Exact Mass: 408.1485278
Exact Mass Matches: 408.1485278
Found 500 metabolites which its exact mass value is equals to given mass value 408.1485278,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Marmesin galactoside
Nodakenin is a furanocoumarin. Nodakenin is a natural product found in Hansenia forbesii, Rhodiola rosea, and other organisms with data available. Marmesin galactoside is found in herbs and spices. Marmesin galactoside is a constituent of Murraya koenigii (curry leaf tree). Constituent of Murraya koenigii (curry leaf tree). Marmesin galactoside is found in herbs and spices. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2]. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2].
Amlodipine
Amlodipine is a long-acting calcium channel blocker used as an anti-hypertensive and in the treatment of angina. As other calcium channel blockers, amlodipine acts by relaxing the smooth muscle in the arterial wall, decreasing peripheral resistance and hence improving blood pressure; in angina it improves blood flow to the myocardium. It was developed under the direction of Dr. Simon Campbell; A long acting dihydropyridine calcium channel blocker. It is effective in the treatment of angina pectoris and hypertension; in angina it improves blood flow to the myocardium.; Amlodipine (as besylate, mesylate or maleate) is a long-acting calcium channel blocker used as an anti hypertensive and in the treatment of angina. Amlodipine is marketed as Norvasc in North America and as Istin in the United Kingdom as well as under various other names. As other calcium channel blockers, amlodipine acts by relaxing the smooth muscle in the arterial wall, decreasing peripheral resistance and hence improving blood pressure; Amlodipine (as besylate, mesylate or maleate) is a long-acting calcium channel blocker used as an anti-hypertensive and in the treatment of angina. Amlodipine is marketed as Norvasc in North America and as Istin in the United Kingdom as well as under various other names. As other calcium channel blockers, amlodipine acts by relaxing the smooth muscle in the arterial wall, decreasing peripheral resistance and hence improving blood pressure; in angina it improves blood flow to the myocardium. It was developed under the direction of Dr. Simon Campbell. [HMDB] Amlodipine is a long-acting calcium channel blocker used as an anti-hypertensive and in the treatment of angina. As other calcium channel blockers, amlodipine acts by relaxing the smooth muscle in the arterial wall, decreasing peripheral resistance and hence improving blood pressure; in angina it improves blood flow to the myocardium. It was developed under the direction of Dr. Simon Campbell; A long acting dihydropyridine calcium channel blocker. It is effective in the treatment of angina pectoris and hypertension; in angina it improves blood flow to the myocardium. Amlodipine (as besylate, mesylate or maleate) is a long-acting calcium channel blocker used as an anti hypertensive and in the treatment of angina. Amlodipine is marketed as Norvasc in North America and as Istin in the United Kingdom as well as under various other names. As other calcium channel blockers, amlodipine acts by relaxing the smooth muscle in the arterial wall, decreasing peripheral resistance and hence improving blood pressure; Amlodipine (as besylate, mesylate or maleate) is a long-acting calcium channel blocker used as an anti-hypertensive and in the treatment of angina. Amlodipine is marketed as Norvasc in North America and as Istin in the United Kingdom as well as under various other names. As other calcium channel blockers, amlodipine acts by relaxing the smooth muscle in the arterial wall, decreasing peripheral resistance and hence improving blood pressure; in angina it improves blood flow to the myocardium. It was developed under the direction of Dr. Simon Campbell. 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials 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 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ginkgolide A
Ginkgolide A is found in fats and oils. Ginkgolide A is a bitter principle from Ginkgo biloba (ginkgo). Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
MK-329
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist Same as: D02693 Devazepide (L-364,718) is a potent, competitive, selective and orally active nonpeptide antagonist of cholecystokinin (CCK) receptor, with IC50s of 81 pM, 45 pM and 245 nM for rat pancreatic, bovine gallbladder and guinea pig brain CCK receptors, respectively. Devazepide (L-364,718) is effective for gastrointestinal disorders[1].
dapagliflozin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BK - Sodium-glucose co-transporter 2 (sglt2) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Nelociguat
A member of the class of pyrazolopyridines that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl and 4,6-diamino-5-[(methoxycarbonyl)amino]pyrimidin-2-yl groups at positions 1 and 3, respectively. It is an active metabolite of riociguat and a soluble guanylate cyclase stimulator developed by Bayer for the treatment of erectile dysfunction and heart failure. C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Wybutoxine
Wybutoxine is found in animal foods. Wybutoxine is a constituent of phenylalanine tRNA of beef, chicken, calf and rat livers. Constituent of phenylalanine tRNA of beef, chicken, calf and rat livers. Wybutoxine is found in animal foods.
