Exact Mass: 316.1827
Exact Mass Matches: 316.1827
Found 500 metabolites which its exact mass value is equals to given mass value 316.1827,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cafestol
Cafestol is an organic heteropentacyclic compound and furan diterpenoid with formula C20H28O3 obtained from the unsaponifiable fraction of coffee oil (a lipid fraction obtained from coffee beans by organic solvent extraction). It has a role as a plant metabolite, an apoptosis inducer, a hypoglycemic agent, an angiogenesis inhibitor, an antineoplastic agent, an antioxidant and an anti-inflammatory agent. It is an organic heteropentacyclic compound, a tertiary alcohol, a diterpenoid, a member of furans and a primary alcohol. Cafestol is a natural product found in Coffea arabica, Diplospora dubia, and other organisms with data available. Cafestol is found in arabica coffee. Cafestol is a constituent of coffee bean oil. Cafestol is present in boiled-type coffee beverages. Possesses hypercholesterolaemic activity. Diterpenoid constits. of coffee products are associated with cardiotoxic properties Cafestol is a diterpene molecule present in coffee Cafestol is a diterpene molecule and is a constituent of coffee bean oil. It is found in boiled-type coffee beverages. Possesses hypercholesterolaemic activity. Diterpenoid constitsuents of coffee products are associated with cardiotoxic props. Cafestol, one of the major components of coffee, is a coffee-specific diterpene from. Cafestol is a ERK inhibitor for AP-1-targeted activity against PGE2 production and the mRNA expression of cyclooxygenase (COX)-2 in LPS-activated RAW264.7 cells. Cafestol has strong inhibitory activity on PGE2 production by suppressing the NF-kB activation pathway. Cafestol contributes to its beneficial effects through various biological activities such as chemopreventive, antitumorigenic, hepatoprotective, antioxidative and antiinflammatory effects[1]. Cafestol, one of the major components of coffee, is a coffee-specific diterpene from. Cafestol is a ERK inhibitor for AP-1-targeted activity against PGE2 production and the mRNA expression of cyclooxygenase (COX)-2 in LPS-activated RAW264.7 cells. Cafestol has strong inhibitory activity on PGE2 production by suppressing the NF-kB activation pathway. Cafestol contributes to its beneficial effects through various biological activities such as chemopreventive, antitumorigenic, hepatoprotective, antioxidative and antiinflammatory effects[1]. Cafestol, one of the major components of coffee, is a coffee-specific diterpene from. Cafestol is a ERK inhibitor for AP-1-targeted activity against PGE2 production and the mRNA expression of cyclooxygenase (COX)-2 in LPS-activated RAW264.7 cells. Cafestol has strong inhibitory activity on PGE2 production by suppressing the NF-kB activation pathway. Cafestol contributes to its beneficial effects through various biological activities such as chemopreventive, antitumorigenic, hepatoprotective, antioxidative and antiinflammatory effects[1].
(+)-Royleanone
(+)-royleanone is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units (+)-royleanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-royleanone can be found in common sage, which makes (+)-royleanone a potential biomarker for the consumption of this food product. Royleanone is a diterpenoid. Royleanone is a natural product found in Salvia virgata, Salvia deserti, and other organisms with data available.
