Exact Mass: 316.1858944
Exact Mass Matches: 316.1858944
Found 500 metabolites which its exact mass value is equals to given mass value 316.1858944,
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 A12 aldehyde
Gibberellin A12 aldehyde (GA12-aldehyde), also known as gibberellin A12 7-aldehyde, belongs to the class of organic compounds known as C20-gibberellins. These are gibberellins with carboxy groups in positions 7 and 18 and some also in 20, while others have an aldehyde group in the latter position. Thus, gibberellin A12 aldehyde is considered to be an isoprenoid lipid molecule. Gibberellin A12 aldehyde is found in pulses. It is also a constituent of Phaseolus species, Pisum sativum (peas), and other plant species. Constituent of Phaseolus subspecies, Pisum sativum (peas) and other plant subspecies Gibberellin A12 7-aldehyde is found in many foods, some of which are japanese pumpkin, pulses, common pea, and winter squash. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Petasin
An enoate ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of (1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol.
17beta-Hydroxyestr-5(10)-en-3-one acetate
4-Hydroxyretinoic acid
4-Hydroxyretinoic acid is an NADPH-dependent hydroxylation metabolite of retinoic acid in the microsomes, via the cytochrome P-450 system. Retinoic acid is an activated metabolite of retinol that supports the systemic functions of vitamin A in vivo. (PMID: 1538719, 1932598, 2851384) [HMDB] 4-Hydroxyretinoic acid is an NADPH-dependent hydroxylation metabolite of retinoic acid in the microsomes, via the cytochrome P-450 system. Retinoic acid is an activated metabolite of retinol that supports the systemic functions of vitamin A in vivo. (PMID: 1538719, 1932598, 2851384). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
all-trans-5,6-Epoxyretinoic acid
all-trans-5,6-Epoxyretinoic acid, also known as 5,6-epoxy-atRA, is classified as a member of the retinoids. Retinoids are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. all-trans-5,6-Epoxyretinoic acid is considered to be a practically insoluble (in water) and a weak acidic compound. all-trans-5,6-Epoxyretinoic acid is an isoprenoid lipid molecule. all-trans-5,6-Epoxyretinoic acid can be found primarily in human kidney and liver tissues; and in blood and urine. Within a cell, all-trans-5,6-epoxyretinoic acid is primarily located in the cytoplasm, in the extracellular space, or near the membrane. A human metabolite taken as a putative food compound of mammalian origin [HMDB] D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
3beta-hydroxy-9beta-pimara-7,15-dien-19,6beta-olide
all-trans-18-Hydroxyretinoic acid
A retinoid that consists of all-trans-retinoic acid bearing an hydroxy substituent at position 18.
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
11-Hydroxysugiol
An abietane diterpenoid that is sugiol in which the hydrogen ortho to the phenolic hydroxy group has been replaced by a hydroxy group.
11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one
Phytocassane D
Phytoalexin from Oryza sativa. Phytocassane D is found in cereals and cereal products and rice. Phytocassane D is found in cereals and cereal products. Phytoalexin from Oryza sativa.
Phytocassane E
Phytoalexin from Oryza sativa (rice). Phytocassane E is found in cereals and cereal products and rice. Phytocassane E is found in cereals and cereal products. Phytoalexin from Oryza sativa (rice
(4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one
(4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one is found in tea. (4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one is a constituent of Tussilago farfara (coltsfoot) Constituent of Tussilago farfara (coltsfoot). (4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one is found in tea.
ent-15-Oxo-16-kauren-19-oic acid
ent-15-Oxo-16-kauren-19-oic acid is found in fruits. ent-15-Oxo-16-kauren-19-oic acid is isolated from Chrysobalanus icaco. Isolated from Chrysobalanus icaco. ent-15-Oxo-16-kauren-19-oic acid is found in fruits.
ent-7-Oxo-8(14),15-pimaradien-19-oic acid
ent-7-Oxo-8(14),15-pimaradien-19-oic acid is found in green vegetables. ent-7-Oxo-8(14),15-pimaradien-19-oic acid is a constituent of Aralia cordata (udo). Constituent of Aralia cordata (udo). ent-7-Oxo-8(14),15-pimaradien-19-oic acid is found in green vegetables.