9-Hydroxycalabaxanthone
9-Hydroxycalabaxanthone is found in fruits. 9-Hydroxycalabaxanthone is a constituent of Garcinia mangostana (mangosteen)
Torachrysone 8-glucoside
Torachrysone 8-glucoside is found in garden rhubarb. Torachrysone 8-glucoside is isolated from Rhei rhizoma. Isolated from Rhei rhizoma. Torachrysone 8-glucoside is found in green vegetables and garden rhubarb. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1]. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1].
Garcimangosone B
Garcimangosone B is found in fruits. Garcimangosone B is a constituent of the dry fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dry fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone B is found in fruits.
Bakkenolide D
C21H28O6S (408.16065080000004)
Constituent of Petasites japonicus (sweet coltsfoot). Bakkenolide D is found in giant butterbur and green vegetables. Bakkenolide D is found in giant butterbur. Bakkenolide D is a constituent of Petasites japonicus (sweet coltsfoot)
Mammea A/AC cyclo F
Mammea A/AC cyclo F is found in fruits. Mammea A/AC cyclo F is a constituent of Mammea americana (mamey). Constituent of Mammea americana (mamey). Mammea A/AC cyclo F is found in fruits.
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one is found in fruits. 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one is isolated from Mammea americana (mamey) seeds. Isolated from Mammea americana (mamey) seeds. 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one is found in fruits.
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid is found in fruits. 6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid is a constituent of the fruit hulls of Garcinia mangostana (mangosteen). Constituent of the fruit hulls of Garcinia mangostana (mangosteen). 6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid is found in fruits.
Melatonin glucuronide
C19H24N2O8 (408.15325839999997)
Melatonin glucuronide is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
(2R,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
2-(2-Aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester;benzenesulfonic acid
Clobetasone
C22H26ClFO4 (408.15035580000006)
Pasakbumin-A
Eurycomanone is a natural product found in Eurycoma longifolia with data available. Eurycomanone could increases spermatogenesis by inhibiting the activity of phosphodiesterase and aromatase in steroidogenesis.
Montirelin
Sabiporide
C18H19F3N6O2 (408.15215099999995)
3-[2-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
N-[4-(Benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
Tinnevellin glucoside
Tinnevellin glucoside is a natural product found in Senna alexandrina with data available.
Eurycomanone
A quassinoid isolated from Eurycoma longifolia and has been shown to exhibit antineoplastic and antimalarial activties. Eurycomanone is a natural product found in Eurycoma longifolia with data available. Eurycomanone could increases spermatogenesis by inhibiting the activity of phosphodiesterase and aromatase in steroidogenesis.
ginkgolide A
Bitter principle from Ginkgo biloba (ginkgo). Ginkgolide A is found in ginkgo nuts and fats and oils. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.715 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.712 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.714 Ginkgolide A is a highly active PAF antagonist cage molecule that is isolated from the leaves of the Ginkgo biloba tree. Shows potential in a wide variety of inflammatory and immunological disorders. ginkgolide-A is a natural product found in Ginkgo biloba and Machilus wangchiana with data available. See also: Ginkgo (part of). Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
Ginkgolide A
9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3,2:3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl- is a diterpene lactone. Ginkgolide A is a natural product found in Ginkgo biloba with data available. Ginkgolide A is found in fats and oils. Ginkgolide A is a bitter principle from Ginkgo biloba (ginkgo). Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
Tinnevellin
Tinnevellin glucoside is a natural product found in Senna alexandrina with data available.
5,3,4-Trihydroxybibenzyl 2-O-beta-D-glucopyranoside
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
OCHROCARPIN E
A furanocoumarin that is 2,3-dihydro-7H-furo[2,3-f]chromen-7-one substituted by a hydroxy group at position 4, a 2-hydroxypropan-2-yl group at position 2, a 2-methylpropanoyl group at position 5 and a phenyl group at position 9. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line.
