol-4-ol
17-hydroxy-5,13-dimethoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde
3-[2,4-dihydroxy-7-oxo-8-(2,3,4,5-tetrahydroxypentyl)pteridin-6-yl]propanoic acid
9-methoxy-7-(2,3,6-trimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(1s,3r,4s,5r)-3,4,5-trihydroxy-1-(3,4,5-trimethoxybenzoyloxy)cyclohexane-1-carboxylic acid
(3r,4r)-3-[2h-1,3-benzodioxol-5-yl(hydroxy)methyl]-4-[(6-hydroxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
3'-o-β-glucopyranosyl plumbagicacid
{"Ingredient_id": "HBIN009269","Ingredient_name": "3'-o-\u03b2-glucopyranosyl plumbagicacid","Alias": "NA","Ingredient_formula": "C17H22O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxyhinokinin
{"Ingredient_id": "HBIN013284","Ingredient_name": "7-hydroxyhinokinin","Alias": "NA","Ingredient_formula": "C20H18O8","Ingredient_Smile": "C1C(C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)O)CC4=CC5=C(C=C4O)OCO5","Ingredient_weight": "386.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100935372","DrugBank_id": "NA"}
(1s,3r,5r,17r)-6,6,14-trihydroxy-3-methyl-4,18,19,22-tetraoxahexacyclo[15.2.2.1¹,⁷.0³,⁵.0⁸,¹⁷.0¹⁰,¹⁵]docosa-7,10,12,14,20-pentaene-9,16-dione
methyl 2-{2-[(1e)-6-oxocyclohexa-2,4-dien-1-ylidene]-3h-1,3-benzoxazol-4-yl}-1,3-benzoxazole-4-carboxylate
3-(2h-1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxychromen-4-one
(3s,5s,7s)-15-hydroxy-5,11,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
(2r,3s,5r,6s,8ar)-2,3,5,6,8a-pentahydroxy-3,5,6,7-tetrahydro-2h-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-8-one
1,6-dimethyl 2,3,7-trimethoxyphenazine-1,6-dicarboxylate
methyl (1s,4as,7as)-7-formyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenazine-1-carboxylic acid
1,3,6,8-tetrahydroxy-2-(1-hydroxy-5-oxohexan-2-yl)anthracene-9,10-dione
9-hydroxy-7,13-diphenyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),9-triene-5,11-dione
(2s,3s)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
3,4-bis(4-hydroxy-3-nitrophenyl)-5-nitroso-1h-pyrrol-2-ol
(1r,3ar,4s,6as)-1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-1,6a-diol
5-hydroxy-4',7-bis(3-methylbut-3-en-1-yn-1-yl)-2,2',5'-trioxospiro[1-benzofuran-3,1'-cyclopentan]-3'-ene-4-carbaldehyde
5-hydroxy-7-(3-methylbut-3-en-1-yn-1-yl)-3-[4-(3-methylbut-3-en-1-yn-1-yl)-5-oxofuran-2-ylidene]-2-oxo-1-benzofuran-4-carbaldehyde
(2e)-3-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
(2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-g]chromen-9-one
[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3,4-dihydroxy-2-methylidenebutanoate
(2r,3s)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-3a,6a-diol
(17r)-13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde
(4s,7r,8s,11r)-6-(methoxymethyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
7-hydroxy-2-phenyl-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one
1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-1,6a-diol
(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
methyl 1,3-dihydroxy-2,5-bis(4-hydroxyphenyl)-5-methoxy-4-oxocyclopent-2-ene-1-carboxylate
methyl 4-(1,5-dihydroxy-9,10-dioxoanthracen-2-yl)-2,3-dihydroxy-3-methylbutanoate
(3r,5r)-6,6,14-trihydroxy-3-methyl-4,18,19,22-tetraoxahexacyclo[15.2.2.1¹,⁷.0³,⁵.0⁸,¹⁷.0¹⁰,¹⁵]docosa-7,10,12,14,20-pentaene-9,16-dione
3-ethyl-5,7-dihydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
2-[(2e,4z)-hexa-2,4-dien-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
2,3,5,6,8a-pentahydroxy-3,5,6,7-tetrahydro-2h-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-8-one
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2s,6s,7r,8r,10r)-8-chloro-7-ethenyl-7,11,11-trimethyl-3-thia-5,17-diazapentacyclo[10.6.1.0²,⁶.0²,¹⁰.0¹⁶,¹⁹]nonadeca-1(18),4,12(19),13,15-pentaen-4-ol
C21H23ClN2OS (386.12195380000003)
3,6-dibenzyl-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
2-(3-hydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(3s,5r,7s)-15-hydroxy-5,11,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
7-hydroxy-2-phenyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one
(3r)-5-hydroxy-4',7-bis(3-methylbut-3-en-1-yn-1-yl)-2,2',5'-trioxospiro[1-benzofuran-3,1'-cyclopentan]-3'-ene-4-carbaldehyde
3,4,5-trihydroxy-1-(3,4,5-trimethoxybenzoyloxy)cyclohexane-1-carboxylic acid
5,6,7-trimethoxy-2-(7-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
