Exact Mass: 342.1831
Exact Mass Matches: 342.1831
Found 500 metabolites which its exact mass value is equals to given mass value 342.1831,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Magnoflorine
(S)-magnoflorine is an aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group. It has a role as a plant metabolite. It is an aporphine alkaloid and a quaternary ammonium ion. It is functionally related to a (S)-corytuberine. Magnoflorine is a natural product found in Zanthoxylum myriacanthum, Fumaria capreolata, and other organisms with data available. See also: Caulophyllum thalictroides Root (part of).
Phellodendrine
Phellodendrine is an alkaloid. Phellodendrine is a natural product found in Phellodendron chinense, Phellodendron chinense var. glabriusculum, and other organisms with data available.
Disoxaril
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Penicillin K
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone is found in herbs and spices. 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone is from Alpinia officinarum (lesser galangal
Jasmolone glucoside
Jasmolone glucoside is found in herbs and spices. Jasmolone glucoside is a constituent of Mentha spicata var. crispa (spearmint). Constituent of Mentha spicata variety crispa (spearmint). Jasmolone glucoside is found in tea and herbs and spices.
2,3-Dinor-TXB2
Fatty Acyl-Eicosanoid - metabolite of thromboxane. Found to be excreted via urinary tract at a higher level in diabetic rats. A study demonstrates that thromboxane as well as prostacyclin biosynthesis is increased in 2 murine models of atherogenesis and is secondary to increased in vivo platelet activation. Assessment of their generation in these models may afford the basis for future studies on the functional role of these eicosanoids in the evolution and progression of atherosclerosisThromboxanes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Fatty Acyl-Eicosanoid - metabolite of thromboxane. Found to be excreted via urinary tract at a higher level in diabetic rats. A study demonstrates that thromboxane as well as prostacyclin biosynthesis is increased in 2 murine models of atherogenesis and is secondary to increased in vivo platelet activation. Assessment of their generation in these models may afford the basis for future studies on the functional role of these eicosanoids in the evolution and progression of atherosclerosis
(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid
(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid is found in fruits. (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid is isolated from the seeds of Sambucus nigra (elderberry). Isolated from the seeds of Sambucus nigra (elderberry). (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid is found in fruits.
2,3-Dinor-6-keto-prostaglandin F1 a
2,3-dinor-6-keto-prostaglandin F1 alpha is a major urinary prostacyclin metabolite, and is significantly higher in 9 patients with severe atherosclerosis and evidence of platelet activation. Prostacyclin is a potent vasodilator and platelet inhibitor produced by vascular endothelium. Endogenous production of prostacyclin under physiologic conditions is extremely low, far below the capacity of vascular tissue to generate this substance in response to stimulation in vitro. This may reflect a low frequency or intensity of stimulation of prostacyclin production. PGI2 synthase (PGIS), a catalyst of PGI2 formation from prostaglandin H2, is widely distributed and predominantly found in vascular endothelial and smooth muscle cells. PGI2 plays an important cardioprotective role increasingly appreciated in recent years in light of adverse effects of COX-2 inhibitors in clinical trials. This cardioprotection is thought to be mediated, in part, by prostacyclin inhibition of platelet aggregation. Multiple lines of evidence suggest that prostacyclin additionally protects from cardiovascular disease by pleiotropic effects on vascular smooth muscle. PGI2 inhibits proliferation of cultured vascular SMCs by inhibiting cell cycle progression from G1 to S phase. (PMID: 6231483, 7000774, 6231483, 16303599, 16533160, 17073611, 17164138)Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 2,3-dinor-6-keto-prostaglandin F1 alpha is a major urinary prostacyclin metabolite, and is significantly higher in 