15-Deoxy-d-12,14-PGJ2
15-deoxy-PGJ2 (15d-PGJ2) is a metabolite of the PGJ2 prostanoid family that influences multiple signaling pathways by covalently binding with key signaling molecules. Among them, 15d-PGJ2 has displayed highest potency as an inducer of gene expression. Prostanoids are a subclass of the lipid mediator group known as eicosanoids. They derive from C-20 polyunsaturated fatty acids, mainly dihomo-gamma-linoleic (20:3n-6), arachidonic (20:4n-6), and eicosapentaenoic (20:5n-3) acids, through the action of cyclooxygenases-1 and -2 (COX-1 and COX-2). The reaction product of COX is the unstable endoperoxide prostaglandin H (PGH) that is further transformed into the individual prostanoids by a series of specific prostanoid synthases. Prostanoids are local-acting mediators formed and inactivated within the same or neighbouring cells prior to their release into circulation as inactive metabolites (15-keto- and 13,14-dihydroketo metabolites). Non-enzymatic peroxidation of arachidonic acid and other fatty acids in vivo can result in prostaglandin-like substances isomeric to the COX-derived prostaglandins that are termed isoprostanes. Prostanoids take part in many physiological and pathophysiological processes in practically every organ, tissue and cell, including the vascular, renal, gastrointestinal and reproductive systems. Their activities are mediated through prostanoid-specific receptors and intracellular signalling pathways, whilst their biosynthesis and action are blocked by nonsteroidal antiinflammatory drugs (NSAID). Isoprostanes are considered to be reliable markers of oxidant stress status and have been linked to inflammation, ischaemia-reperfusion, diabetes, cardiovascular disease, reproductive disorders and diabetes. (PMID: 16986207, 16857669). 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. D007155 - Immunologic Factors
Gibberellin A9
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi it differs from gibberellin A1 in the absence of OH groups at C-2 and C-7 (gibbane numberings).
3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Bisphenol A bis(2-hydroxyethyl)ether
1-Dehydro-15alpha-hydroxytestololactone
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Imipramine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Capillartemisin B
Perilloside C
Perilloside D is found in fats and oils. Perilloside D is a constituent of Perilla frutescens (perilla). Constituent of Perilla frutescens (perilla). Perilloside C is found in fats and oils.
(S)-alpha-Terpinyl glucoside
Constituent of Citrus species and wine grapes (Vitis vinifera). (R)-alpha-Terpinyl glucoside is found in alcoholic beverages, citrus, and fruits. (S)-alpha-Terpinyl glucoside is found in alcoholic beverages. (S)-alpha-Terpinyl glucoside is a constituent of wine grapes (Vitis vinifera)
Neryl glucoside
Isolated from Rosa subspecies, rose geranium (Pelargonium graveolens) and grapes. Neryl glucoside is found in many foods, some of which are common grape, fruits, tea, and fats and oils. Neryl glucoside is found in fats and oils. Neryl glucoside is isolated from Rosa species, rose geranium (Pelargonium graveolens) and grape
Isopulegone caffeate
Isopulegone caffeate is found in fats and oils. Isopulegone caffeate is a constituent of Perilla frutescens var. crispa
D-Linalool 3-glucoside
D-Linalool 3-glucoside is found in herbs and spices. D-Linalool 3-glucoside is an aroma precursor of linalool from the flower buds of Arabian jasmine (Jasminum sambac Constituent of wine grape (Vitis vinifera). L-Linalool 3-glucoside is found in many foods, some of which are tea, common grape, fruits, and alcoholic beverages.
Menthol-glucoronide
Menthol-glucuronide is a metabolite of menthol in urine. Menthol is extensively metabolized such that excretion in the urine is predominantly menthol glucuronide. Urine menthol is a Biomarker of mentholated cigarette Smoking, as detected in methol cigarette smokers. (PMID: 20962297)
2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
estradiol alone
Porphyrinogen
Gibberellin A9
Gibberellin a9 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a9 can be found in a number of food items such as black mulberry, saffron, pear, and winter squash, which makes gibberellin a9 a potential biomarker for the consumption of these food products.
Chaetopyranin
A chromenol that is 3,4-dihydro-2H-chromene substituted by a hydroxy group at position 6, a 3-hydroxybut-1-en-1-yl at position 2, a formyl group at position 5 and a prenyl group at position 7. Isolated from Chaetomium globosum, it exhibits radical scavenging and cytotoxic activity towards several tumour cell lines.
[1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid
Nagilactone F
A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).
6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane
Eurotirumin
4-(3-Hydroxy-3-methylbutyl)-5-(2-phenylethyl)benzene-1,2,3-triol
6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one
Hannokinol
(3S,5S)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol is a natural product found in Alpinia blepharocalyx, Alpinia roxburghii, and Centrolobium sclerophyllum with data available.