(7r,13r)-9-hydroxy-7,13-diphenyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),9-triene-5,11-dione
2-[5-(2-carboxyeth-1-en-1-yl)-2-hydroxy-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
methyl (1s,7as)-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,7ah-cyclopenta[c]pyran-4-carboxylate
2-(3,4-dihydroxyphenyl)-8,11-dihydroxynaphtho[2,1-f]chromen-9-one
7-{[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-(4-hydroxyphenyl)chromen-4-one
6,8-dihydroxy-7-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
6,8-dihydroxy-7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
7-hydroxy-2-phenyl-5-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one
9-methoxy-6-(3,4,5-trimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-g]chromen-9-one
5-hydroxy-7-(3-methylbut-3-en-1-yn-1-yl)-3-[(2e)-4-(3-methylbut-3-en-1-yn-1-yl)-5-oxofuran-2-ylidene]-2-oxo-1-benzofuran-4-carbaldehyde
5-hydroxy-7-(3-methylbut-3-en-1-yn-1-yl)-3-[(2z)-4-(3-methylbut-3-en-1-yn-1-yl)-5-oxofuran-2-ylidene]-2-oxo-1-benzofuran-4-carbaldehyde
2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
3-{2,4-dihydroxy-7-oxo-8-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]pteridin-6-yl}propanoic acid
(2s,3s)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2s,3s)-3-ethyl-5,7-dihydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
(2z)-2-{4-[(1e)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
(1r,3r,4s,5s,6s,7r)-3,4,5,7-tetrahydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-10-one
15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
(3r,6r)-3,6-dibenzyl-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
(7r,8r,10s)-8-ethyl-1,6,7,8,10,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione
(3s)-4-(2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methyl-4-oxobutanoic acid
(17r)-17-hydroxy-5,13-dimethoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
(2s,3s)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
5-[(1s,3ar,4s,6ar)-4-(4-hydroxy-2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxol-4-ol
methyl 7-formyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
(2s,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(1s,3ar,4s,6as)-1,4-bis(2h-1,3-benzodioxol-5-yl)-tetrahydrofuro[3,4-c]furan-1,6a-diol
3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
3-[5'-(2-carboxyeth-1-en-1-yl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]prop-2-enoic acid
(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6s)-1,2,3,5,6-pentahydroxy-7-oxoheptan-4-yl]oxy}oxane-2-carboxylic acid
6-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylic acid
8,14-dimethoxy-11-methylquinolino[3,4-b]acridine-6,7-diol
(1r,15s,23s)-6,11-dihydroxy-9-methoxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one
(2s)-4-[(1e)-2-[(2s)-2-carboxy-5,6-dioxo-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylic acid
methyl (1s,5s)-1,3-dihydroxy-2,5-bis(4-hydroxyphenyl)-5-methoxy-4-oxocyclopent-2-ene-1-carboxylate
3,4,5-trihydroxy-6-[(1,2,3,5,6-pentahydroxy-7-oxoheptan-4-yl)oxy]oxane-2-carboxylic acid
2-[2-(2-hydroxy-6-methylphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid
2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
(2s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
6,6,14-trihydroxy-3-methyl-4,18,19,22-tetraoxahexacyclo[15.2.2.1¹,⁷.0³,⁵.0⁸,¹⁷.0¹⁰,¹⁵]docosa-7,10,12,14,20-pentaene-9,16-dione
(6r,7r)-3-[(acetyloxy)methyl]-7-[(4-carboxy-1-hydroxybutylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C15H18N2O8S (386.07838280000004)
(3r)-4-(2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methyl-4-oxobutanoic acid
6-(methoxymethyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
(3r,7s)-15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
15-hydroxy-5,11,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
6,11-dihydroxy-9-methoxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one
4,5,13,14-tetrahydroxy-10-methyl-15-(2-oxopropyl)-11,18-dioxatetracyclo[8.7.1.0²,⁸.0¹²,¹⁷]octadeca-2(8),4,6,12(17),13,15-hexaen-3-one
4,15-diformyl-6-hydroxy-14-methoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylic acid
8-chloro-7-ethenyl-7,11,11-trimethyl-3-thia-5,17-diazapentacyclo[10.6.1.0²,⁶.0²,¹⁰.0¹⁶,¹⁹]nonadeca-1(18),4,12(19),13,15-pentaen-4-ol
C21H23ClN2OS (386.12195380000003)