9 patients with severe atherosclerosis and evidence of platelet activation. Prostacyclin is a potent vasodilator and platelet inhibitor produced by vascular endothelium. Endogenous production of prostacyclin under physiologic conditions is extremely low, far below the capacity of vascular tissue to generate this substance in response to stimulation in vitro. This may reflect a low frequency or intensity of stimulation of prostacyclin production. PGI2 synthase (PGIS), a catalyst of PGI2 formation from prostaglandin H2, is widely distributed and predominantly found in vascular endothelial and smooth muscle cells. PGI2 plays an important cardioprotective role increasingly appreciated in recent years in light of adverse effects of COX-2 inhibitors in clinical trials. This cardioprotection is thought to be mediated, in part, by prostacyclin inhibition of platelet aggregation. Multiple lines of evidence suggest that prostacyclin additionally protects from cardiovascular disease by pleiotropic effects on vascular smooth muscle. PGI2 inhibits proliferation of cultured vascular SMCs by inhibiting cell cycle progression from G1 to S phase. (PMID: 6231483, 7000774, 6231483, 16303599, 16533160, 17073611, 17164138)
Monic acid
Monic acid is a metabolite of mupirocin. Mupirocin (Bactroban or Centany) is an antibiotic originally isolated from Pseudomonas fluorescens NCIMB 10586, developed by Beecham. Mupirocin is bacteriostatic at low concentrations and bactericidal at high concentrations. It is used topically and is effective against Gram-positive bacteria, including MRSA. Mupirocin is a mixture of several pseudomonic acids, with pseudomonic acid A (PA-A) constituting greater than 90\\% of the mixture. (Wikipedia) No systemic absorption of mupirocin or its major metabolite, monic acid, has been detected in short courses of topical administration to healthy volunteers or to patients with epidermolysis bullosa after prolonged courses of therapy with Bactroban ointment. (PMID: 2112164)
2,3-dinor-6-oxoprostaglandin F1alpha
2,3-dinor-6-oxoprostaglandin F1alpha is also known as 2,3-Dinor-6-keto-PGF1alpha or 2,3-DKPGF1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is considered to be practically insoluble (in water) and acidic. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized from prostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized into 19-hydroxy-2,3-dinor-6-oxoprostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is an eicosanoid lipid molecule
(2R,4S,5R)-5-Ethyl-2-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol
2,3-Dinor-6,15-dioxo-13,14-dihydroprostaglandin F1alpha
(Z)-5-((2R,3S,4S,6R)-4,6-Dihydroxy-2-((S,E)-3-hydroxyoct-1-enyl)tetrahydro-2H-pyran-3-yl)pent-3-enoic acid
5-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid
Malabaricone B
Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3]. Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3].
Penicillin K
Prostaglandin F-main urinary metabolite
N-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-7-yl]methyl]piperidin-4-amine
N-[Diaminophosphoryloxy-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine
3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
magnoflorine
Magnoflorine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Magnoflorine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Magnoflorine can be found in a number of food items such as carob, other cereal product, durian, and japanese chestnut, which makes magnoflorine a potential biomarker for the consumption of these food products. Magnoflorine is a chemical compound isolated from the rhizome of Sinomenium acutum and from Pachygone ovata. It is classified as an aporphine alkaloid .
Malabaricone B
Malabaricone B is a natural product found in Myristica maingayi, Myristica gigantea, and other organisms with data available. Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3]. Malabaricone B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=63335-24-0 (retrieved 2024-10-09) (CAS RN: 63335-24-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Canniprene
Canniprene is a natural product found in Cannabis sativa with data available.
[4S-[4alpha(E),4aalpha,5alpha]]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Cyclanoline
A charged berberine alkaloid obtained by N-methylation of (S)-scoulerine.