6-[(3E,5E,7S)-5,7-Dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methylbenzaldehyde
methyl-3-(3,3-dimethylallyl)-4-isobutyryloxy-cinnamate|methyl-3-<3,3-dimethylallyl>-4-isobutyryloxy-cinnamate
(6R)-6-[(1E,4R,6R)-4,5-dihydroxy-8-phenyloct-1-en-1-yl]-5,6-dihydro-2H-pyran-2-one|6R-(4R,6R-dihydroxy-8-phenyloct-1-enyl)-5,6-dihydro-2-pyrone|strictifolione
(1S,3R,5S,7S)-1,7-diphenylheptan-1,3,5,7-tetraol|diospongin C
7alpha,12beta-dihydroxy-1,4-androstadiene-3,17-dione
2,2-Dimethyl-5-methoxy-6-(3-methyl-2-butenyl)-8-acetyl-2H-1-benzopyran-7-ol
4-methoxy-3-(3-methyl-4-angelyoxy-but-2-en-1-yl)-acetophenone|4-methoxy-3-<3-methyl-4-angelyoxy-but-2-en-1-yl>-acetophenone
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-8-prenyl-2H-1-benzopyran-6-yl)-2-propenoic acid
13-acetyl-12-hydroxypodocarpa-9(11),8(14),12-trien-15-oic acid
julocrotine
A natural product found in Julocroton montevidensis and Croton pullei var. glabrior.
11,12,16-Trihydroxy-20-nor-abieta-5(10),8,11,13-tetraen-1-one|15R-11,12,16-Trihydroxy-20-nor-5(10),8,11,13-abietatetraen-1-one
9alpha,11alpha,20-Trihydroxy-15-oxo-2,3,4,5-tetra-nor-prostansaeure
(3S,4E,6E,12E)-1-Isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-3,14-diol
(3S,5R)-3,5-dimethyl-3,5-peroxytetradecanedioic acid|epiplakinidioic acid
(4E,6E,12E)-3-Isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol
6,13-diacetoxy-pentadeca-1,7t-diene-9,11-diyne|Di-Ac-(E)-8,14-Pentadecadiene-4,6-diyne-3,10-diol
2,3-Epoxide,1-Ac-(8E,15Z)-2,9,16-Heptadecatriene-4,6-diyne-1,11-diol
17-nor-15-oxo-8,11,13-abietatrien-7alpha-hydroxy-18-oic acid|abiesanordine K
(3S)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-ol|4-[(5S)-5-hydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
6-(2-Methylpropanoyl)-(4beta,6beta)-4,15-Epoxyfuranoeremophil-1(10)-en-6-ol
(E)-6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-5-methoxyisobenzofuran-1(3H)-one|hericenone J
lettowipyraquinol|methyl [6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-2H-chromen-8-yl]acetate
2-Methoxy-4-[2-(2-hydroxy-3-methoxy-5-propylphenyl)ethyl]phenol
thujylalcohol-(beta-D-glucopyranoside)|thujylalcohol-
(-)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol|(3R)-1-(3,4-dihedroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol|(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
(S)-artemisia alcohol 4-O-beta-D-glucopyranoside|artemisioside
(E)-3-<2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7-prenyl-benzofuran-5-yl>-2-propenoic acid
1-Angeloyl-(1alpha,7beta)-1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid
6-<1-(Angeloyloxy)ethyl>-7-methoxy-2,2-dimethyl-2H-chromen|6-[1-(Angeloyloxy)ethyl]-7-methoxy-2,2-dimethyl-2H-chromen|Angeloyl-Encecalinol|encecalol angelate
((1S)-Bornyl)-beta-D-glucopyranosid|((1S)-bornyl)-beta-D-glucopyranoside|(-)-borneol 2-O-beta-D-glucopyranoside|(1S,2R,4S)-borneol beta-D-glucopyranoside|borneol glucoside|Borneol-2-O-??-D-glucopyranoside|bornyl beta-D-glucopyranosyl|l-borneol O-beta-D-glucopyranoside
odorine
Odorinol is a natural product found in Aglaia laxiflora, Aglaia elaeagnoidea, and Aglaia odorata with data available.
