Exact Mass: 311.07
Exact Mass Matches: 311.07
Found 419 metabolites which its exact mass value is equals to given mass value 311.07,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Taxiphyllin
(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available. Dhurrin is found in borage. Cyanogenic glucoside isolated from Sorghum vulgare (sorghum) Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide Cyanogenic glucoside of Macadamia ternifolia. Taxiphyllin is found in many foods, some of which are naranjilla, bayberry, celeriac, and red beetroot.
Acronydine
An organic heterotetracyclic compound that is 3H-furo[2,3-b]pyrano[3,2-f]quinoline carrying a gem-dimethyl group at position 3 as well as two methoxy substituents at positions 5 and 11.
Icilin
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D049990 - Membrane Transport Modulators > D062687 - Sodium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents
S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine
Citalopram propionic acid
Citalopram propionic acid is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)
Dhurrin
Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide. (Wikipedia) In biosynthesis of the cyanogenic glucoside dhurrin in Sorghum bicolor, the UDP-glucosyltransferase UGT85B1 catalyzes the conversion of p-hydroxymandelonitrile into dhurrin. (PMID: 16169969) In Sorghum, the cyanogenic glucoside dhurrin is derived from l-tyrosine in a pathway involving the two cytochromes P450 (CYPs) CYP79A1 and CYP71E1, a glucosyltransferase (UGT85B1), and the redox partner NADPH-dependent cytochrome P450 reductase (CPR). (PMID: 21620426) Synthesis of the tyrosine derived cyanogenic glucoside dhurrin in Sorghum bicolor is catalyzed by two multifunctional, membrane bound cytochromes P450, CYP79A1 and CYP71E1, and a soluble UDPG-glucosyltransferase, UGT85B1. In the presence of CYP79A1 and CYP71E1, the localization of UGT85B1 shifted towards the surface of the ER membrane in the periphery of biosynthetic active cells, demonstrating in planta dhurrin metabolon formation. (PMID: 17706731)
Aristolochic
Aristolochic acid B is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a mutagen, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound. Aristolochic acid II is a natural product found in Aristolochia, Aristolochia macrophylla, and other organisms with data available. See also: Aristolochia fangchi root (part of). An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].
Norisodomesticine
Norisodomesticine is found in herbs and spices. Norisodomesticine is an alkaloid from the leaves Laurus nobilis (bay laurel). Alkaloid from the leaves Laurus nobilis (bay laurel). Norisodomesticine is found in tea, sweet bay, and herbs and spices.
4-Hydroxybenzyl isothiocyanate rhamnoside
4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. 4-Hydroxybenzyl isothiocyanate rhamnoside is a constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. Constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. 4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
Furoparadine
Furoparadine is found in citrus. Furoparadine is an alkaloid from roots of Citrus paradisi (grapefruit). Alkaloid from roots of Citrus paradisi (grapefruit). Furoparadine is found in citrus.
Annocherine B
Annocherine B is found in fruits. Annocherine B is an alkaloid from Annona cherimola (cherimoya Alkaloid from Annona cherimola (cherimoya). Annocherine B is found in fruits.
(S)-Nandigerine
(S)-Nandigerine is found in herbs and spices. (S)-Nandigerine is an alkaloid from Laurus nobilis (bay laurel). Alkaloid from Laurus nobilis (bay laurel). (S)-Nandigerine is found in tea, sweet bay, and herbs and spices.
(+)-Norushinsunine N-oxide
(+)-Norushinsunine N-oxide is an alkaloid from Cananga odorata (ylang ylang
N-(1-Deoxy-1-fructosyl)methionine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)methionine is classified as a Natural Food Constituent (code WA) in the DFC.
(S)-5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid
Aristolochic acid B
Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].
4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan
Etamicastat
Metamizol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
D004791 - Enzyme Inhibitors
Zierin
Zierin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Zierin is soluble (in water) and a very weakly acidic compound (based on its pKa). Zierin can be found in black elderberry, which makes zierin a potential biomarker for the consumption of this food product.
Actinodaphnine
Actinodaphnine 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. Actinodaphnine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Actinodaphnine can be found in sweet bay, which makes actinodaphnine a potential biomarker for the consumption of this food product.