7-Oxo-8,15-isopimaradien-18-oic acid
7-Oxo-8,15-isopimaradien-18-oic acid is found in fruits. 7-Oxo-8,15-isopimaradien-18-oic acid is isolated from Juniperus communis (juniper). Isolated from Juniperus communis (juniper). 7-Oxo-8,15-isopimaradien-18-oic acid is found in fruits.
Furanojaponin
Constituent of Petasites japonicus (sweet coltsfoot). Furanojaponin is found in giant butterbur and green vegetables. Furanojaponin is found in giant butterbur. Furanojaponin is a constituent of Petasites japonicus (sweet coltsfoot)
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.
(4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one
(4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one is found in tea. (4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one is a constituent of Tussilago farfara (coltsfoot) Constituent of Tussilago farfara (coltsfoot). (4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one is found in tea.
ent-17-Oxo-15-kauren-19-oic acid
ent-17-Oxo-15-kauren-19-oic acid is a constituent of Helianthus species. Constituent of Helianthus subspecies
(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
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.
Yucalexin B9
Yucalexin B9 is found in root vegetables. Yucalexin B9 is a constituent of cassava root Manihot esculenta Constituent of cassava root Manihot esculenta. Yucalexin B9 is found in root vegetables.
Momilactone C
Momilactone C is found in cereals and cereal products. Momilactone C is a constituent of Oryza sativa (rice). Constituent of Oryza sativa (rice). Momilactone C is found in cereals and cereal products and rice.
Phytocassane A
Phytoalexin from Oryza sativa (rice). Phytocassane A is found in cereals and cereal products and rice. Phytocassane A is found in cereals and cereal products. Phytoalexin from Oryza sativa (rice).
6b-Hydroxymethandienone
6b-Hydroxymethandienone is a metabolite of the androgen metandienone metabolite, excreted in the urine. Metandienone has been used in horse doping and by weightlifters and body builders. It is of note to consider that the use of anabolic steroids for an extended period of time reduces the excretion of endogenous metabolites, making the detection of doping a little more difficult. (PMID: 16040239, 757586, 9001954, 2745643, 12375280, 8539789, 1400752, 757586, 17610244) [HMDB] 6b-Hydroxymethandienone is a metabolite of the androgen metandienone metabolite, excreted in the urine. Metandienone has been used in horse doping and by weightlifters and body builders. It is of note to consider that the use of anabolic steroids for an extended period of time reduces the excretion of endogenous metabolites, making the detection of doping a little more difficult. (PMID: 16040239, 757586, 9001954, 2745643, 12375280, 8539789, 1400752, 757586, 17610244).
Trilobinone
Trilobinone is found in herbs and spices. Trilobinone is a constituent of Salvia triloba (Greek sage). Constituent of Salvia triloba (Greek sage). Trilobinone is found in tea and herbs and spices.
2-Methoxyestradiol-3-methylether
Generally refers to the 17-beta-isomer of estradiol, an aromatized C18 steroid with hydroxyl group at 3-beta- and 17-beta-position. estradiol-17-beta is the most potent form of mammalian estrogenic steroids. In humans, it is produced primarily by the cyclic ovaries and the placenta. It is also produced by the adipose tissue of men and postmenopausal women. The 17-alpha-isomer of estradiol binds weakly to estrogen receptors (receptors, estrogen) and exhibits little estrogenic activity in estrogen-responsive tissues. Various isomers can be synthesized.
all-trans-18-Hydroxyretinoic acid
all-trans-18-Hydroxyretinoic acid, also known as 18-hydroxyretinoic acid, is classified as a member of the retinoids. Retinoids are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. all-trans-18-Hydroxyretinoic acid is considered to be a practically insoluble (in water) and a weakly acidic compound. all-trans-18-Hydroxyretinoic acid is an isoprenoid lipid molecule. Within a cell, all-trans-18-hydroxyretinoic acid is primarily located in the extracellular space and near the membrane. 18-Hydroxyretinoic acid is a metabolite of tretinoin. Tretinoin is the acid form of vitamin A and is also known as all-trans retinoic acid or ATRA. It is a drug commonly used to treat acne vulgaris and keratosis pilaris. It is available as a cream or gel (brand names Aberela, Airol, Renova, Atralin, Retin-A, Avita, Retacnyl, Refissa, or Stieva-A). It is also used to treat acute promyelocytic leukemia (APL) and is sold for this indication by Roche under the brand name Vesanoid. It is also available as a generic. (Wikipedia) A human metabolite taken as a putative food compound of mammalian origin [HMDB]
Rosmaridiphenol
Rosmaridiphenol is found in herbs and spices. Rosmaridiphenol is a constituent of the leaves of Rosmarinus officinalis (rosemary). Constituent of the leaves of Rosmarinus officinalis (rosemary). Rosmaridiphenol is found in herbs and spices and rosemary.
