Exact Mass: 388.149511
Exact Mass Matches: 388.149511
Found 500 metabolites which its exact mass value is equals to given mass value 388.149511
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Geniposide
C17H24O10 (388.13694039999996)
Geniposide is a terpene glycoside. Geniposide is a natural product found in Feretia apodanthera, Gardenia jasminoides, and other organisms with data available. See also: Gardenia jasminoides whole (part of). Origin: Plant; SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids Annotation level-1 Geniposide is an iridoid glucoside extracted from Gardenia jasminoidesEllis fruits; exhibits a varity of biological activities such as anti-diabetic, antioxidative, antiproliferative and neuroprotective activities. Geniposide is an iridoid glucoside extracted from Gardenia jasminoidesEllis fruits; exhibits a varity of biological activities such as anti-diabetic, antioxidative, antiproliferative and neuroprotective activities.
Verbenalin
C17H24O10 (388.13694039999996)
Verbenalin, also known as cornin (glycoside) or cornin iridoid, is a member of the class of compounds known as iridoid o-glycosides. Iridoid o-glycosides are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. Thus, verbenalin is considered to be an isoprenoid lipid molecule. Verbenalin is soluble (in water) and a very weakly acidic compound (based on its pKa). Verbenalin is a bitter tasting compound found in common verbena, which makes verbenalin a potential biomarker for the consumption of this food product. Verbenalin is a chemical compound, classified as an iridoid glucoside, that is found in Verbena officinalis. It is one of the sleep-promoting (soporific) components in Verbena officinalis . Verbenalin is a terpene glycoside. Verbenalin is a natural product found in Symplocos glauca, Cornus kousa, and other organisms with data available. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2]. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2].
secologanin
C17H24O10 (388.13694039999996)
Secologanin is a member of the class of compounds known as terpene glycosides. Terpene glycosides are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Thus, secologanin is considered to be an isoprenoid lipid molecule. Secologanin is soluble (in water) and a very weakly acidic compound (based on its pKa). Secologanin can be found in a number of food items such as oyster mushroom, flaxseed, nectarine, and cereals and cereal products, which makes secologanin a potential biomarker for the consumption of these food products. Secologanin is a secoiridoid monoterpene synthesized from geranyl pyrophosphate in the mevalonate pathway. Secologanin then proceeds with dopamine or tryptamine to form ipecac and terpene indole alkaloids, respectively . Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2]. Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2].
Cetirizine
C21H25ClN2O3 (388.15536099999997)
Cetirizine is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects. Cetirizine hydrochloride is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Cetirizine, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist. Cetirizine marks antiallergic properties and inhibits eosinophil chemotaxis during the allergic response[1][2][3].
Visnadin
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Nisoldipine
Nisoldipine is a 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nisoldipine prevents calcium-dependent smooth muscle contraction and subsequent vasoconstriction. Nisoldipine may be used in alone or in combination with other agents in the management of hypertension. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Trachelogenin
Trachelogenin is a lignan. Trachelogenin is a natural product found in Volutaria tubuliflora, Ipomoea cairica, and other organisms with data available.
Secologanin
C17H24O10 (388.13694039999996)
(-)-secologanin is an iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). It has a role as a plant metabolite. It is a beta-D-glucoside, a methyl ester, an aldehyde, an enoate ester, a secoiridoid glycoside and a member of pyrans. Secologanin is a natural product found in Lonicera japonica, Symphoricarpos orbiculatus, and other organisms with data available. An iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2]. Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2].
7-Epi-12-hydroxyjasmonic acid glucoside
7-Epi-12-hydroxyjasmonic acid glucoside is found in alcoholic beverages. 7-Epi-12-hydroxyjasmonic acid glucoside is isolated from potato leaves (Solanum tuberosum). Isolated from potato leaves (Solanum tuberosum). 7-Epi-12-hydroxyjasmonic acid glucoside is found in alcoholic beverages and potato.
MS 3
MS 3 is found in mushrooms. MS 3 is produced by the mushroom Stereum hirsutum. Production by the mushroom Stereum hirsutum. MS 3 is found in mushrooms.
beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
beta-D-Glucopyranosyl-11-hydroxyjasmonic acid is found in potato. beta-D-Glucopyranosyl-11-hydroxyjasmonic acid is a constituent of Solanum tuberosum (potato). Constituent of Solanum tuberosum (potato). 11-Hydroxyjasmonic acid glucoside is found in potato.
8-Hydroxy-4'-methoxypinoresinol
Constituent of Olea europaea (olive). 8-Hydroxy-4-methoxypinoresinol is found in many foods, some of which are pomes, olive, fats and oils, and herbs and spices. 8-Hydroxy-4-methoxypinoresinol is found in fats and oils. 8-Hydroxy-4-methoxypinoresinol is a constituent of Olea europaea (olive).