1,2-Dihydro-5-hydroxy-2- (1-hydroxy-1-methylethyl) -4- (butyryl) -6-phenylfurano [ 2,3-h ] [ 1 ] benzopyran-8-one
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
SSR161421
CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4517; ORIGINAL_PRECURSOR_SCAN_NO 4515 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4526; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4486; ORIGINAL_PRECURSOR_SCAN_NO 4482 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4512; ORIGINAL_PRECURSOR_SCAN_NO 4511 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4511; ORIGINAL_PRECURSOR_SCAN_NO 4509 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4499; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8789 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8826; ORIGINAL_PRECURSOR_SCAN_NO 8825 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8842; ORIGINAL_PRECURSOR_SCAN_NO 8841 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8870; ORIGINAL_PRECURSOR_SCAN_NO 8865 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8884; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8898; ORIGINAL_PRECURSOR_SCAN_NO 8897 ORIGINAL_PRECURSOR_SCAN_NO 8897; CONFIDENCE standard compound; INTERNAL_ID 631; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8898
isoarnottinin 4-glucoside|isoarnottinin-4-O-beta-D-glucoside
10-Desoxy-adifolin|9-hydroxy-8-methyl-10-oxa-1,7b-diaza-8a,9,12a,13-tetrahydro-benzo[5,6]cyclohepta[1,2,3-jk]fluorene-2,12-dicarboxylic acid 12-methyl ester
(6aS)-6a-methyl-9-(2-methylbutyryl)-3-[(1S*,6S*)-6-methyl-2-oxocyclohex-3-enyl]-6aH-furo[2,3-h]isochromene-6,8-dione|multiformin B
2,2-Dimethyl-5,9-dihydroxy-8-(3-methyl-2-butenyl)-10-methoxy-2H,6H-pyrano[3,2-b]xanthene-6-one
7-(4-but-1-enyl-2,5-dioxo-2,5-dihydro-furan-3-ylmethyl)-4,5-dicarboxy-non-5-enoic acid
6-O-(4-Hydroxy-2-methylene-butyryl)-1-O-trans-cinnamoyl-??-D-glucopyranose|Spirarin
1,4-Dimethyl-3-[4-(3-methyl-2-butenyloxy)benzyl]-3,6-bis(methylthio)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
O-(3-Methyl-2-butenyl)-3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione
C20H28N2O3S2 (408.15412580000003)
2,2-Dimethyl-5,9-dihydroxy-8-methoxy-12-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-b]xanthene-6-one
1,5-dihydroxy-3-methoxy-4-(1,1-dimethylprop-2-enyl)-18,18-dimethyl-2H-pyrano[7,6-b]xanthen-9-one|pedunxanthone C
1-[2,4-Dihydroxy-3-(2-hydroxybenzyl)-6-methoxyphenyl]-3-(4-methoxyphenyl)-1-propanone
1-O-(3-methylbut-3-en-1-yl)-6-O-beta-D-xylopyranosyl-beta-D-glucopyranose|nonioside L
C17H28O11 (408.16315380000003)
(3S,4R)-4,2??5?-trihydroxy-6,7,8,3?,4?-pentamethoxyisoflavan|abruquinone G
6-O-(trans-cinnamoyl)-1-O-(3-methylfuran-2-on-4-yl)-beta-D-glucopyranose|6-O-(trans-Cinnamoyl)-1-O-(4-hydroxy-3-methylfuran-2-one)-??-D-glucopyranose
Garciniaxanthone F
An organic heteropentacyclic compound that is 6H-furo[3,2-c]xanthen-6-one substituted by hydroxy groups at positions 7 and 10, 2-methoxypropan-2-yl group at position 2 and a 2-methylbut-3-en-2-yl group at position 8. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity.
Bakkenolide D
C21H28O6S (408.16065080000004)
alpha-Hydroxy-3,5-dimethoxy-4-[alpha-(hydroxymethyl)-beta,4-dihydroxy-3-methoxyphenethyloxy]acetophenone
8-Me ether, 6-O-beta-D-glucopyranoside-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
Torachrysone8-O-glucoside
Torachrysone 8-O-Glucoside is a natural product found in Rheum palmatum, Rheum undulatum, and other organisms with data available. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1]. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1].