ent-15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid
ent-15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid is found in fruits. ent-15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid is isolated (as Me ester) from seed-pod resin of Hymenaea courbaril (copinol). Isol. (as Me ester) from seed-pod resin of Hymenaea courbaril (copinol). ent-15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid is found in fruits.
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)
5,6-Epoxy-13-cis-retinoic acid
5,6-Epoxy-13-cis-retinoic acid is an oxygenated metabolite of 13-cis-retinoic acid. It is formed from the hydroperoxide-dependent co-oxidation of 13-cis-retinoic acid by prostaglandin H (PGH) synthase (PMID: 3115987).
5,8-Epoxy-13-cis-retinoic acid
5,8-Epoxy-13-cis-retinoic acid is an oxygenated metabolite of 13-cis-retinoic acid. It is formed from the hydroperoxide-dependent co-oxidation of 13-cis-retinoic acid by prostaglandin H (PGH) synthase (PMID: 3115987).
2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
C18H24N2O3 (316.17868339999995)
19-Nordeoxycorticosterone
(5Z)-11-Oxoprosta-5,9,12,14-tetraene-1-oic acid
Neopetasin
Porphyrinogen
(+)-Hardwickiic acid
(+)-hardwickiic acid is a member of the class of compounds known as colensane and clerodane diterpenoids. Colensane and clerodane diterpenoids are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations (+)-hardwickiic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (+)-hardwickiic acid can be found in blackcurrant, which makes (+)-hardwickiic acid a potential biomarker for the consumption of this food product.
[1S-[1alpha,2beta(Z),8aalpha]]-1,2,3,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid
Bacchabolivic acid
ent-15,16-Epoxy-7,13(16),14-labdatrien-18-oic acid
Crassumolide A
A cembrane diterpenoid isolated from the soft coral Lobophytum crassum and shown to have anti-inflammatory and antineoplastic activity.
Microclavatin
A macrocyclic diterpenoid isolated from the soft coral Sinularia microclavata and has been shown to exhibit cytotoxic activities against tumor cell lines.
ent-16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid lactone
20-Deoxocarnosol
20-Deoxocarnosol is a natural product found in Salvia pachyphylla, Plectranthus barbatus, and Salvia columbariae with data available.
ent-12-Hydroxy-12(R)-abieta-8(14),13(15)-dien-16,12-olide
[1R-[1alpha,2beta(Z),4alpha]]-1,2,3,4-Tetrahydro-7-hydroxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
Lambertianic acid
Origin: Plant, Organic chemicals, Polycyclic compounds, Naphthalenes
(3E,7E,11E)-18-hydroxy-3,7,11,15(17)-cembratetraen-16,14-olide
Momilactone C
5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylic acid
(1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
3alpha-hydroxy-7-oxo-15,16-epoxyfriedolabda-5,13(16),14-trien
ent-3beta-14alpha-Hydroxypimara-7,9(11),15-triene-12-one
(1(9)E,6E,10R)-19-Oxo-1(9),6,13-xenicatrien-18,17-olide|(2R,3R,6E,9E,10R)-17-xenic-6,9,13-trien-1-al-18-oic acid lactone
ent-12beta-hydroxymethyl-3-oxo-16-norpimar-8(14)-ene-15,21-carbolactone
6-Deoxy-(ent-6beta)-6-Hydroxy-7-oxo-3,13-clerodadien-15,16-olide|7-oxo-ent-clerodan-3,13E-dien-15,16-olide
12beta-12-Hysroxy-8,15-isopimaradiene-7,11-dione|12beta-hydroxy-7,11-dioxopimar-8(9),15-dien
(ent-7??, 12??)-form-7-Hydroxy-8(14), 13(15)-abietadien-16, 12-olide|7beta-hydroxy-ent-abieta-8(14),13(15)-dien-12alpha,16-olide
12-oxoabieta-7,13-dien-18-oic acid|12-oxoabietic acid
(2E,9Z)-18-hydroxyoctadeca-2,9-diene-4,6-diyn-1-yl acetate
(6alpha,7alpha,8alpha)-form-7,8-Epoxy-6-hydroxy-9(11),13-abietadien-12-one|7alpha,8alpha-epoxy-6alpha-hydroxyabieta-9(11),13-dien-12-one
19-hydroxyjolkinolide E|rel-(4R,4aS,10aR,11aR,12bS)-2,3,4,4a,5,6,10a,11,11a,11b--decahydro-4-(hydroxymethyl)-4,8,11b-trimethylphenanthro[3,2-b]furan-9(1H)-one
julocrotine
C18H24N2O3 (316.17868339999995)
A natural product found in Julocroton montevidensis and Croton pullei var. glabrior.