(R)-Heraclenol 2'-(3-methylbutanoate)
(R)-Heraclenol 2-(3-methylbutanoate) is found in fats and oils. (R)-Heraclenol 2-(3-methylbutanoate) is a constituent of Angelica archangelica (angelica). Constituent of Angelica archangelica (angelica). (R)-Heraclenol 2-(3-methylbutanoate) is found in fats and oils, herbs and spices, and green vegetables.
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside is a constituent of Scotch pine (Pinus sylvestris) bark. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside can be used as famine food. Constituent of Scotch pine (Pinus sylvestris) bark. Famine food
8-Epidiosbulbin E acetate
8-Epidiosbulbin E acetate is found in root vegetables. 8-Epidiosbulbin E acetate is isolated from Dioscorea bulbifera (air potato Isolated from Dioscorea bulbifera (air potato). 8-Epidiosbulbin E acetate is found in root vegetables. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2]. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2].
Edulisin III
Edulisin III is found in green vegetables. Edulisin III is a constituent of Angelica edulis. Constituent of Angelica edulis. Edulisin III is found in green vegetables.
Bepotastine
C21H25ClN2O3 (388.15536099999997)
Bepotastine is a non-sedating, selective antagonist of the histamine 1 (H1) receptor. Bepotastine was approved in Japan for use in the treatment of allergic rhinitis and uriticaria/puritus in July 2000 and January 2002, respectively, and is marketed by Tanabe Seiyaku Co., Ltd. under the brand name Talion®. It is currently undergoing trials in the U.S.
Levocetirizine
C21H25ClN2O3 (388.15536099999997)
Levocetirizine is a second-generation piperazine H1-antihistamine. It has also been labeled as a third-generation antihistamine because it is developed from a second-generation antihistamine (cetirizine). R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Levocetirizine ((R)-Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
Aranidipine
5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine
Methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
Geniposide
C17H24O10 (388.13694039999996)
N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents
m-Nisoldipine
Medioresinol
1,3,7-Trimethyl-8-(1,3,7-trimethyl-2,6-dioxo-8H-purin-9-yl)purine-2,6-dione
trifluoroacetyl-l-lysyl-l-alaninanilide
Visnadin
3-O-Methyl 5-O-(2-methylpropyl) (4S)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
3-O-Methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
Trachelogenin
Trachelogenin is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Trachelogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Trachelogenin can be found in burdock and grape wine, which makes trachelogenin a potential biomarker for the consumption of these food products.
Sargentol
C17H24O10 (388.13694039999996)
beta-HIVS
Beta-hydroxyisovalerylshikonin is a natural product isolated from Lithospermum erythrorhizon, acts as a potent inhibitor of protein tyrosine kinases (PTK), with IC50s of 0.7μM and 1μM for EGFR and v-Src receptor, respectively. Beta-hydroxyisovalerylshikonin is effective against a wide variety of tumor cell lines, and most efficiently induces cell-death in NCI-H522 and DMS114 cells[1]. Beta-hydroxyisovalerylshikonin is a natural product isolated from Lithospermum erythrorhizon, acts as a potent inhibitor of protein tyrosine kinases (PTK), with IC50s of 0.7μM and 1μM for EGFR and v-Src receptor, respectively. Beta-hydroxyisovalerylshikonin is effective against a wide variety of tumor cell lines, and most efficiently induces cell-death in NCI-H522 and DMS114 cells[1].
1-Methyl-3a-(1,1-dimethyl-2-propenyl)-6-bromo-8-(3-methyl-2-butenyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
6-Methoxy-3,4-dehydromurranganon-2-methylbutanoate
2-Glucopyranosyl-7-hydroxy-4-methoxy-9,10-dihydrophenanthrene
Kanzonol E
Spinoflavanone A
Flemiculosin
2-[(8S,9R)-9-acetyloxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 3-methylbutanoate
7-Formyl-3-methylene-6E-octen-1,5-diol-1-O-beta-D-(2-O-acetylglucopyranoside)|7-Formyl-3-methylene-6E-octen-1,5-diol-1-O-beta-D-<2-O-acetylglucopyranoside>
3beta-(5-acetoxyangeloyloxy)-6-methoxytremetone|3beta-<5-acetoxyangeloyloxy>-6-methoxytremetone
3-(beta-D-glucopyranosyloxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone|3-O-(??-D-Glucopyranosyl)-1-(3,5-dimethoxy-4-hydroxyphenyl)-1-propanone