4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one
C19H24O4_Benzaldehyde, 6-[(3E,5E,7S)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methyl
C19H24O4_11a-Hydroxy-4,4,9-trimethyl-9-vinyl-1,2,3,4,9,10,11,11a-octahydrodibenzo[c,e]oxepine-5,7-dione
Sodium tetradecyl sulfate
C - Cardiovascular system > C05 - Vasoprotectives > C05B - Antivaricose therapy > C05BB - Sclerosing agents for local injection D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions D013501 - Surface-Active Agents D002317 - Cardiovascular Agents
Pinoxaden-TP NOA 407854
CONFIDENCE standard compound; UCHEM_ID 4178
Ala Ala Gly Val
Ala Ala Val Gly
Ala Gly Ala Val
Ala Gly Gly Ile
Ala Gly Val Ala
Ala Val Ala Gly
Ala Val Gly Ala
Gly Ala Ala Val
Gly Ala Gly Ile
Gly Ala Val Ala
Gly Gly Ala Ile
Gly Gly Ile Ala
Gly Ile Gly Ala
Gly Val Ala Ala
Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)-
Ile Gly Gly Ala
Val Ala Ala Gly
Val Ala Gly Ala
Val Gly Ala Ala
(S)-alpha-Terpinyl glucoside
FOH 16:3;O5
ascr#15
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,9R)-9-hydroxydec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#15
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-10-hydroxydec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
2-Methyl-2-propanyl 5-methyl-2-oxo-1,2-dihydro-1H-spiro[indole-3 ,4-piperidine]-1-carboxylate
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PYRROLIDINE-1-CARBOXAMIDE
benzyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate
Methyl 1-(1-benzyl-4-piperidinyl)-5-oxo-3-pyrrolidinecarboxylate
piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
6-AMINO-3-PYRROLIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(TERT-BUTYL)-7-(4-METHYLPIPERAZIN-1-YL)-4-NITRO-1H-INDOLE
amitriptyline-d3 hcl (n-methyl-d3)
Amitriptyline-d3 hydrochloride is the deuterium labeled Amitriptyline (hydrochloride). Amitriptyline hydrochloride is an inhibitor of serotonin reuptake transporter (SERT) and noradrenaline reuptake transporter (NET), with Kis of 3.45 nM and 13.3 nM for human SERT and NET, respectively. Amitriptyline hydrochloride also weakly binds to dopamine reuptake transporter (DAT) with a Ki of 2.58 μM. Amitriptyline hydrochloride also inhibits adrenergic, muscarinic, histamine and 5-HT receptors. Amitriptyline hydrochloride is a TrkA and TrkB receptors agonist with potent neurotrophic activity. Amitriptyline hydrochloride has antidepressant activity[1][2][3].
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carbaldehyde
Sotradecol
D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions C78275 - Agent Affecting Blood or Body Fluid D013501 - Surface-Active Agents D002317 - Cardiovascular Agents
TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE OXALATE
tert-butyl 4-(1-oxo-2,3-dihydroinden-5-yl)piperazine-1-carboxylate
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
2-Methyl-2-propanyl 6-benzyl-5-oxo-1,6-diazaspiro[3.4]octane-1-ca rboxylate
2-(Hydroxymethyl)-1,4-piperazinedicarboxylic acid 1,4-bis(tert-butyl) ester
3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-ethyl-1H-indole
2-amino-4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
Pipequaline
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Pipequaline (PK 8165) is a partial benzodiazepine receptor agonist with anxiolytic activity[1][2].