12-HYDROXY-13-(HYDROXYMETHYL)-3,5,7-TRIMETHYLTETRADECA-2,4-DIENEDIOIC ACID
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-2,3,17beta-triol
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,4,17beta-triol
3a-(3,4-dimethoxy-phenyl)-1-methyl-1,2,3,3a,4,5,6,8,9,9b-decahydro-pyrrolo[2,3-f]quinolin-7-one
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,16beta,17beta-triol
4-Methyl-5,5-<(1-methyltrimethylen)di>(methylnicotinate)|4-Methyl-5,5-[(1-methyltrimethylen)di](methylnicotinate)|Alkaloid LA 4
12-methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol
7beta,19-dihydroxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone
2-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,11beta,17beta-triol
(4E)-1,5-bis(4-hydroxyphenyl)-1-ethoxy-2-(methoxymethyl)-4-pentene
3,5-bis-(3,3-dimethylallyl)-coumaric acid acetate|3,5-bis-<3,3-dimethylallyl>-coumaric acid acetate
(1S,4S)-1,3,4,6-tetrahydro-3,6-dioxo-1-(2-methylpropyl)-2H-pyrazino[2,1-b]quinazoline-4-propanamide|anacine|anacine A
16beta,17beta-epoxy-12beta-hydroxypregna-4,6-diene-3,20-dione
dihydroconiferyl alcohol 4-O-beta-D-glucopyranoside
(4S,5S)-4-(5-carboxylundecyl)-1-oxo-tetrahydrofuran-4-carboxylic acid methyl ester|spiculisporic acid C
2-(1-carboxydodecyl)-5-oxooxolane-2-carboxylic acid
(11beta,20S)-11,20-Dihydroxy-3-oxopregna-1,4-dien-18-oic acid 18,20-lactone
17-methoxy-18,19-dinor-corynox-16-ene-16-carboxylic acid methyl ester|Rhynchophyllin
15-carboxamido-3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine
all-trans-crocetin-monomethyl ester|alpha-Crocetinmonomethylester|crocetin monomethyl ester
2-glucopyranosyl-4-(4-methoxyphenyl)butane|4-(4-methopxyphenyl)-butane-2-O-beta-D-glucopyranoside|[(Xi)-3-(4-Methoxy-phenyl)-1-methyl-propyl]-beta-D-glucopyranosid|[(Xi)-3-(4-methoxy-phenyl)-1-methyl-propyl]-beta-D-glucopyranoside
Neotriptophenolide
Neotriptophenolide is a tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum It has a role as a plant metabolite. It is a gamma-lactone, an aromatic ether, a member of phenols, an organic heterotetracyclic compound and a tetracyclic triterpenoid. Neotriptophenolide is a natural product found in Tripterygium hypoglaucum and Tripterygium wilfordii with data available. A tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum
3,5-Dimethyl-4-[(3-methylbutyryloxy)methyl]-9-methoxy-5,6-dihydronaphtho[2,3-b]furan
(Z)-5-hydroxyjasmone 5-O-beta-D-glucopyranoside|(Z)-5-Hydroxyjasmone 5-O-??-D-glucopyranoside
6-O-(5-Vinylnicotinoyl)tetrahydrocantleyine|O-(vinyl-5-nicotinoyl)-6-tetrahydrocantleyine
Humantendine
beta-Crocetin
beta-Crocetin is a natural product found in Crocus sativus with data available.
11-Dehydroxygrevilloside B
MLS002153308-01!Tetraisopropyl pyrophosphoramide513-00-8
9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
Magnoflorine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
C21H26O4_4-Allyl-1-{[1-(3,4-dimethoxyphenyl)-2-propanyl]oxy}-2-methoxybenzene
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based: Match]
Ala Gly Pro Val
Ala Gly Val Pro
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Gly Ala Pro Val
Gly Ala Val Pro
Gly Gly Ile Pro
Gly Gly Leu Pro
Gly Gly Pro Ile
Gly Gly Pro Leu
Gly Ile Gly Pro
Gly Ile Pro Gly
Gly Leu Gly Pro
Gly Leu Pro Gly
Gly Pro Ala Val
Gly Pro Gly Ile
Gly Pro Gly Leu
Gly Pro Ile Gly
Gly Pro Leu Gly
Gly Pro Val Ala
Gly Val Ala Pro
Gly Val Pro Ala
Ile Gly Gly Pro
Ile Gly Pro Gly
Ile Pro Gly Gly
Leu Gly Gly Pro
Leu Gly Pro Gly
Leu Pro Gly Gly
Pro Ala Gly Val
Pro Ala Val Gly
Pro Gly Ala Val
Pro Gly Gly Ile
Pro Gly Gly Leu
Pro Gly Ile Gly
Pro Gly Leu Gly
Pro Gly Val Ala
Pro Ile Gly Gly
Pro Leu Gly Gly
Pro Val Ala Gly
Pro Val Gly Ala
Val Ala Gly Pro
Val Ala Pro Gly
Val Gly Ala Pro
Val Gly Pro Ala
Val Pro Ala Gly
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2,3-Dinor-TXB2
Jasmolone glucoside
(2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
(R)-benzyl 1-(benzylamino)-3-Methoxy-1-oxopropan-2-ylcarbamate
Sensorcaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
3,4-dihydroxy-4-[(3E,6E)-tetradeca-3,6-dienoyl]oxybutanoic acid
YM 298198 HYDROCHLORIDE
oxyphenbutazone hydrate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Cilostamide
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
tert-butyl 4-(2-oxospiro[cyclopropane-1,3-indole]-1-yl)piperidine-1-carboxylate
1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline
1H-Indole-1,5-dicarboxylic acid, 3-(1-cyano-1-methylethyl)-, 1-(1,1-dimethylethyl) 5-methyl ester
4-ANILINO-1-BENZOYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
ethenyl acetate,4-ethyl-2-methylideneoctanoic acid,prop-2-enoic acid
(S)-3-(BENZYL(METHYL)AMINO)-2-(BENZYLOXYCARBONYLAMINO)PROPANOIC ACID