Ammajin
Marmesinin is a member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue. It has a role as a plant metabolite, a P450 inhibitor and an antioxidant. It is a beta-D-glucoside, a member of psoralens and a monosaccharide derivative. It is functionally related to a nodakenetin. Ammijin is a natural product found in Prangos tschimganica, Hansenia forbesii, and other organisms with data available. A member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue.
amlodipine
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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials 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 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 1544
Nodakenin
Nodakenin is a furanocoumarin. Nodakenin is a natural product found in Hansenia forbesii, Rhodiola rosea, and other organisms with data available. Marmesin galactoside is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Marmesin galactoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Marmesin galactoside can be found in herbs and spices, which makes marmesin galactoside a potential biomarker for the consumption of this food product. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2]. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2].
MLS001333651-01!Dehydroisoandrosterone 3-sulfate sodium salt hydrate1099-87-2
C19H29NaO6S (408.15824540000006)
8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
(1R,3R,6R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one_major
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione_major
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione_41.2\\%
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,?.0?,¹¹.0¹³,¹?]nonadecane-5,15,18-trione
Ala Cys Cys Ile
Ala Cys Cys Leu
Ala Cys Ile Cys
Ala Cys Leu Cys
Ala Asp Phe Gly
Ala Asp Gly Phe
Ala Phe Asp Gly
Ala Phe Gly Asp
Ala Gly Asp Phe
Ala Gly Phe Asp
Ala Gly Met Met
Ala Ile Cys Cys
Ala Leu Cys Cys
Ala Met Gly Met
Ala Met Met Gly
Cys Ala Cys Ile
Cys Ala Cys Leu
Cys Ala Ile Cys
Cys Ala Leu Cys
Cys Cys Ala Ile
Cys Cys Ala Leu
Cys Cys Ile Ala
Cys Cys Leu Ala
Cys Gly Met Val
Cys Gly Val Met
Cys Ile Ala Cys
Cys Ile Cys Ala
Cys Leu Ala Cys
Cys Leu Cys Ala
Cys Met Gly Val
Cys Met Val Gly
Cys Val Gly Met
Cys Val Met Gly
Asp Ala Phe Gly
Asp Ala Gly Phe
Asp Phe Ala Gly
Asp Phe Gly Ala
Asp Gly Ala Phe
Asp Gly Phe Ala
Asp Ser Ser Thr
C14H24N4O10 (408.14923639999995)
Asp Ser Thr Ser
C14H24N4O10 (408.14923639999995)
Asp Thr Ser Ser
C14H24N4O10 (408.14923639999995)
Glu Phe Gly Gly
Glu Gly Phe Gly
Glu Gly Gly Phe
Glu Gly Thr Cys
Glu Ser Ala Cys
Glu Ser Cys Ala
Glu Ser Ser Ser
C14H24N4O10 (408.14923639999995)
Glu Thr Cys Gly
Glu Thr Gly Cys
Phe Ala Asp Gly
Phe Ala Gly Asp
Phe Asp Ala Gly
Phe Asp Gly Ala
Phe Glu Gly Gly
Phe Gly Ala Asp
Phe Gly Asp Ala
Phe Gly Glu Gly
Phe Gly Gly Glu
Gly Ala Asp Phe
Gly Ala Phe Asp
Gly Ala Met Met
Gly Cys Glu Thr
Gly Cys Met Val
Gly Cys Thr Glu
Gly Cys Val Met
Gly Asp Ala Phe
Gly Asp Phe Ala
Gly Asp Met Ser
Gly Glu Cys Thr
Gly Glu Phe Gly
Gly Glu Gly Phe
Gly Glu Thr Cys
Gly Phe Ala Asp
Gly Phe Asp Ala
Gly Phe Glu Gly
Gly Phe Gly Glu
Gly Gly Glu Phe
Gly Gly Phe Glu
Gly Met Ala Met
Gly Met Cys Val
Gly Met Asp Ser
Gly Met Met Ala
Gly Met Ser Asp
Gly Met Val Cys
Gly Ser Asp Met
Gly Ser Met Asp
Gly Thr Cys Glu
Gly Thr Glu Cys
Gly Val Cys Met
