Exact Mass: 388.1587
Exact Mass Matches: 388.1587
Found 500 metabolites which its exact mass value is equals to given mass value 388.1587,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cetirizine
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].
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.
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.
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
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
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].
5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine
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
3-O-Methyl 5-O-(2-methylpropyl) (4S)-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.
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
3beta-(5-acetoxyangeloyloxy)-6-methoxytremetone|3beta-<5-acetoxyangeloyloxy>-6-methoxytremetone
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
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 #
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
(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
(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
(-)-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
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
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
[(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
Levocetirizine
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
visnadine
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Origin: Plant, Coumarins, Chromans
[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]
[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
Ala Asp Pro Ser
Ala Asp Ser Pro
Ala Gly Asn Gln
Ala Gly Gln Asn
Ala Asn Ala Asn
Ala Asn Gly Gln
Ala Pro Asp Ser
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Asp Gly Thr Pro
Asp Pro Ala Ser
Asp Pro Gly Thr
Asp Pro Ser Ala
Asp Pro Thr Gly
Asp Ser Ala Pro
Asp Ser Pro Ala
Asp Thr Gly Pro
Asp Thr Pro Gly
Glu Gly Pro Ser
Glu Gly Ser Pro
Glu Pro Gly Ser
Glu Pro Ser Gly
Glu Ser Gly Pro
Glu Ser Pro Gly
Gly Asp Pro Thr
Gly Asp Thr Pro
Gly Glu Pro Ser
Gly Glu Ser Pro
Gly Pro Asp Thr
Gly Pro Glu Ser
Gly Pro Ser Glu
Gly Pro Thr Asp
Gly Ser Glu Pro
Gly Ser Pro Glu
Gly Thr Asp Pro
Gly Thr Pro Asp
Pro Ala Asp Ser
Pro Ala Ser Asp
Pro Asp Ala Ser
Pro Asp Gly Thr
Pro Asp Ser Ala
Pro Asp Thr Gly
Pro Glu Gly Ser
Pro Glu Ser Gly
Pro Gly Asp Thr
Pro Gly Glu Ser
Pro Gly Ser Glu
Pro Gly Thr Asp
Pro Ser Ala Asp
Pro Ser Asp Ala
Pro Ser Glu Gly
Pro Ser Gly Glu
Pro Thr Asp Gly
Pro Thr Gly Asp
Ser Ala Asp Pro
Ser Ala Pro Asp
Ser Asp Ala Pro
Ser Asp Pro Ala
Ser Glu Gly Pro
Ser Glu Pro Gly
Ser Gly Glu Pro
Ser Gly Pro Glu
Ser Pro Ala Asp
Ser Pro Asp Ala
Ser Pro Glu Gly
Ser Pro Gly Glu
Thr Asp Gly Pro
Thr Asp Pro Gly
Thr Gly Asp Pro
Thr Gly Pro Asp
Thr Pro Asp Gly
Thr Pro Gly Asp
Bepotastine
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
(R)-Heraclenol 2'-(3-methylbutanoate)
9-Acetyl-O-isovaleroyldihydrooroselol
2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-fluorophenyl)-N-(phenylmethyl)- (9CI)
RS 67333 hydrochloride
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].
Sodium 1,4-bis(1,3-dimethylbutyl) sulfonatosuccinate
SB269970 HCl
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
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].
4-(4-((4-Chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid
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
3-[3-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
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
N,4-Dimethyl-N-{2-Oxo-2-[4-(Pyridin-2-Yl)piperazin-1-Yl]ethyl}benzene-1-Sulfonamide
1,3-Diethyl-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-furancarboxamide
1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea
3-(4-Chlorophenoxy)-4-[(3-methoxypropylamino)methyl]-1-(2-methylphenyl)-2-azetidinone
1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-piperidinecarboxamide
N-[4-[6-amino-5-cyano-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]phenyl]acetamide
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
2-[(2S,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2R,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-[(4-fluorophenyl)methyl]acetamide
(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
[2-(2-Acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate
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
6beta-({5-[(p-aminophenyl)imino]pentylidene}amino)penicillanic acid
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.
PQCA
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].
(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
4-[(3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
(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
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,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
2-(1-hydroxycyclopropyl)-4-[(2e)-2-methyldec-2-enoyl]-5-oxooxolane-3-sulfonic acid
(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
(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
(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
1-(4-hydroxy-3-methoxyphenyl)-2-[(2r,4r,5r)-4-hydroxy-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]ethanone
2-ethylidene-3-{[3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-en-1-yl]oxy}-3-oxopropyl 2-methylbut-2-enoate
4'-[hydroxy(oxiran-2-yl)methyl]-5-(3-hydroxyprop-1-en-1-yl)-2',3,6'-trimethoxy-[1,1'-biphenyl]-2-ol
(2r,3r)-5'-methoxyguayarol
{"Ingredient_id": "HBIN006444","Ingredient_name": "(2r,3r)-5'-methoxyguayarol","Alias": "NA","Ingredient_formula": "C21H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13938","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(3,4-methylenedioxybenzyl)butane-1,4-diol
{"Ingredient_id": "HBIN006699","Ingredient_name": "(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(3,4-methylenedioxybenzyl)butane-1,4-diol","Alias": "NA","Ingredient_formula": "C21H24O7","Ingredient_Smile": "COC1=CC(=CC2=C1OCO2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14003","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-epidiosbulbin E acetate
{"Ingredient_id": "HBIN013718","Ingredient_name": "8-epidiosbulbin E acetate","Alias": "NA","Ingredient_formula": "C21H24O7","Ingredient_Smile": "CC(=O)OC1CC2C(=O)OC(CC2(C3C1C4CC(C3)OC4=O)C)C5=COC=C5","Ingredient_weight": "388.4 g/mol","OB_score": "15.32886502","CAS_id": "NA","SymMap_id": "SMIT10861","TCMID_id": "NA","TCMSP_id": "MOL009777","TCM_ID_id": "NA","PubChem_id": "139035029","DrugBank_id": "NA"}
ailantinol e
{"Ingredient_id": "HBIN014944","Ingredient_name": "ailantinol e","Alias": "NA","Ingredient_formula": "C21H24O7","Ingredient_Smile": "CC1=CC(=O)C2(C3(C14CC5C6(C3C(=O)C2(C4(C6CC(=O)O5)C)O)COC)C)O","Ingredient_weight": "388.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "778","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101236717","DrugBank_id": "NA"}
arnebin ii
{"Ingredient_id": "HBIN016864","Ingredient_name": "arnebin ii","Alias": "NA","Ingredient_formula": "C21H24O7","Ingredient_Smile": "CC(C)CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C","Ingredient_weight": "388.41","OB_score": "NA","CAS_id": "36883-11-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6639","PubChem_id": "71437354","DrugBank_id": "NA"}
β-hydroxyisovalerylshikonin
{"Ingredient_id": "HBIN018159","Ingredient_name": "\u03b2-hydroxyisovalerylshikonin","Alias": "beta-hydroxyisovalerylshikonin; beta-hydro-xyisovalerylshikonin","Ingredient_formula": "C21H24O7","Ingredient_Smile": "CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)O)C","Ingredient_weight": "388.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15866;SMIT02274;SMIT02452","TCMID_id": "23276;10265;24746","TCMSP_id": "NA","TCM_ID_id": "6278","PubChem_id": "479502","DrugBank_id": "NA"}
