Exact Mass: 386.122
Exact Mass Matches: 386.122
Found 500 metabolites which its exact mass value is equals to given mass value 386.122,
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.
2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
(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).
(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.
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.
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
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.
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].
(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
[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
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
Propanetriol-??-L-arabinofuranosyl (1鈥樏傗垎4)-??-D-glucopyranoside
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
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
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
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
Dodoviscin I
dodoviscin I is a natural product found in Dodonaea viscosa with data available.
(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
(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
3,5,7,2-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.
Wushanicaritin
Wushanicaritin exhibits significant antioxidant activity (IC50=35.3 μM) in DPPH radical scavenging activity tests. Antitumor effects and anti-inflammatory property[1].
Peucedanocoumarin II
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.
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-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
(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate
(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate
CPP_387.1471_17.0
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 301 INTERNAL_ID 301; CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b)
C21H22O7_3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 1,6b,7,8,9a,10,11,11b-octahydro-11-hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)
C21H22O7_Benzoic acid, 2,4-dihydroxy-6-methyl-, 6,7,8,8a-tetrahydro-7-hydroxy-7-methyl-6-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-8-yl ester
(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate
(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000846509]
(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848494]
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848345]
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847554]
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847208]
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate [IIN-based: Match]
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate [IIN-based: Match]
(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]
(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate_major
(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate_45.3\\%
(9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate_major
Ala Cys Gly His
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(7'R*,8'S*)-Methyl 4,7'-epoxy-3,8'-bilign-7-ene-4',9'-dihydroxy-3',5-dimethoxy-9-oate
(R)-Heraclenol 2'-(3-methyl-2-butenoate)
7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione
1-O-Sinapoylglucose
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
(-)-pareruptorin A
(±)-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].
1-[(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-4-carboxylic acid
CIS-(1R,3R)-1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B],INDOLE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
Homochlorcyclizine dihydrochloride
1H-Azepine,1-[[[5-(2-furanyl)-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hexahydro-(9CI)
1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-5-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-thiazolamine
3-[8-((2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-YL]propanoic acid
N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
(10-Acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-methylbut-2-enoate
Bis(trimethylsilyl) [1,1-biphenyl]-2,2-dicarboxylate
4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine
4-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-oxobutanoic acid
[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 2-methyl-2-butenoate
2-[[(1S)-1-carboxy-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]propyl]amino]pentanedioic acid
(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-oxireno[j]isochromen-7-yl (3S)-3-hydroxybutanoate
2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-furanylmethyl)acetamide
1-Methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
2-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
4-[[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
N-[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-4-methyl-1-piperazinecarboxamide
N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide
[2-[1-(1-Methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
2-methyl-3-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide
6-amino-1,3-dimethyl-5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide
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
(2E)-N-[4-(2-methylpropoxy)benzyl]-2-(4-nitrobenzylidene)hydrazinecarbothioamide
4-[(4-Phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole
(2S,3R,4S)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2R,3R,4S)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
(2S,3S,4R)-1-(3-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-2-carbonitrile
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
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
6-[(4,7-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(E)-3-(2,4-dihydroxy-5-methoxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
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
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
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate
[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
(-)-5-Desmethylyatein
A butan-4-olide that is (-)-bursehernin bearing an additional hydroxy substituent at position 5 (adjacent to the two methoxy groups).
(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
(7R*,8S*)-Methyl 4,7-epoxy-3,8-bilign-7-ene-4,9-dihydroxy-3,5-dimethoxy-9-oate
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].
P2Y1/P2Y12 antagonist-1
P2Y1/P2Y12 antagonist-1 (compound 24w) is an orally available dual inhibitor of P2Y1 and P2Y12 with antiplatelet activity. P2Y1/P2Y12 antagonist-1 inhibits ADP-induced platelet aggregation in rabbit plasma with an IC50 of 4.23 μM. P2Y1/P2Y12 antagonist-1 exhibits potent inhibitory effects in rat thrombosis model.