Gly Val Met Cys
Ile Ala Cys Cys
Ile Cys Ala Cys
Ile Cys Cys Ala
Leu Ala Cys Cys
Leu Cys Ala Cys
Leu Cys Cys Ala
Met Ala Gly Met
Met Ala Met Gly
Met Cys Gly Val
Met Cys Val Gly
Met Gly Ala Met
Met Gly Cys Val
Met Gly Met Ala
Met Gly Val Cys
Met Met Ala Gly
Met Met Gly Ala
Met Val Cys Gly
Met Val Gly Cys
Ser Asp Ser Thr
C14H24N4O10 (408.14923639999995)
Ser Asp Thr Ser
C14H24N4O10 (408.14923639999995)
Ser Glu Ser Ser
C14H24N4O10 (408.14923639999995)
Ser Ser Asp Thr
C14H24N4O10 (408.14923639999995)
Ser Ser Glu Ser
C14H24N4O10 (408.14923639999995)
Ser Ser Ser Glu
C14H24N4O10 (408.14923639999995)
Ser Ser Thr Asp
C14H24N4O10 (408.14923639999995)
Ser Thr Asp Ser
C14H24N4O10 (408.14923639999995)
Ser Thr Ser Asp
C14H24N4O10 (408.14923639999995)
Thr Asp Ser Ser
C14H24N4O10 (408.14923639999995)
Thr Ser Asp Ser
C14H24N4O10 (408.14923639999995)
Thr Ser Ser Asp
C14H24N4O10 (408.14923639999995)
Val Cys Gly Met
Val Cys Met Gly
Val Gly Cys Met
Val Gly Met Cys
Val Met Cys Gly
Val Met Gly Cys
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-7-(sulfooxy)-, endo-
9-Hydroxycalabaxanthone
Garcimangosone B
6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid
Torachrysone 8-glucoside
Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1]. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1].
Wybutoxine
Marmesin galactoside
Clobetasone
C22H26ClFO4 (408.15035580000006)
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
6,8-Difluoro-1-(formylmethylamino)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester
C19H22F2N4O4 (408.16090360000004)
Levamlodipine
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 C93038 - Cation Channel Blocker
(2R,3R)-1-CARBOXY-4-IODO-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE,95
Montirelin
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C76367 - Thyrotropin-Releasing Hormone Analogue D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Boc-S-benzyl-L-cysteine N-hydroxysuccinimide ester
(1R,2S)-Ethyl 1-amino-2-vinylcyclopropanecarboxylate hemisulfate
2-amino-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid,hydrochloride
C16H29ClN4O4S (408.15979440000007)
3-[(dimethylvinylsilyl)oxy]-1,1,5,5-tetramethyl-3-phenyl-1,5-divinyltrisiloxane
[(1S,2S,6R)-5,6-diacetyloxy-1-hydroxy-2-(2-hydroxyethoxy)-1-cyclohex-3-enyl]methyl benzoate
bis[μ-[n,n-bis(1-methylethyl)-ethanimidamidato-κn:κn]]di-copper
11,12-Dihydro-11,12-diphenylindolo[2,3-a]carbazole
Triethylene glycol 4-methylbenzyl ether tosylate
C21H28O6S (408.16065080000004)
N-(TRIPHENYLPHOSPHORANYLIDENE)-1H-BENZOTRIAZOLE-1-METHANAMINE
N-[4-(Benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
Sabiporide
C18H19F3N6O2 (408.15215099999995)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
N-[3-[2-(1-cyclohexenyl)ethylamino]-2-quinoxalinyl]benzenesulfonamide
2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
Ginkgolid A
Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
Devazepide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist Devazepide (L-364,718) is a potent, competitive, selective and orally active nonpeptide antagonist of cholecystokinin (CCK) receptor, with IC50s of 81 pM, 45 pM and 245 nM for rat pancreatic, bovine gallbladder and guinea pig brain CCK receptors, respectively. Devazepide (L-364,718) is effective for gastrointestinal disorders[1].