tert-butyl 3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-methyl- (9CI)
tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(nitromethyl)piperidine-1-carboxylate
Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
(E)-2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]-9-methyldec-4-enoic acid
1-BOC-2-OXO-2,4-DIHYDRO-1H-SPIRO[PIPERIDINE-3,3-QUINOLINE]
(1S,3S)-Methyl 1-isobutyl-7-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Amquinate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
16-Hydroxy-19-oxo-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(2E)-10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dec-2-enoic acid
(2E,9R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dec-2-enoic acid
8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one
2-ethyl-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]butanamide
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone
1-Butanoyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
(3z,5s,6r,7s,8s,8ar)-3-(Octylimino)hexahydro[1,3]oxazolo[3,4-A]pyridine-5,6,7,8-Tetrol
n-[1-Hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane
(3z,5s,6r,7s,8r,8ar)-3-(Octylimino)hexahydro[1,3]oxazolo[3,4-A]pyridine-5,6,7,8-Tetrol
4-[4-(4-Hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]pyrocatechol
6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4-piperidine]-1-carboxamide
N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide
2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(2S,3S,7R)-2,3-diamino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-7-hydroxyoctanoic acid
3,17-dihydroxy-13-methyl-2-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1-carbaldehyde
[3-carboxy-2-[(E)-7-carboxyhept-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxyhept-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxyhept-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxyhept-2-enoyl]oxypropyl]-trimethylazanium
6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde
(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
A diarylheptanoid that is heptan-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
A diarylheptanoid that is heptan-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
Tofranil
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol
(+)-(8R,8R)-3,4,4-trihydroxy-3-methoxylignan
A natural product found in Machilus robusta.
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
N-[1,3-dimethyl-2-oxo-5-[[oxo(propoxy)methyl]amino]-4-imidazolidinyl]carbamic acid propyl ester
4-[Bis(4-amino-3-methylphenyl)methylidene]cyclohexa-2,5-dien-1-iminium
(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
6-De(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
O-suberoylcarnitine(1-)
A dicarboxylic acid monoanion that is the conjugate base of O-suberoylcarnitine; major spoecies at pH 7.3.
2-[(3S)-1-(1H-Indol-3-ylmethyl)-3-pyrrolidinyl]-1H-benzimidazole
[3-carboxy-1-[(E)-7-carboxyhept-2-enoyl]oxypropyl]-trimethylazanium
(3Z)-3-[(2E,6E,8E)-1-hydroxy-2,10-dimethyldodeca-2,6,8-trienylidene]-5-methylideneoxolane-2,4-dione
2,3,4,5-tetranor-thromboxane B1
A monocarboxylic acid that is thromboxane B1 which is lacking four methylenes in the carboxyalkyl chain. It is a urinary metabolite of thromboxane B2.
aculene A(1+)
A secondary ammonium ion that is the conjugate acid of aculene A, arising from the protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
6-hydroxy-2-(3-hydroxybut-1-en-1-yl)-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-5-carbaldehyde
6-(5,7-dimethyl-2-oxonona-3,5-dien-1-yl)-2,4-dihydroxy-3-methylbenzaldehyde
(2s)-2-hydroxy-2-methyl-n-[(2r)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanimidic acid
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-[(2s)-2-hydroxypropyl]-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-ol
6-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-5-methoxy-3h-2-benzofuran-1-one
5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
(1r,4as,10ar)-7-acetyl-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