C17H24O10 (388.13694039999996)
2beta-Acetoxy-4a,7-dihydroxy-1beta-methyl-8-methylen-4aalpha,10beta-gibb-3-en-1alpha,10beta-dicarbonsaeure-1=>4a-lacton|2beta-acetoxy-4a,7-dihydroxy-1beta-methyl-8-methylene-4aalpha,10beta-gibb-3-ene-1alpha,10beta-dicarboxylic acid-1=>4a lactone|3-Ac-Gibberellin A3|3-O-acetylgibberelin A3|gibberellic acid 3-acetate|Gibberellin A3 3-acetate|gibberellin A3-3-acetate|O(2)-Acetyl-gibberellinsaeure
2alpha-(1-Carbomethoxyvinyl)-3alpha-acetoxy-5-(1-tigloyloxyethyl)-2,3-dihydrobenzofuran
(1beta,6alpha,8alpha)-1-(acetyloxy)-8-{[2-(hydroxymethyl)acryloyl]oxy}eudesma-2,4(14),11(13)-trieno-12,6-lactone|1-O-acetylloloanolide B|rel-(3aR,4S,5aRS,9aS,9bR)-6-(acetoxy)-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphto[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(2S,3S)-2-(5-methoxy-3,4-methylenedioxybenzyl)-3-(3,4-methylenedioxybenzyl)butane-1,4-diol|Dihydrotrichostin
2-hydroxy-6-methoxy-6,6-dimethyl-chromeno-[4,3:2,3]-chalcone
2,7-epoxysyringylglycerol-8-O-beta-D-glucopyranoside|cremanthodioside|ficuscarpanoside B
C17H24O10 (388.13694039999996)
5-Allyl-3,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]oct-3-en-2-one #
(5Z,6SR,8SR)-5-ethylidene-6-(beta-D-glucopyranosyloxy)-4,5,6,8-tetrahydro-8-methoxy-1H,3H-pyrano[3,4-c]pyran-1-one|swertiajaposide C
C17H24O10 (388.13694039999996)
(2R,3R,4aS,6R,7S,8S,8aR)-hexahydro-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-bis(hydroxymethyl)-4aH-pyrano[2,3-b][1,4]dioxine-7,8-diol|7,8-threo-2,8-epoxysyringylglycerol-7-O-alpha-D-glucopyranoside|ericarboside
C17H24O10 (388.13694039999996)
8,8-Dimethyl-3-[4-(3-methylbut-2-enyloxy)phenyl]-8H-pyrano[2,3-f]chromen-4-one
1,3,3aalpha,4alpha,9,9abeta-hexahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxynaphtho[2,3-c]furan-6-ol|gaultherin D
3,4,7,8-Tetra-Me ether,3-Ac-(2R,3S)-3,3,4,7,8-Pentahydroxyflavan
(+/-)-(2E)-1-[2,4-dihydroxy-3-(2,3-dihydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one|xanthohumol G
(3S*,6R*,7R*)-3,4,5,6,7,8-hexahydro-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-1H-isochromen-6-yl 2,4-dihydroxy-6-methylbenzoate|deacetylisowortmin
14-chloro-15-hydroxy-vincadifformine
C21H25ClN2O3 (388.15536099999997)
7-dehydroxy-6beta-hydroxylgardosidemethyl ester|7-dehydroxyzaluzioside
C17H24O10 (388.13694039999996)
(1R,3S,5R,6R,7R,8S)-3-hydroxy-13,14,15-trimethylene-12-oxododecahydroazuleno[6,7-beta]furan-8-yl 17-(acetoxymethyl)acrylate|4-acetyl cynaropicrin
(7S,8R)-9?-methoxydihydroconiferyl alcohol|viterolignan A
6-O-acetyl-aucubin|6-O-acetylaucubin
C17H24O10 (388.13694039999996)
(2R,3R)-3-(3,4-dihydroxybenzyl)-2-(3,4,5-trimethoxybenzyl)-butyrolactone|(2R,3R)-5-methoxyguayarol
(-)-isolariciresinol-9-carboxylic acid methyl ester
3-acetyl cynaropicrin|8-O-(2-hydroxymethyl-2-propenoyl)-3-acetoxy-4(15),10(14),11(13)-guaiatrien-12,6-olide
6,7-Dimethoxy-8-[1-[(3-methylbutyryl)oxy]-3-methyl-2-oxo-3-butenyl]-2H-1-benzopyran-2-one
COC1=CC(C=CCO)=CC(C=2C(=CC(=CC=2OC)C(O)C2OC2)OC)=C1O
2,4,6,2,3,4-hexamethoxychalcone|2,3,4,2,4,6-Hexamethoxychalcone
2-O-Acetyl-1-O-(3-methylbutanoyl)-6-O-tigloyl-beta-D-glucopyranose
(-)-4-demethyltraxillagenin|(2R,3R)-2-(4-hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3,5-dimethoxybenzyl)butyrolactone|(8R,8R)-4,4-dihydroxy-3,3,5-trimethoxylignano-9,9-lactone|thujaplicatin methyl ether
(2R,3aS,12aR)-3,3a-dihydro-3a-hydroxy-8-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-9-methoxy-10-methylfuro[3,2-d]xanthen-6(2H)-one|paranolin
Lamuran
C21H25ClN2O3 (388.15536099999997)
Medioresil
(-)-medioresinol is a lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a lignan, a dimethoxybenzene, a furofuran and a polyphenol. Medioresinol is a natural product found in Catunaregam spinosa, Saussurea medusa, and other organisms with data available. A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the stems of Sinocalamus affinis. Medioresinol is a member of the class of compounds known as furanoid lignans. Furanoid lignans are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. Medioresinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Medioresinol can be found in a number of food items such as garden tomato (variety), common buckwheat, radish (variety), and black elderberry, which makes medioresinol a potential biomarker for the consumption of these food products.
