Exact Mass: 386.1294
Exact Mass Matches: 386.1294
Found 500 metabolites which its exact mass value is equals to given mass value 386.1294
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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].
Mesoridazine
Mesoridazine is only found in individuals that have used or taken this drug. It is a phenothiazine antipsychotic with effects similar to chlorpromazine. [PubChem]Based upon animal studies, mesoridazine, as with other phenothiazines, acts indirectly on reticular formation, whereby neuronal activity into reticular formation is reduced without affecting its intrinsic ability to activate the cerebral cortex. In addition, the phenothiazines exhibit at least part of their activities through depression of hypothalamic centers. Neurochemically, the phenothiazines are thought to exert their effects by a central adrenergic blocking action. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AC - Phenothiazines with piperidine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
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
2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
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
(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.
3,4-Dihydroxyphenylvaleric acid 3 glucuronide
3,4-Dihydroxyphenylvaleric acid 4 glucuronide
3,5-Dihydroxyphenylvaleric acid glucuronide
(+)-Praeruptorin A
Thioridazine 5-Sulfoxide
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
5-Chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydroxy-7-methyl-1,7,8,8a-tetrahydro-6H-isochromen-6-one
[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
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-acetylamino-7-(N-acetyl-2-aminoethyl)-1,4-benzodioxane
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
(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
2-Acetylamino-7-(2-acetylaminoethyl)-3-(3,4-dihydroxyphenyl)benzodioxin
(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.
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
[(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
mesoridazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AC - Phenothiazines with piperidine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(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]
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one [IIN-based on: CCMSLIB00000847624]
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one [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
Ala Cys His Gly
Ala Gly Cys His
Ala Gly His Cys
Ala His Cys Gly
Ala His Gly Cys
Cys Ala Gly His
Cys Ala His Gly
Cys Gly Ala His
Cys Gly His Ala
Cys His Ala Gly
Cys His Gly Ala
Gly Ala Cys His
Gly Ala His Cys
Gly Cys Ala His
Gly Cys His Ala
Gly His Ala Cys
Gly His Cys Ala
His Ala Cys Gly
His Ala Gly Cys
His Cys Ala Gly
His Cys Gly Ala
His Gly Ala Cys
His Gly Cys Ala
(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
(-)-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].
methyl 8-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]octanoate
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
Ciproxifan Maleate
Ciproxifan maleate (FUB 359 maleate) is a potent, selective, orally bioavailable and competitive antagonist of histamine H3-receptor, with an IC50 of 9.2 nM. Ciproxifan maleate displays low apparent affinity at other receptor subtypes. Ciproxifan maleate can be used for the research of aging disorders and Alzheimer's disease[1][3].
(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
2-Hydroxy-5-({1-[(4-Methylphenoxy)Methyl]-3-Oxoprop-1-Enyl}Amino)-L-Tyrosine
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
(2Z)-4-{9,10-dihydroxy-5-methyl-1-oxo-3H,4H-naphtho[2,3-c]pyran-3-yl}-4-(dimethylamino)-3-hydroxybut-2-enamide
2-[[(1S)-1-carboxy-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]propyl]amino]pentanedioic acid
3-[(2Z,4Z)-6-amino-3-(dimethylamino)-4-hydroxy-6-oxohexa-2,4-dienyl]-1,8-dihydroxy-4-methylnaphthalene-2-carboxylic 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
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
[2-[1-(1-Methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
1-[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester
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
1-(2-Phenylethyl)-4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-2,6-dione
(2E)-N-[4-(2-methylpropoxy)benzyl]-2-(4-nitrobenzylidene)hydrazinecarbothioamide
4-[(4-Phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole
Methyl 4-[5-[(E)-[[2-(2-methyl-1,3-dioxan-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
(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
[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
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
6'-acetyl-11'-hydroxy-1,6-dimethoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
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
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
(1's,3s,4's,7'r,8's,11'r)-6'-acetyl-11'-hydroxy-1,6-dimethoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
(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"}