1,1,3,3-tetramethyl-1,3-di(2-phenylethyl) disiloxane
(6α,9β,11β)-9,11-Epoxy-6-fluoropregna-1,4,16-triene-3,20-dione
(3-((4-(HEPTYLOXY)PHENOXY)METHYL)PHENYL)BORONIC ACID
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide
butyl 2-methylprop-2-enoate,ethyl prop-2-enoate,methyl 2-methylprop-2-enoate
N,N,N,N-tetraisopropyldiphosphoramide
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
1-(FURAN-2-YLMETHYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
2-(4-benzyl-1-piperazinyl)-N-[(E)-2-thienylmethylidene]acetohydrazide
1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine
(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
(8R,9S,13S,14S)-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
2,3-Dinor-6,15-dioxo-13,14-dihydroprostaglandin F1alpha
magnoflorine
Magnoflorine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Magnoflorine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Magnoflorine can be found in a number of food items such as carob, other cereal product, durian, and japanese chestnut, which makes magnoflorine a potential biomarker for the consumption of these food products. Magnoflorine is a chemical compound isolated from the rhizome of Sinomenium acutum and from Pachygone ovata. It is classified as an aporphine alkaloid . Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
Pavine(1+)
An organic cation obtained by protonation of the amino function of pavine; major species at pH 7.3.
(1R,9R)-4,5,12,13-tetramethoxy-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
(1S,9S)-4,5,12,13-tetramethoxy-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
(Z)-5-((2R,3S,4S,6R)-4,6-Dihydroxy-2-((S,E)-3-hydroxyoct-1-enyl)tetrahydro-2H-pyran-3-yl)pent-3-enoic acid
5-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid
[3-Carboxy-2-(7-carboxy-3,4-dimethylideneheptanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(7-carboxy-2,3-dimethylideneheptanoyl)oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E)-9-carboxynona-5,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-9-carboxynona-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,8E)-9-carboxynona-3,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,8E)-9-carboxynona-2,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E)-9-carboxynona-4,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-9-carboxynona-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-9-carboxynona-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,8E)-9-carboxynona-4,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,7E)-9-carboxynona-3,7-dienoyl]oxypropyl]-trimethylazanium
(E)-5-[3,5-dihydroxy-2-(8-hydroxy-3-oxooctyl)cyclopentyl]pent-3-enoic acid
12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid
N-[(2S)-3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide
4-(Dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
1-Phenylethanone (5-allyl-6-methyl-2-phenyl-4-pyrimidinyl)hydrazone
1-(1,3-Benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea
8-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
1-(1-Piperidinyl)-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]ethanone
7-(2-Methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methoxyphenyl)methylamino]propanamide
N-[4-methyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
(9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoic acid
(4S,7R)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4S,7S)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S,8S)-8-(phenylmethyl)-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(4R,7R)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7S)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5R,8R)-8-(phenylmethyl)-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-[hydroxy-[(2R)-3-hydroxy-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine
2-[(3-Hexoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-pentanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
DISOXARIL
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
2,3-dinor-6-oxoprostaglandin F1alpha
A prostanoid that is prostaglandin F1alpha lacking two methylenes in the carboxyalkyl chain and bearing an oxo group at the 6-position.
TMC-86A
An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-butanoyl-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces.
7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7, a methoxy group at position 5 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic and inhibitory activity against prostaglandin biosynthesis.
3,3-Neotrehalosadiamine(2+)
An organic cation obtained by protonation of the two amino groups of 3,3-neotrehalosadiamine.
(S)-magnoflorine
An aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group.