CID 134715250
8-Epidiosbulbin E acetate is an organooxygen compound and an organic heterotricyclic compound. CID 134715250 is a natural product found in Dioscorea bulbifera with data available. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2]. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2].
cetirizine
C21H25ClN2O3 (388.15536099999997)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Cetirizine is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth.; A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.; Cetirizine hydrochloride is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4258; ORIGINAL_PRECURSOR_SCAN_NO 4255 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4282; ORIGINAL_PRECURSOR_SCAN_NO 4280 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4227; ORIGINAL_PRECURSOR_SCAN_NO 4225 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4251 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4259; ORIGINAL_PRECURSOR_SCAN_NO 4258 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4250 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8478; ORIGINAL_PRECURSOR_SCAN_NO 8477 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8516; ORIGINAL_PRECURSOR_SCAN_NO 8514 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8525; ORIGINAL_PRECURSOR_SCAN_NO 8524 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8560; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8566; ORIGINAL_PRECURSOR_SCAN_NO 8564 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8574; ORIGINAL_PRECURSOR_SCAN_NO 8573 CONFIDENCE standard compound; INTERNAL_ID 2124 CONFIDENCE standard compound; INTERNAL_ID 8582 CONFIDENCE standard compound; INTERNAL_ID 4110 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2772 Cetirizine, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist. Cetirizine marks antiallergic properties and inhibits eosinophil chemotaxis during the allergic response[1][2][3]. Levocetirizine ((R)-Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
nisoldipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate
methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
C17H24O10 (388.13694039999996)
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate
Secologanin
C17H24O10 (388.13694039999996)
Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2]. Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2].
C17H24O10_Phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C17H24O10 (388.13694039999996)
C18H28O9_Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)
C17H24O10_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,7R)
C17H24O10 (388.13694039999996)
Levocetirizine
C21H25ClN2O3 (388.15536099999997)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Levocetirizine ((R)-Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate
Hexose + C11H12O4
C17H24O10 (388.13694039999996)
Annotation level-2 Annotation level-3
Geniposide (Not validated)
C17H24O10 (388.13694039999996)
Annotation level-3
visnadine
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Origin: Plant, Coumarins, Chromans
methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate [IIN-based: Match]
C17H24O10 (388.13694039999996)
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848938]
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based on: CCMSLIB00000848748]
methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate [IIN-based on: CCMSLIB00000848585]
C17H24O10 (388.13694039999996)
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based: Match]
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based: Match]
[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate [IIN-based: Match]
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848936]
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate_major