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one
(8s,9s)-8-[2-(acetyloxy)propan-2-yl]-2-oxo-8h,9h-furo[2,3-h]chromen-9-yl (2e)-2-methylbut-2-enoate
(2r,3r)-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(3e)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]oxolan-2-one
3,5,7-trihydroxy-3,5'-dimethyl-6-(3-methylbut-2-en-1-yl)-3'h-spiro[naphthalene-2,2'-pyran]-1,4,6'-trione
4-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methyl-4-oxobutanoic acid
4-[(1s,3ar,4s,6ar)-4-(4-methoxy-2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol
2-methoxy-4-[4-(4-methoxy-2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]phenol
(9s,10s)-10-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
(4z)-6-[(z)-benzoyloxy]-2,3-dihydroxy-2-(hydroxymethyl)hex-4-en-1-yl benzoate
1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-1-oxobut-3-en-2-yl 3-methylbut-2-enoate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (3r)-3,4-dihydroxy-2-methylidenebutanoate
2-methoxy-4-[4-(7-methoxy-2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]phenol
7-hydroxy-7-methyl-6-oxo-3-(prop-1-en-1-yl)-8,8a-dihydro-1h-isochromen-8-yl 2,4-dihydroxy-6-methylbenzoate
1-[(1s,2s)-2-[(s)-hydroxy[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
3-[2,4-dihydroxy-7-oxo-8-(2,3,4,5-tetrahydroxypentyl)pteridin-6-yl]propanoic acid
5,7-dihydroxy-2-(3-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-2,3-dihydro-1-benzopyran-4-one
10-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
(1s,3r,4s,5r)-3,4,5-trihydroxy-1-(3,4,5-trimethoxybenzoyloxy)cyclohexane-1-carboxylic acid
1-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphernyl)-6-heptene-3,5-dione
{"Ingredient_id": "HBIN002607","Ingredient_name": "1-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphernyl)-6-heptene-3,5-dione","Alias": "NA","Ingredient_formula": "C21H22O7","Ingredient_Smile": "NA","Ingredient_weight": "386.43","OB_score": "6.495251921","CAS_id": "NA","SymMap_id": "SMIT01165","TCMID_id": "NA","TCMSP_id": "MOL004319","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1ξ-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)-6-heptene-3,5-dione
{"Ingredient_id": "HBIN003375","Ingredient_name": "1\u03be-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)-6-heptene-3,5-dione","Alias": "NA","Ingredient_formula": "C21H22O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9854","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-methoxy-4' '-hydroxydemethoxykobusin
{"Ingredient_id": "HBIN005886","Ingredient_name": "2'-methoxy-4' '-hydroxydemethoxykobusin ","Alias": "2'-methoxy-4' '-hydroxydemethoxykobusin","Ingredient_formula": "C21H22O7","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=C(C5=C(C=C4)OCO5)OC)O","Ingredient_weight": "386.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9982;9983","PubChem_id": "21626045","DrugBank_id": "NA"}
(2s,3s)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(3,4-methylenedioxybenzyl)butyrolactone
{"Ingredient_id": "HBIN006694","Ingredient_name": "(2s,3s)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(3,4-methylenedioxybenzyl)butyrolactone","Alias": "NA","Ingredient_formula": "C21H22O7","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10015","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3s)-2-(4-hydroxy-3-methoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
{"Ingredient_id": "HBIN006696","Ingredient_name": "(2s,3s)-2-(4-hydroxy-3-methoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone","Alias": "NA","Ingredient_formula": "C21H22O7","Ingredient_Smile": "COC1=CC(=CC2=C1OCO2)CC3COC(=O)C3CC4=CC(=C(C=C4)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10387","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
(-)-3'-(s)-acetyloxy-4'-(s)-angeloyloxy-3',4'-dihydroseselin
{"Ingredient_id": "HBIN009715","Ingredient_name": "(-)-3'-(s)-acetyloxy-4'-(s)-angeloyloxy-3',4'-dihydroseselin","Alias": "NA","Ingredient_formula": "C21H22O7","Ingredient_Smile": "CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-3'-(s)-acetyloxy-4'-(s)-angeloyloxy-3',4'-dihydroseselin
{"Ingredient_id": "HBIN009716","Ingredient_name": "(?)-3'-(s)-acetyloxy-4'-(s)-angeloyloxy-3',4'-dihydroseselin","Alias": "NA","Ingredient_formula": "C21H22O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "476","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(±)-4'-o-acetyl-3'-o-angeloyl-cis-khellactone
{"Ingredient_id": "HBIN010737","Ingredient_name": "(±)-4'-o-acetyl-3'-o-angeloyl-cis-khellactone","Alias": "NA","Ingredient_formula": "C21H22O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "317","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