2-{[(3s)-3-ethenyl-2,5-dimethylhex-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(6r)-6-[(1e,4r,6r)-4,6-dihydroxy-8-phenyloct-1-en-1-yl]-5,6-dihydropyran-2-one
(2e)-3-[(2s)-2-[(2s)-1-hydroxypropan-2-yl]-7-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl 2-methylpropanoate
(3s)-1-[(2r)-3,3-dimethyloxiran-2-yl]-3-ethenyl-5-(2-hydroxy-6-methylphenyl)-3-methylpentane-1,5-dione
6-benzyl-1,4-dimethyl-3-(2-methylpropyl)-1,4-diazepane-2,5,7-trione
(2e)-3-{4-hydroxy-3-[(2z)-4-hydroxy-3-(4-methylpent-3-en-1-yl)but-2-en-1-yl]phenyl}prop-2-enoic acid
(5s,8r,13s,16r)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
(2r,3r,4s,5s,6r)-2-{[(3s)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-hydroxy-n-{4-[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butyl}-2-methylbut-2-enimidic acid
5,6-dihydroxy-7-(1-hydroxypropan-2-yl)-1,1-dimethyl-2,3,9,10-tetrahydrophenanthren-4-one
(2r)-6-hydroxy-2-[(1r)-1-hydroxybut-2-en-1-yl]-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-5-carbaldehyde
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,4s)-4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-3,4,5-triol
1-[7-hydroxy-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)chromen-8-yl]ethanone
(1s,2r,5r,8s,9r,12s,13s,17r)-12-hydroxy-13-methyl-4-methylidene-15-oxapentacyclo[7.7.1.1²,⁵.0²,⁸.0¹³,¹⁷]octadecane-14,16-dione
5'-(furan-3-yl)-2,5-dimethyl-octahydrospiro[naphthalene-1,3'-oxolane]-2',7-dione
3-(3,5-dimethylhepta-1,3-dien-1-yl)-7-methyl-1h-isochromene-1,6,8-triol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-({2-[(1r)-4-methylcyclohex-3-en-1-yl]propan-2-yl}oxy)oxane-3,4,5-triol
(1s,8r,11s,12s,15s)-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3-dien-11-yl 2-methylprop-2-enoate
[(1r,4r)-4-(prop-1-en-2-yl)cyclohexyl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(5s)-5-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)-5h-furan-2-one
4-ethoxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxopyran-3-carbaldehyde
n-[5-(n-hydroxy-3-methylbutanamido)pentyl]-4-methoxy-4-oxobutanimidic acid
(1s)-1-{5-methoxy-2,2,8,8-tetramethylpyrano[3,2-g]chromen-10-yl}ethanol
(4s,4ar,5s)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(1s,9r,10s,12s,13r)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-12-yl 2-methylprop-2-enoate
(3s,4 e,6 e,12e)-1-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-3,14-diol
{"Ingredient_id": "HBIN009634","Ingredient_name": "(3s,4 e,6 e,12e)-1-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-3,14-diol","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(C)CC(=O)OC(CCO)C=CC=CC#CC#CC=CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11761","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5s)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane
{"Ingredient_id": "HBIN009666","Ingredient_name": "(3s,5s)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "C1=CC(=CC=C1CCC(CC(CCC2=CC=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5779","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4 e,6 e,12e)-3-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol
{"Ingredient_id": "HBIN010338","Ingredient_name": "(4 e,6 e,12e)-3-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(C)CC(=O)OC(CCO)C=CC=CC#CC#CC=CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11760","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Artepillin A
{"Ingredient_id": "HBIN016972","Ingredient_name": "Artepillin A","Alias": "artepillin a","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(CO)C1CC2=C(O1)C(=CC(=C2)C=CC(=O)O)CC=C(C)C","Ingredient_weight": "316.4 g/mol","OB_score": "68.31719082","CAS_id": "NA","SymMap_id": "SMIT09381","TCMID_id": "1807","TCMSP_id": "MOL008047","TCM_ID_id": "6605","PubChem_id": "21626500","DrugBank_id": "NA"}
Atractyloyne
{"Ingredient_id": "HBIN017311","Ingredient_name": "Atractyloyne","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(C)CC(=O)OCCC(C=CC=CC#CC#CC=CCO)O","Ingredient_weight": "316.4 g/mol","OB_score": "5.201145462","CAS_id": "NA","SymMap_id": "SMIT02831","TCMID_id": "NA","TCMSP_id": "MOL000182","TCM_ID_id": "NA","PubChem_id": "11544212","DrugBank_id": "NA"}