4-[1-ethoxy-5-(4-hydroxyphenyl)-2-(methoxymethyl)pent-4-en-1-yl]phenol
(1's,3s,11's)-6'-ethyl-11'-hydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
2'-(2-hydroxypropyl)-1-methyl-10'-oxa-8'-azaspiro[indole-3,5'-tricyclo[5.4.0.0⁴,⁸]undecan]-2-one
(9r)-3,4-dihydroxy-15,16-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium
(1r,2s,4s,6r,7r,8r,10s,11r)-6-acetyl-8-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.0²,⁷.0⁴,⁶.0¹¹,¹⁶]octadeca-15,17-dien-14-one
(1r,9r,10s,12r,13s,14r,16s,17s,18r)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-6,14,18-triol
methyl 7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-hexahydroindene-4-carboxylate
(1s,3as,3br,9ar,9bs,11as)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h-cyclopenta[a]phenanthrene-7,11-dione
(3br,9bs)-9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3h,3bh,4h,5h,10h,11h-phenanthro[1,2-c]furan-1-one
(5s)-5-[(3-hydroxy-4-methoxyphenyl)methyl]-6,6-dimethyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
3-[4-(acetyloxy)-3,5-bis(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3h,3bh,4h,5h,10h,11h-phenanthro[1,2-c]furan-1-one
[(5s)-9-methoxy-3,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-4-yl]methyl (2z)-2-methylbut-2-enoate
3a-(3,4-dimethoxyphenyl)-1-methyl-2h,3h,4h,5h,8h,9h,9bh-pyrrolo[2,3-f]quinolin-7-ol
(3ar,9ar)-3,3-dimethyl-8-(methylamino)-2-(3-oxobutanoyl)-3ah,4h,9ah-benzo[f]isoindole-1,9-dione
3-[(1s,4s)-1-[(2s)-butan-2-yl]-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]propanimidic acid
(2s,3s,4s,5s,6s)-2-{[(2s,3s,4r,5s)-1,4-diamino-2,5,6-trihydroxyhexan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(5s)-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl 3-methylbutanoate
(9r,12r,13s,14r,16s,17s,18r)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-6,14,18-triol
(2e,4s)-4-[(2s,3s,4r,5s,6s,8r,9s,10r)-4,10-dihydroxy-3,5,8,9-tetramethyl-1,7-dioxaspiro[5.5]undecan-2-yl]pent-2-enoic acid
methyl (4r,4ar,5r,11bs)-5-hydroxy-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate
methyl 4,7,11b-trimethyl-9-oxo-1h,2h,3h,4ah,5h,6h,8h-phenanthro[3,2-b]furan-4-carboxylate
(1's,2'r,4's,7's)-2'-[(2s)-2-hydroxypropyl]-1-methyl-10'-oxa-8'-azaspiro[indole-3,5'-tricyclo[5.4.0.0⁴,⁸]undecan]-2-one
1,6a,11-trihydroxy-2,10-dimethoxy-6,6-dimethyl-7-oxo-5,6,6a,7-tetrahydro-4H-Dibenzo[de,g] quinolinium
{"Ingredient_id": "HBIN001780","Ingredient_name": "1,6a,11-trihydroxy-2,10-dimethoxy-6,6-dimethyl-7-oxo-5,6,6a,7-tetrahydro-4H-Dibenzo[de,g] quinolinium","Alias": "NA","Ingredient_formula": "C20H24NO4+","Ingredient_Smile": "C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36286","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dimethoxy-9,10-dihydroxy-n-methyl-tetrahydroprotoberberine quaternary salt
{"Ingredient_id": "HBIN004059","Ingredient_name": "2,3-dimethoxy-9,10-dihydroxy-n-methyl-tetrahydroprotoberberine quaternary salt","Alias": "NA","Ingredient_formula": "C20H24NO4+","Ingredient_Smile": "C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6218","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methoxy-7-(4-hydroxy-33methoxy phenyl)-1-phenyl-3-heptanone
{"Ingredient_id": "HBIN011739","Ingredient_name": "5-methoxy-7-(4-hydroxy-33methoxy phenyl)-1-phenyl-3-heptanone","Alias": "NA","Ingredient_formula": "C21H26O4","Ingredient_Smile": "COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31551","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methoxy-7-(4''-hydroxy-3''-methoxy-phenyl)-1-phenyl-3-heptanone
{"Ingredient_id": "HBIN011740","Ingredient_name": "5-methoxy-7-(4''-hydroxy-3''-methoxy-phenyl)-1-phenyl-3-heptanone","Alias": "NA","Ingredient_formula": "C21H26O4","Ingredient_Smile": "COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13955","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