2-[(8S,9R)-9-acetyloxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 3-methylbutanoate_major
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate_89.9\\%
Ala Ala Asn Asn
C14H24N6O7 (388.17063939999997)
Ala Asp Pro Ser
C15H24N4O8 (388.15940639999997)
Ala Asp Ser Pro
C15H24N4O8 (388.15940639999997)
Ala Gly Asn Gln
C14H24N6O7 (388.17063939999997)
Ala Gly Gln Asn
C14H24N6O7 (388.17063939999997)
Ala Asn Ala Asn
C14H24N6O7 (388.17063939999997)
Ala Asn Gly Gln
C14H24N6O7 (388.17063939999997)
Ala Asn Asn Ala
C14H24N6O7 (388.17063939999997)
Ala Asn Gln Gly
C14H24N6O7 (388.17063939999997)
Ala Pro Asp Ser
C15H24N4O8 (388.15940639999997)
Ala Pro Ser Asp
C15H24N4O8 (388.15940639999997)
Ala Gln Gly Asn
C14H24N6O7 (388.17063939999997)
Ala Gln Asn Gly
C14H24N6O7 (388.17063939999997)
Ala Ser Asp Pro
C15H24N4O8 (388.15940639999997)
Ala Ser Pro Asp
C15H24N4O8 (388.15940639999997)
Asp Ala Pro Ser
C15H24N4O8 (388.15940639999997)
Asp Ala Ser Pro
C15H24N4O8 (388.15940639999997)
Asp Gly Pro Thr
C15H24N4O8 (388.15940639999997)
Asp Gly Thr Pro
C15H24N4O8 (388.15940639999997)
Asp Pro Ala Ser
C15H24N4O8 (388.15940639999997)
Asp Pro Gly Thr
C15H24N4O8 (388.15940639999997)
Asp Pro Ser Ala
C15H24N4O8 (388.15940639999997)
Asp Pro Thr Gly
C15H24N4O8 (388.15940639999997)
Asp Ser Ala Pro
C15H24N4O8 (388.15940639999997)
Asp Ser Pro Ala
C15H24N4O8 (388.15940639999997)
Asp Thr Gly Pro
C15H24N4O8 (388.15940639999997)
Asp Thr Pro Gly
C15H24N4O8 (388.15940639999997)
Glu Gly Pro Ser
C15H24N4O8 (388.15940639999997)
Glu Gly Ser Pro
C15H24N4O8 (388.15940639999997)
Glu Pro Gly Ser
C15H24N4O8 (388.15940639999997)
Glu Pro Ser Gly
C15H24N4O8 (388.15940639999997)
Glu Ser Gly Pro
C15H24N4O8 (388.15940639999997)
Glu Ser Pro Gly
C15H24N4O8 (388.15940639999997)
Gly Ala Asn Gln
C14H24N6O7 (388.17063939999997)
Gly Ala Gln Asn
C14H24N6O7 (388.17063939999997)
Gly Asp Pro Thr
C15H24N4O8 (388.15940639999997)
Gly Asp Thr Pro
C15H24N4O8 (388.15940639999997)
Gly Glu Pro Ser
C15H24N4O8 (388.15940639999997)
Gly Glu Ser Pro
C15H24N4O8 (388.15940639999997)
Gly Gly Gln Gln
C14H24N6O7 (388.17063939999997)
Gly Asn Ala Gln
C14H24N6O7 (388.17063939999997)
Gly Asn Gln Ala
C14H24N6O7 (388.17063939999997)
Gly Pro Asp Thr
C15H24N4O8 (388.15940639999997)
Gly Pro Glu Ser
C15H24N4O8 (388.15940639999997)
Gly Pro Ser Glu
C15H24N4O8 (388.15940639999997)
Gly Pro Thr Asp
C15H24N4O8 (388.15940639999997)
Gly Gln Ala Asn
C14H24N6O7 (388.17063939999997)
Gly Gln Gly Gln
C14H24N6O7 (388.17063939999997)
Gly Gln Asn Ala
C14H24N6O7 (388.17063939999997)
Gly Gln Gln Gly
C14H24N6O7 (388.17063939999997)
Gly Ser Glu Pro
C15H24N4O8 (388.15940639999997)
Gly Ser Pro Glu
C15H24N4O8 (388.15940639999997)
Gly Thr Asp Pro
C15H24N4O8 (388.15940639999997)
Gly Thr Pro Asp
C15H24N4O8 (388.15940639999997)
Asn Ala Ala Asn
C14H24N6O7 (388.17063939999997)
Asn Ala Gly Gln
C14H24N6O7 (388.17063939999997)
Asn Ala Asn Ala
C14H24N6O7 (388.17063939999997)
Asn Ala Gln Gly
C14H24N6O7 (388.17063939999997)
Asn Gly Ala Gln
C14H24N6O7 (388.17063939999997)
Asn Gly Gln Ala
C14H24N6O7 (388.17063939999997)
Asn Asn Ala Ala
C14H24N6O7 (388.17063939999997)
Asn Gln Ala Gly
C14H24N6O7 (388.17063939999997)
Asn Gln Gly Ala
C14H24N6O7 (388.17063939999997)
Pro Ala Asp Ser
C15H24N4O8 (388.15940639999997)
Pro Ala Ser Asp
C15H24N4O8 (388.15940639999997)
Pro Asp Ala Ser
C15H24N4O8 (388.15940639999997)
Pro Asp Gly Thr
C15H24N4O8 (388.15940639999997)
Pro Asp Ser Ala
C15H24N4O8 (388.15940639999997)
Pro Asp Thr Gly
C15H24N4O8 (388.15940639999997)
Pro Glu Gly Ser
C15H24N4O8 (388.15940639999997)
Pro Glu Ser Gly
C15H24N4O8 (388.15940639999997)
Pro Gly Asp Thr
C15H24N4O8 (388.15940639999997)
Pro Gly Glu Ser
C15H24N4O8 (388.15940639999997)
Pro Gly Ser Glu
C15H24N4O8 (388.15940639999997)
Pro Gly Thr Asp
C15H24N4O8 (388.15940639999997)
Pro Ser Ala Asp
C15H24N4O8 (388.15940639999997)
Pro Ser Asp Ala
C15H24N4O8 (388.15940639999997)
Pro Ser Glu Gly