Laetine
Vascular Smooth Muscle Relaxation: The text indicates that sixteen compounds isolated from Hernandia nymphaeifolia, including the three new alkaloids, exhibit effective inhibitory activities on the contraction of vascular smooth muscles. This suggests that these compounds may have potential vasodilatory effects, which could be beneficial in conditions involving vascular constriction, such as hypertension. Antioxidant Properties: Eight of the isolated compounds, which may include (+)-laetine, showed effective antioxidant activities by scavenging the stable free radical DPPH. This implies that these compounds could help protect cells from oxidative stress by neutralizing free radicals, which is important in preventing cellular damage and aging-related diseases. In conclusion, (+)-laetine and the other alkaloids isolated from Hernandia nymphaeifolia possess significant biological activities, particularly in inhibiting vascular smooth muscle contraction and exhibiting antioxidant effects. These findings suggest potential therapeutic applications in cardiovascular health and antioxidant-related therapies. However, further research would be necessary to confirm these activities, understand their mechanisms of action, and assess their potential for clinical use.
1-Methoxy-2,9-dihydroxy-3-(hydroxymethyl)dibenzo[cd,f]indole-4(5H)-one
Actinodaphnine
An organic heteropentacyclic compound 6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinoline bering additional hydroxy and methoxy substituents at positions 10 and 11 respectively.
Prothioconazole-desthio
CONFIDENCE standard compound; INTERNAL_ID 2581 CONFIDENCE standard compound; INTERNAL_ID 8437 CONFIDENCE standard compound; INTERNAL_ID 4061 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3176
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-(2-furyl)-6-(methylthio)pyrimidine-5-carbonitrile
3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
2-Methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
aristolochic acid B
Annotation level-1 Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].
Feruloyl dehydrotyramine (isomer of 1654)
Annotation level-3
(7aS)-10-methoxy-(7ar)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-8t-ol|Michelanugin|Michelanugine
1,3,5-Trihydroxy-4-prenyl-9,10-dihydroacridine-9-one
8,9,10-Trimethoxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]phenanthridine-7-one
1,2-Dihydro-1-(alpha-hydroxy-4-methoxybenzyl)-6,7-methylenedioxyisoquinoline|1,2-Dihydro-1-(hydroxy-p-methoxybenzyl)-6,7-methylenedioxyisoquinoline
5,6-dimethoxy-2-(3-methoxyphenyl)-1H-quinolin-4-one
5,7-Dimethoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone
(3,4-dihydroxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A1|[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acetonitrile
(Z)-4,6-dimethoxy-7-[(3-methylbuta-1,3-dienyloxy)]furo[2,3-b]quinoline|leptanoine B
5,7,8-trimethoxy-2,3-dihydroindeno[1,2,3-ij]isoquinoline-6-ol|caulophylline E
2,9,10-trimethoxy-4H-pyrrolo[3,2,1-de]phenanthridin-7(5H)-one|lycosprenine
Di-Et dithioacetal,5,6-O-isopropylidene-D-2-Amino-2-deoxyglucose
5-deoxy-5-(ethylthio)adenosine|5-deoxy-5-ethylthioadenosine|5-Ethylthio-5-deoxyadenosin|5-Thioethyladenosin|Ethyl--sulfid|S-Aethyl-5-thio-adenosin|S-ethyl-5-thio-adenosine
(-)-norannuradhapurine|(R)-Norannuradhapurine|Norannuradhapurine
Moringin
alpha-L-Mannopyranoside, 4-(isothiocyanatomethyl)phenyl 6-deoxy- is a natural product found in Moringa oleifera with data available. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
Fissistigine A
Fissistigine A is a natural product found in Xylopia laevigata, Fissistigma oldhamii, and Xylopia parviflora with data available.