N-[4-(dibutylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
C20H28N2O3S2 (408.15412580000003)
3-[5-[Bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester
2-[[3-(2,6-dimethyl-4-morpholinyl)-2-quinoxalinyl]thio]-N-phenylacetamide
N-[4-[[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide
2-(4-Fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester
2-(3,4-dimethoxyphenyl)-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
(2R,3R,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4R)-1-(benzenesulfonyl)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2R,3S,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
[(2R,3R)-6-[(2,5-difluorophenyl)methyl]-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C20H22F2N2O3S (408.1319126000001)
3-Ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyridine-3,5-dicarboxylate
(Z)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-naphthalen-2-ylprop-2-enamide
(2S)-2-[(2-aminoacetyl)amino]-N-[2-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyldisulfanyl]ethyl]propanamide
Dehydroisoandrosterone 3-sulfate sodium salt hydrate
C19H29NaO6S (408.15824540000006)
(1R,3R,6S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
(1R,3R,6S,8S,10R,11R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
8,9-Dihydro-8-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]-2H-furo[2,3-h]-1-benzopyran-2-one
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1),(1)(1).0(3),.0,(1)(1).0(1)(3),(1)]nonadecane-5,15,18-trione
2-(15-Ethyl-3,5,6,7-tetrahydroxy-16-methyl-8-oxo-14,17-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),10-trien-13-yl)acetic acid
5,9,14,18-Tetraoxo-5,6,7,8,9,14,15,16,17,18-decahydro-7,16-methanodinaphtho(2,3-A:23-F)cyclodecene
6,7,8,15,16,17-Hexahydro-7,16-methanocyclodeca[1,2-b:6,7-b]dinaphthalene-1,4,9,14-tetrone
(1R,3R,6R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1),(1)(1).0(3),.0,(1)(1).0(1)(3),(1)]nonadecane-5,15,18-trione
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one
LY2444296
LY2444296 is an orally bioavailable, high-affinity and selective short-acting kappa opioid receptor (KOPR) antagonist, with a Ki value of ～1 nM. LY2444296 exhibits anti-anxiety like effects[1][2].
RBC10
RBC10 is an anti-cancer agent. RBC10 inhibits the binding of Ral to its effector RALBP1. RBC10 also inhibits Ral-mediated cell spreading of murine embryonic fibroblasts and anchorage-independent growth of human cancer cell lines[1].
Tyrosylleucine (TFA)
Tyrosylleucine (Tyr-Leu, YL) TFA, an orally active dipeptide, exhibits a potent antidepressant-like activity[1].
1-(1-hydroxy-8-methoxy-3-methyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone
6-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
methyl (2r)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-5-oxo-3-phenylfuran-2-carboxylate
methyl 4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-5-oxo-3-phenylfuran-2-carboxylate
2-{2-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
8-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-1,11-dioxatetracen-6-one
3',6'-dimethyl-1h,1''h-dispiro[2-benzoxepine-3,2'-[1,4]dioxane-5',3''-[2]benzoxepine]-9,9''-diol
3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl 3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
5,9-dihydroxy-8-methoxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
8,8-dimethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h,10h-pyrano[2,3-h]chromen-2-one
1,5-dihydroxy-3-methoxy-6',6'-dimethyl-2h-pyrano(2',3':6,7)-4-(3-methylbut-2-enyl)xanthone
{"Ingredient_id": "HBIN001659","Ingredient_name": "1,5-dihydroxy-3-methoxy-6',6'-dimethyl-2h-pyrano(2',3':6,7)-4-(3-methylbut-2-enyl)xanthone","Alias": "NA","Ingredient_formula": "C24H24O6","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC3=C(C4=C(C=CC(O4)(C)C)C=C3C2=O)O)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5973","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-cis-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN012581","Ingredient_name": "6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-cis-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "C=C(CCO)C(=O)OCC1C(C(C(C(O1)OC(=O)C=CC2=CC=CC=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10489","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-trans-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN012582","Ingredient_name": "6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-trans-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "C=C(CCO)C(=O)OCC1C(C(C(C(O1)OC(=O)C=CC2=CC=CC=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10490","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(trans-cinnamoyl)-1-o-(4''-hydroxy-3''-methylfuran-2''-one)-β-d-glucopyranose
{"Ingredient_id": "HBIN012718","Ingredient_name": "6-o-(trans-cinnamoyl)-1-o-(4''-hydroxy-3''-methylfuran-2''-one)-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "CC1C(COC1=O)OC2C(C(C(C(O2)COC(=O)C=CC3=CC=CC=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-o-methylaloeresin