C15H24N4O8 (388.15940639999997)
Pro Ser Gly Glu
C15H24N4O8 (388.15940639999997)
Pro Thr Asp Gly
C15H24N4O8 (388.15940639999997)
Pro Thr Gly Asp
C15H24N4O8 (388.15940639999997)
Gln Ala Gly Asn
C14H24N6O7 (388.17063939999997)
Gln Ala Asn Gly
C14H24N6O7 (388.17063939999997)
Gln Gly Ala Asn
C14H24N6O7 (388.17063939999997)
Gln Gly Gly Gln
C14H24N6O7 (388.17063939999997)
Gln Gly Asn Ala
C14H24N6O7 (388.17063939999997)
Gln Gly Gln Gly
C14H24N6O7 (388.17063939999997)
Gln Asn Ala Gly
C14H24N6O7 (388.17063939999997)
Gln Asn Gly Ala
C14H24N6O7 (388.17063939999997)
Gln Gln Gly Gly
C14H24N6O7 (388.17063939999997)
Ser Ala Asp Pro
C15H24N4O8 (388.15940639999997)
Ser Ala Pro Asp
C15H24N4O8 (388.15940639999997)
Ser Asp Ala Pro
C15H24N4O8 (388.15940639999997)
Ser Asp Pro Ala
C15H24N4O8 (388.15940639999997)
Ser Glu Gly Pro
C15H24N4O8 (388.15940639999997)
Ser Glu Pro Gly
C15H24N4O8 (388.15940639999997)
Ser Gly Glu Pro
C15H24N4O8 (388.15940639999997)
Ser Gly Pro Glu
C15H24N4O8 (388.15940639999997)
Ser Pro Ala Asp
C15H24N4O8 (388.15940639999997)
Ser Pro Asp Ala
C15H24N4O8 (388.15940639999997)
Ser Pro Glu Gly
C15H24N4O8 (388.15940639999997)
Ser Pro Gly Glu
C15H24N4O8 (388.15940639999997)
Thr Asp Gly Pro
C15H24N4O8 (388.15940639999997)
Thr Asp Pro Gly
C15H24N4O8 (388.15940639999997)
Thr Gly Asp Pro
C15H24N4O8 (388.15940639999997)
Thr Gly Pro Asp
C15H24N4O8 (388.15940639999997)
Thr Pro Asp Gly
C15H24N4O8 (388.15940639999997)
Thr Pro Gly Asp
C15H24N4O8 (388.15940639999997)
Bepotastine
C21H25ClN2O3 (388.15536099999997)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Bepotastine is a selective and orally active second-generation histamine H1 receptor antagonist, can suppress the expression of nerve growth factor (NGF). Bepotastine has the potential for allergic rhinitis, allergic conjunctivitis and urticaria/pruritus research[1][2][3][4].
8-Hydroxy-4'-methoxypinoresinol
8-epidiosbulbin E acetate
MAMSA
(R)-Heraclenol 2'-(3-methylbutanoate)
b-D-Glucopyranosyl-11-hydroxyjasmonic acid
7-Epi-12-hydroxyjasmonic acid glucoside
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
9-Acetyl-O-isovaleroyldihydrooroselol
Tuberonic acid glucoside
Aranidipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C93038 - Cation Channel Blocker
2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-fluorophenyl)-N-(phenylmethyl)- (9CI)
5-Isopropyl-3-methyl 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
RS 67333 hydrochloride
C19H30Cl2N2O2 (388.16842199999996)
RS 67333 hydrochloride is a potent and selective 5-HT4 receptor (5-HT4R) partial agonist with a pKi of 8.7 in guinea-pig striatum. RS 67333 hydrochloride exhibits lower affinities at several other receptors including 5-HT1A, 5-HT1D, 5-HT2A, 5-HT2C, dopamine D1, D2 and muscarinic M1-M3 receptors. RS 67333 hydrochloride has neuroprotective effects, and can be used for Alzheimer's disease research[1].
1,2,4,6-Tetra-O-acetyl-3-O-allyl-beta-D-glucopyranose
C17H24O10 (388.13694039999996)
Sodium 1,4-bis(1,3-dimethylbutyl) sulfonatosuccinate
C16H29NaO7S (388.15316040000005)
SB269970 HCl
C18H29ClN2O3S (388.1587314000001)
SB-269970 hydrochloride is a potent, selective and brain-penetrant 5-HT7 receptor antagonist with a pKi of 8.3. SB-269970 hydrochloride exhibits >50-fold selectivity against other 5-HT receptors[1][2].
2-(4-BOC-PIPERAZINYL)-2-(3-TRIFLUOROMETHYL-PHENYL)ACETIC ACID
3-decyl-3-thiophen-2-yl-2-(2H-thiophen-5-ylidene)thiophene
3-Methyl-1-phenyl-4-pyridin-3-yl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one
R1487
METHANESULFONAMIDE,N-(1,4-DIHYDRO-2,4-DIOXO-2H-3,1-BENZOXAZIN-7-YL)-
CPI-613
C26170 - Protective Agent > C275 - Antioxidant Devimistat (CPI-613) is a mitochondrial metabolism inhibitor. Devimistat is a lipoic acid antagonist that abrogates mitochondrial energy metabolism to induce apoptosis in various cancer cells[1].