fenamidone
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1015 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3056
9,10-Dimethoxy-6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindole-5,11-dione
Feruloyl dehydrotyramine (isomer of 1655)
Annotation level-3
PC(3:1/0:0)[U]
PC(0:0/3:1)
4-Hydroxybenzyl isothiocyanate rhamnoside
Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
Norjuzipjine
Nandigerine
(+)-Norushinsunine N-oxide
2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid Methyl ester
3-[3-(4-methylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate
(2R,4R)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
(5s)-3,4,5,6-tetrahydro-5-phenyl-n-(benzyloxycarbonyl)-4(h)-1,4-oxazin-2-one
3-bromo-4-(4,4-dimethylpiperidin-1-yl)benzoic acid
3-bromo-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]benzoic acid
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzoic acid
n-(3-chloro-2-methyl-phenyl)-2-(tetrahydro-furan-2-yl)-succinamic acid
TERT-BUTYL 3-(BROMOMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE
2-BOC-6-CHLORO-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID
Diethyl 2-(((3-chloro-4-methylphenyl)amino)methylene)malonate
ETHYL 6-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINATE
3(R)-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
3(S)-IODOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino](dimethoxyphosphinyl)-, ethyl ester
tert-Butyl (1-(4-bromophenyl)cyclopropyl)carbamate
2,3-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE
1,3-DiMethyl 2-[4-(Methoxycarbonyl)-2-nitrophenyl]propanedioate
1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2H-isoquinolin-6-one
ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylate
TERT-BUTYL 5-BROMO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE
6-O-tert-butyl 3-O-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT
(4-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)phenyl)boronic acid
3-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate
3-(3-METHOXYBENZAMIDO)FURO[2,3-B]PYRIDINE-2-CARBOXAMIDE
N1-(4-[(3,5-DIOXOPIPERAZINO)SULFONYL]PHENYL)ACETAMIDE
9-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
(R)-N-Cbz-3,4-dihydro-1H-isoquinolinecarboxylic acid
tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
Flutiazin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
ETHYL 5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
1,2-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE
3-(2-Formyl-4-nitrophenoxy)benzotrifluoride, 2-Formyl-4-nitro-3-(trifluoromethyl)diphenyl ether
Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
1-Naphthalenamine,N,N-bis(2-chloroethyl)-4-methoxy-3-methyl-
METHYL 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}-2-THIOPHENECARBOXYLATE
PNU-120596
PNU-120596 (NSC 216666) is a potent and selective α7 nAChR positive allosteric modulator (PMA) with an EC50 of 216 nM. PNU-120596 is inactive against α4β2, α3β4, and α9α10 nAChRs. PNU-120596 has the potential for psychiatric and neurological disorders research[1].
3H-1,2,4-Triazole-3-thione,5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-
2-(BENZYLAMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
3-(2-CHLOROBENZYLIDENE)-3H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
5-[3-fluoroanilino(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3-pyridinecarboxylic acid methyl ester
Benzenepropanoic acid,-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-,(aR)-
methyl 1,4-dihydroxy-7-phenoxyisoquinoline-3-carboxylate
8-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
ETHYL 5-BOC-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2-CARBOXYLATE
2-bromo-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
TERT-BUTYL 5-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
3-Amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
2-(4-Nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol
(5r)-3,4,5,6-tetrahydro-5-phenyl-n-(benzyloxycarbonyl)-4(h)-1,4-oxazin-2-one
2-amino-4-chloro-N-(2-methylquinolin-6-yl)benzamide
(2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid,styrene
2-Thiophenesulfonamide, 5-chloro-N-((1S)-2-ethyl-1-(hydroxymethyl)butyl)-
3-[(2,4,6-Trimethoxy-phenyl)-methylene]-indolin-2-one
5-Methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione
2-(1,3-Dioxoisoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid
Eptazocine hydrobromide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethyl-3-thiophenesulfonamide
2-(2,4-dichlorophenoxy)-N-(1H-pyrrol-2-ylmethylene)acetohydrazide
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine
N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)benzenesulfonamide
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)prop-2-enamide
(3s)-1-{[4-(But-2-Yn-1-Yloxy)phenyl]sulfonyl}pyrrolidine-3-Thiol
1-[(2s)-4-(5-Bromo-1h-Pyrazolo[3,4-B]pyridin-4-Yl)morpholin-2-Yl]methanamine
2-(beta-D-Glucopyranosyl)-5-methyl-1,3,4-benzothiazole
metamizole
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-14-one