{"Ingredient_id": "HBIN013398","Ingredient_name": "7-o-methylaloeresin","Alias": "7-methoxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 7-O-Methylaloesin; AC1NSY7G","Ingredient_formula": "C20H24O9","Ingredient_Smile": "CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)OC","Ingredient_weight": "408.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16532","TCMID_id": "14122","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5319505","DrugBank_id": "NA"}
abruquinone g
{"Ingredient_id": "HBIN014258","Ingredient_name": "abruquinone g","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "COC1=C(C(=C2C(=C1)C(C(CO2)C3=CC(=C(C(=C3O)OC)OC)O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anhydromangostanol*
{"Ingredient_id": "HBIN016170","Ingredient_name": "anhydromangostanol*","Alias": "NA","Ingredient_formula": "C24H24O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1277","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bakkenolide d
C21H28O6S (408.16065080000004)
{"Ingredient_id": "HBIN017535","Ingredient_name": "bakkenolide d","Alias": "NA","Ingredient_formula": "C21H28O6S","Ingredient_Smile": "CC1CCC(C2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C)OC(=O)C=CSC","Ingredient_weight": "408.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2120","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137705098","DrugBank_id": "NA"}
(8s)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8h,9h-furo[2,3-h]chromen-2-one
1-(1-hydroxy-6-methoxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone
(1r,4r,5r,7r,8r,11r,13s,17s,18s,19r)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
(3r,6r)-1,4-dimethyl-3-[(4-{[(1e)-3-methylbut-1-en-1-yl]oxy}phenyl)methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
(2r,3ar,7ar)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl 3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
(2s,3r,4s,5s,6r)-2-{2-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2e)-3-phenylprop-2-enoyl]oxy}oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
1-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-2-hydroxyethanone
(2r)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(2-methylpropanoyl)-9-phenyl-2h,3h-furo[2,3-f]chromen-7-one
5,8-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
6-butanoyl-5,7-dihydroxy-8-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4-phenylchromen-2-one
(8s)-8-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
(1z,2r)-1-[(2r)-2-({4-[(1e)-but-1-en-1-yl]-2,5-dioxofuran-3-yl}methyl)butylidene]butane-1,2,4-tricarboxylic acid
5-hydroxy-4-methoxy-16,16-dimethyl-13-(3-methylbut-2-en-1-yl)-2,9,15-trioxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(11),3(8),4,6,12,14(19),17-heptaen-10-one
(2s,3r,4s,5s,6r)-2-({3',5'-dimethoxy-[1,1'-biphenyl]-4'-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.0²,⁴]octadeca-1(18),8,14,16-tetraene-7-carboxylate
(7r,8ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-7-yl acetate
1-(1-hydroxy-8-methoxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone
5,7-dihydroxy-6-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]-8-(2-methylpropanoyl)-4-phenylchromen-2-one
(2s)-2-{[(2s)-2-{[(2r)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxypropylidene]amino}butanedioic acid
2-({3',5'-dimethoxy-[1,1'-biphenyl]-4'-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(8s)-6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-phenyl-8h,9h-furo[2,3-h]chromen-2-one
8-butanoyl-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-4-phenylchromen-2-one
7-methoxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
5,9-dihydroxy-10-methoxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(2r,3r,3ar,4s,7s,7ar)-4-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-3-yl (2z)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
(2r,3r,3ar,4s,7s,7ar)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl (2z)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
(1r)-1-[(2s,4s,6s)-10-(acetyloxy)-11,12-dimethoxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-4-yl]propyl acetate
4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
(2s)-4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
5,10-dihydroxy-9-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-1,11-dioxatetracen-6-one
{3,4,5-trihydroxy-6-[(4-methyl-5-oxooxolan-3-yl)oxy]oxan-2-yl}methyl 3-phenylprop-2-enoate
7-methoxy-5-methyl-2-(2-oxopropyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(1r,4s,5s,9s,11s,14s,15s,19r)-5,15-dihydroxy-1-(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone
(2r,3r,3ar,4s,7s,7ar)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl (2e)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
(2s)-2-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
methyl (2r,4r,6s,8e,11s)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.0²,⁴]octadeca-1(18),8,14,16-tetraene-7-carboxylate
8-butanoyl-5,7-dihydroxy-6-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4-phenylchromen-2-one
5,15-dihydroxy-1-(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone
(2s,3s,4s,5s,6r)-2-{2-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
8-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
3,4',6-trimethoxy-4-(4-methoxyphenyl)-[1,1'-biphenyl]-2-yl acetate