Ridinilazole
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
sodium 1,4-diisohexyl 2-sulphosuccinate
C16H29NaO7S (388.15316040000005)
4-(4-((4-Chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid
C21H25ClN2O3 (388.15536099999997)
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
C22H17FN4O2 (388.13354739999994)
6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
C22H20N4O3 (388.15353300000004)
3-[3-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
4-{[5-(Cyclohexyloxy)[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]amino}benzenesulfonamide
Cornin
C17H24O10 (388.13694039999996)
Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2]. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2].
9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 3-methylbutanoate
5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine
Cyclopentaneacetic acid, 2-[(2Z)-5-(beta-D-glucopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2S)-
6-amino-N-(1-anilino-1-oxopropan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]hexanamide
N,4-Dimethyl-N-{2-Oxo-2-[4-(Pyridin-2-Yl)piperazin-1-Yl]ethyl}benzene-1-Sulfonamide
C19H24N4O3S (388.15690340000003)
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
C17H24O10 (388.13694039999996)
1,3-Diethyl-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
C19H24N4O3S (388.15690340000003)
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone
C22H20N4O3 (388.15353300000004)
N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamide
C23H20N2O4 (388.14230000000003)
(E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
C20H24N2O4S (388.14567040000003)
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
C20H25FN4OS (388.17330119999997)
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-furancarboxamide
C22H20N4O3 (388.15353300000004)
1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea
2-(2,5-Dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
C23H20N2O4 (388.14230000000003)
3-(4-Chlorophenoxy)-4-[(3-methoxypropylamino)methyl]-1-(2-methylphenyl)-2-azetidinone
C21H25ClN2O3 (388.15536099999997)
N-(2-furanylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
C23H20N2O4 (388.14230000000003)
1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-piperidinecarboxamide
C19H24N4O3S (388.15690340000003)
2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(6-methyl-2-pyridinyl)acetamide
N-[4-[6-amino-5-cyano-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]phenyl]acetamide
C22H20N4O3 (388.15353300000004)
2-Anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
C23H20N2O4 (388.14230000000003)
1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(methoxyacetyl)amino]-l-iditol
(2S,5R,6R)-6-({5-[(4-aminophenyl)imino]pentylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C19H24N4O3S (388.15690340000003)
2-[(2S,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-[(4-fluorophenyl)methyl]acetamide
C17H25FN2O5S (388.14681320000005)
N-[[(2S,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
2-[(2R,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-[(4-fluorophenyl)methyl]acetamide
C17H25FN2O5S (388.14681320000005)
N-[[(2S,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
(1R,5S)-N-(4-fluorophenyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(1R,5S)-N-(2-fluorophenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
[2-(2-Acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate
methyl (4aR,7S,7aR)-7-methyl-5-oxo-1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
Verbenalin
C17H24O10 (388.13694039999996)
Verbenalin is a terpene glycoside. Verbenalin is a natural product found in Symplocos glauca, Cornus kousa, and other organisms with data available. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2]. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2].
Glyo-I
3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-methylpropyl) ester
2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
6beta-({5-[(p-aminophenyl)imino]pentylidene}amino)penicillanic acid
C19H24N4O3S (388.15690340000003)
Penicillanic acid carrying a (p-aminophenyl)imino]pentylidene}amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk.
EST73502 (monohydrochloride)
EST73502 monohydrochloride is a selective, orally active and blood-brain barrier (BBB) penetrant dual μ-opioid receptor (MOR) agonist and σ1 receptor (σ1R) antagonist, with Kis of 64 nM and 118 nM for MOR and σ1R, respectively. EST73502 monohydrochloride has antinociceptive activity[1].
GYKI 53655 (hydrochloride)
C19H21ClN4O3 (388.13021060000005)
GYKI 53655 (LY300168) hydrochloride is an α-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) antagonist.
PQCA
C22H20N4O3 (388.15353300000004)
PQCA is a highly selective and potent muscarinic M1 receptor positive allosteric modulator. PQCA has an EC50 value of 49 nM and 135 nM on rhesus and human M1 receptor, respectively. PQCA is inactive for other muscarinic receptors. PQCA has potential to reduce the cognitive deficits associated with Alzheimer's disease[1][2].
SSI-4
C19H21ClN4O3 (388.13021060000005)
SSI-4 is an inhibitor of Stearoyl CoA desaturase 1 (SCD1) , which can be modified with 11C, used as a ligand to in vivo small animal PET/CT imaging of SCD1[1].