Geranyl diphosphate(3-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
[5-(4,5-diamino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
(3Z)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
N-(2-methoxy-3-dibenzofuranyl)-2-oxolanecarboxamide
1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione
3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
4-Hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester
1-(6-Methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea
6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
2-(2-Furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
8-Methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester
N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
4,5-Dimethylcyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl ester
3-Amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
2-[6-(Carboxymethyl)-9-ethyl-3-carbazolyl]acetic acid
N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
Cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile
Ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate
1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]-3-pyrancarboxamide
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide
4-Methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
2-Methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone
N-[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]-1,3-benzothiazol-2-amine
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate
An S-substituted N-acetyl-L-cysteine that is the conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-(4-Phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine
6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine
(5R)-3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
[3,7-Dimethylocta-2,6-dienoxy(oxido)phosphoryl] phosphate
9-chloro-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-1-ium-4-one
3-Hydroxy-4-(4-hydroxyphenyl)-1-methyl-5-phenylpiperidine-2,6-dione
[Oxido-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphoryl] phosphate
(6aR)-9,10-dimethoxy-6aH-isoindolo[2,3-a][3,1]benzoxazine-5,11-dione
Taxiphyllin
(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available.
Geranyl diphosphate(3-)
Trianion of geranyl diphosphate arising from deprotonation of the three OH groups of the diphosphate; major species at pH 7.3.
phosphatidylcholine (18:0/20:2)
A 1,2-diacyl-sn-glycero-3-phosphocholine in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 2 double bonds.
5-ethylthioadenosine
A thioadenosine that is adenosine with the hydroxy group at C-5 substituted with an ethylthio (ethylsulfanyl) group.
(S)-4-Hydroxymandelonitrile beta-D-glucoside
A beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring.
EF24
EF24 is a curcumin analogue with greater anti-tumor efficacy and oral bioavailability via deactivation of the MAPK/ERK signaling pathway in oral squamous cell carcinoma (OSCC). EF24 treatment increases the levels of activated caspase 3 and 9, and decreases the phosphorylated forms of MEK1 and ERK[1][2].
19-methoxy-4,6-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0³,⁷.0¹⁶,²⁰]icosa-1(20),2(10),3(7),8,16,18-hexaen-18-ol
(1s,19r)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaen-12-one
(2z,5s,7z)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
(2s)-6-hydroxy-2-(2-hydroxypropan-2-yl)-1h,2h,7h-pyrano[3,4-c]carbazol-4-one
(3s,6s)-6-benzyl-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-3,6-dihydro-1,4-oxazin-2-one
2h,5h,6h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl(4-methoxyphenyl)methanol
(12r)-19-methoxy-4,6-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0³,⁷.0¹⁶,²⁰]icosa-1(20),2(10),3(7),8,16,18-hexaen-18-ol
(12s,13r)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
(12s)-19-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,16,18-hexaen-18-ol
7-methoxyoxoassoanine
{"Ingredient_id": "HBIN013345","Ingredient_name": "7-methoxyoxoassoanine","Alias": "NA","Ingredient_formula": "C18H17NO4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14042","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aristolactam c ii; 9-hydroxy,o2-de-me
{"Ingredient_id": "HBIN016769","Ingredient_name": "aristolactam c ii; 9-hydroxy,o2-de-me","Alias": "NA","Ingredient_formula": "C17H13NO5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6675","PubChem_id": "NA","DrugBank_id": "NA"}
aristoliukine a
{"Ingredient_id": "HBIN016795","Ingredient_name": "aristoliukine a","Alias": "NA","Ingredient_formula": "C17H13NO5","Ingredient_Smile": "COC1=C(C(=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Artabonatine B
{"Ingredient_id": "HBIN016912","Ingredient_name": "Artabonatine B","Alias": "NA","Ingredient_formula": "C18H17NO4","Ingredient_Smile": "COC1=C2C(=C3C4=CC=CC=C4C(C5C3=C1CCN5)O)OCO2","Ingredient_weight": "311.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35608","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10614948","DrugBank_id": "NA"}