methyl (2r,4r,8z,11s)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.0²,⁴]octadeca-1(18),8,14,16-tetraene-7-carboxylate
(3r,6s)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
(1r,6r,13r)-13-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
1,4-dimethyl-3-({4-[(3-methylbut-1-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
8,8-dimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h,10h-pyrano[2,3-h]chromen-2-one
(2r,3s)-3-[(1r,2s,3s,7s,8r,10r)-10-hydroxy-2,13-dimethyl-4,11-dioxo-5,9-dioxatetracyclo[6.5.1.0²,¹⁰.0³,⁷]tetradec-12-en-7-yl]-2-methylpentanedioic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2z)-3-phenylprop-2-enoyl]oxy}oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
13-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(3s,4s)-4-methyl-5-oxooxolan-3-yl]oxy}oxan-2-yl]methyl (2e)-3-phenylprop-2-enoate
(2r,3s)-3-[(1r,2r,3s,7s,8r,10r)-10-hydroxy-2,13-dimethyl-4,11-dioxo-5,9-dioxatetracyclo[6.5.1.0²,¹⁰.0³,⁷]tetradec-12-en-7-yl]-2-methylpentanedioic acid
(8r)-6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-phenyl-8h,9h-furo[2,3-h]chromen-2-one
5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dien-1-yl]-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-7-yl acetate
2,4',6-trimethoxy-4-(4-methoxyphenyl)-[1,1'-biphenyl]-3-yl acetate
6-(4-hydroxy-3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
{3,4,5-trihydroxy-6-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl}methyl 4-hydroxy-2-methylidenebutanoate
6,12-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-1,10-dioxatetraphen-5-one
(1r,4r,7r,11s,13r,18s,19s)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
(1s,4as,5r,7s,7as)-4a,5-dihydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydrocyclopenta[c]pyran-7-yl acetate
C17H28O11 (408.16315380000003)
(1r,3r,6s,8s,10r,11r,13s,16s,17r)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
methyl (2r,4r,6s,7r,8e,11s)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.0²,⁴]octadeca-1(18),8,14,16-tetraene-7-carboxylate
6-butanoyl-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-4-phenylchromen-2-one
7-hydroxy-8-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)chromen-2-one
4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-en-1-yl)phenyl]-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
22-hydroxy-10-methoxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3,9,11,14,16(21),19-heptaen-2-one
5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-7-yl acetate
8-(4-hydroxy-3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
4-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-3-yl 3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
5,9-dihydroxy-8-methoxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(2r,3s)-3-[(1r,3s,7s,8r,10r)-10-hydroxy-2,13-dimethyl-4,11-dioxo-5,9-dioxatetracyclo[6.5.1.0²,¹⁰.0³,⁷]tetradec-12-en-7-yl]-2-methylpentanedioic acid
5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylchromen-2-one
(3r,6r)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
(2s)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(2-methylpropanoyl)-9-phenyl-2h,3h-furo[2,3-f]chromen-7-one
8-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-7-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(9r)-8,8-dimethyl-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h,10h-pyrano[2,3-h]chromen-2-one
methyl (2r,4r,6s,7r,8z,11s)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.0²,⁴]octadeca-1(18),8,14,16-tetraene-7-carboxylate
7-hydroxy-8-[(2e)-3-methyl-4-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl]chromen-2-one
2-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
(1r,3r,6r,7s,8s,10s,11s,13s,16s,17r)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
(6as)-6a-methyl-3-[(1s,6s)-6-methyl-2-oxocyclohex-3-en-1-yl]-9-(2-methylbutanoyl)furo[2,3-h]isochromene-6,8-dione
(6as)-6a-methyl-3-[(1r,6r)-6-methyl-2-oxocyclohex-3-en-1-yl]-9-[(2r)-2-methylbutanoyl]furo[2,3-h]isochromene-6,8-dione
(3s,6r)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
(2r)-2-(2-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
7,12-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(1r,3r,6s,7s,8s,10r,11s,13s,16s,17r)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
7-hydroxy-8-[(2e)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl]chromen-2-one
1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)
6a-methyl-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9-(2-methylbutanoyl)furo[2,3-h]isochromene-6,8-dione
(2s)-4-hydroxy-6-[4-hydroxy-3-(2-methylprop-1-en-1-yl)phenyl]-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
(1s,3r,6r,7s,8s,10r,11s,13s,16r,17s)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
(2s,3s,3as,4r,7r,7as)-3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl (2e)-3-(methylsulfanyl)prop-2-enoate
C21H28O6S (408.16065080000004)
1-(2-{[4-(but-1-en-1-yl)-2,5-dioxofuran-3-yl]methyl}butylidene)butane-1,2,4-tricarboxylic acid
1-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-2-hydroxyethanone
(3s,6s)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
C20H28N2O3S2 (408.15412580000003)