(9s,10r)-10-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl (2s)-2-methylbutanoate
6-bromo-1-methyl-5-(3-methylbut-2-en-1-yl)-3a-(2-methylbut-3-en-2-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indole
3,15-dihydroxy-17-(methoxymethyl)-2,6,14-trimethyl-10-oxahexacyclo[7.7.1.0²,⁷.0³,¹⁵.0⁷,¹⁴.0¹³,¹⁷]heptadec-5-ene-4,11,16-trione
(3ar,8as)-6-bromo-1-methyl-5-(3-methylbut-2-en-1-yl)-3a-(2-methylbut-3-en-2-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indole
(2e)-3-[(7s)-7-{[(2s,4s)-2,4-dimethylhexanoyl]oxy}-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
(9s,10s)-10-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbutanoate
4-{[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy}furo[3,2-g]chromen-7-one
4-{2-[4-(acetyloxy)-3,5-dimethoxyphenyl]ethyl}-2-methoxyphenyl acetate
(2s,3r,4r,5r,6r)-2-(7-hydroxy-4-methoxy-9,10-dihydrophenanthren-2-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
(4s,11ar)-3-[(acetyloxy)methyl]-6,10-dimethyl-2,8-dioxo-4h,5h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
(8r,9s)-12-hexanoyl-4,8-dihydroxy-9-methyl-11-oxo-8-[(1e)-prop-1-en-1-yl]-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(12),2(6),4-triene-5-carbaldehyde
(2e)-1-{3-[(2s)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxy-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
(1s,3as,4r,6ar)-1-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-1h-furo[3,4-c]furan-3a-ol
10-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbutanoate
(1s,10s)-15-[(2r)-2,3-dihydroxy-3-methylbutyl]-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-5,10-diol
(1s,2s,12r,13r,16r)-2,4,13,16-tetrahydroxy-12-methyl-16-(3-methylbutyl)-15-oxatetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadeca-3,5,7,9-tetraene-11,14-dione
methyl (1s,4as,6s,7as)-6-hydroxy-7-methylidene-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
4-[(3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
methyl (1s,4ar,7ar)-7-(hydroxymethyl)-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
C17H24O10 (388.13694039999996)
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(2r,3r)-3-(hydroxymethyl)oxiran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triol
C17H24O10 (388.13694039999996)
(2e,4z,6e)-7-[2-hydroxy-3-(2,4,5-trihydroxyphenyl)cyclohex-2-en-1-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid
methyl (2r,3r,7s,8r,9r)-7,8-dihydroxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.1³,⁶]pentadeca-1(13),6(15),11-triene-12-carboxylate
2-(4-hydroxy-3,5-dimethoxyphenyl)-3,6-bis(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
C17H24O10 (388.13694039999996)
methyl (1s,6s)-6-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
4-[(2s,3r)-3-(hydroxymethyl)-5-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)oxiran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triol
C17H24O10 (388.13694039999996)
(2r,3ar,12as)-3a-hydroxy-8-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-methoxy-10-methyl-2h,3h-furo[3,2-e]xanthen-6-one
6,6,10,10-tetramethyl-2-phenyl-2,3-dihydro-1,5,9-trioxatriphenylen-4-one
(3e)-8,8-dimethyl-3-{[(4-methyl-5-oxo-2h-furan-2-yl)oxy]methylidene}-2-oxo-3ah,4h,5h,6h,7h,8bh-indeno[1,2-b]furan-4-yl acetate
4-[(2s)-2-hydroxy-2-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethoxy]furo[3,2-g]chromen-7-one
methyl (1s,4ar,6r,7ar)-6-hydroxy-7-methylidene-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
2-(1-hydroxycyclopropyl)-4-[(2e)-2-methyldec-2-enoyl]-5-oxooxolane-3-sulfonic acid
C18H28O7S (388.15556580000003)
(1s)-1-[(2s,3s)-3-(acetyloxy)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl (2z)-2-methylbut-2-enoate
(1s)-1-[(2s,3s)-3-(acetyloxy)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl (2e)-2-methylbut-2-enoate
3-(2,3,4-trimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
4-[(3,6-dihydroxy-3,7,7-trimethyloxepan-2-yl)methoxy]furo[3,2-g]chromen-7-one
8,8-dimethyl-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}pyrano[2,3-h]chromen-4-one
2-hydroxy-4-(2-hydroxy-4-methoxy-6-propylbenzoyloxy)-6-propylbenzoic acid
5-hydroxy-4-(methoxycarbonyl)-2,3-dimethylphenyl 3-hydroxy-5-methoxy-2,4,6-trimethylbenzoate
methyl (13s,14r)-13-hydroxy-6-methoxy-14-methyl-8-oxopentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-18-carboxylate
(1s,10s)-15-[(2s)-2,3-dihydroxy-3-methylbutyl]-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-5,10-diol
methyl (4s,5r,6s)-5-ethenyl-4-(2-oxoethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
C17H24O10 (388.13694039999996)
5-ethylidene-8-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,6h,8h-pyrano[3,4-c]pyran-1-one
C17H24O10 (388.13694039999996)
methyl (1s,4as,7r,7as)-7-methyl-6-oxo-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
(3as,4s,5s,11ar)-5-(acetyloxy)-6-formyl-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobut-3-en-1-yl 3-methylbutanoate
methyl (1r,2r,6s,7r,10s,13s)-13-(furan-3-yl)-6-methyl-11,15-dioxo-12,16-dioxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadecane-6-carboxylate
methyl (1s,4as,7r,7ar)-7-methyl-6-oxo-1-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
methyl 6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)