9,13;15,16-Diepoxy-13xi-labda-7,14-dien-6-on|9,13;15,16-diepoxy-13xi-labda-7,14-dien-6-one
9alpha,11alpha,20-Trihydroxy-15-oxo-2,3,4,5-tetra-nor-prostansaeure
14beta-14-Hydroxy-8,12-cleistanthadiene-7,11-dione|7,11-diketo-14alpha-hydroxycleistantha-8,12,-diene
(3beta,13alpha)-3-hydroxypimara-7,15-diene-2,12-dione
(E)-15-hydroxylabda-8(17),11,13-trien-16,15-olide|chinensine A
1-[2-(3-Furanyl)ethyl]-1,2,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-4a-carboxylic acid
1,1,4a-Trimethyl-6-methoxy-7-isopropyl-2,3,4,4a,5,8,9,9a-octahydro-1H-fluorene-5,8-dione
8zeta-hydroxy-1,15-isopimaradiene-3,12-dione|trogopteroid C
(3S,5R)-3,5-dimethyl-3,5-peroxytetradecanedioic acid|epiplakinidioic acid
7beta,12-dihydroxy-6alpha,18-epoxyabieta-8,11,13-triene|fortunin H
2-(2-Formyl-1,3,3-trimethylcyclohexyl)-4-hydroxy-5-isopropylbenzaldehyde
(1R,2R,3E,7R,8R,11E)-7,8-epoxycembra-3,11,15-trien-16,2-olide
ent-(5beta,8alpha,9beta,10alpha,12alpha)-12-hydroxyatis-16-ene-3,14-dione
(5alpha,10alpha,11beta,13alpha)-5,10-Epoxy-11-hydroxy-1,15-rosadien-3-one|epoxicorcovadin
3,16-Di-Me ether-(16alpha,17betaOH)-Estra-1,3,5(10)-triene-3,16,17-triol
ent-2,17-dihydroxybeyer-2,15-dien-1-one|ent-2,17-dihydroxybeyera-2,15-dien-1-one
13,18-dihydroxy-8,11,13-totaratrien-3-one|trogopteroid D
7-oxoabieta-8(14),12-dien-18-oic acid|abiesadine E
4-hydroxyestradiol 3,4-dimethyl ether|4-hydroxyestradiol 3,4-dimethylether|4-hydroxyestradiol-3,4-dimethyl ether
(1Z,5S,9E,11E)-5,9-dimethyl-12-isopropyl-6-oxocyclotetradeca-1,9,11-triene-1,5-carbolactone|sarcophytolide
(4S,5S,13(15)-Z)-5-Hydroxy-10-oxo-4,10-2,13(15),17-spatarien-12-al|(5S,13Z)-5-hydroxy-10-oxo-4,10-secospata-2,13(15),17-trien-12-al
Didemnidine A
C17H24N4O2 (316.18991639999996)
A natural product found in Didemnum species.
thujylalcohol-(beta-D-glucopyranoside)|thujylalcohol-
(S)-artemisia alcohol 4-O-beta-D-glucopyranoside|artemisioside
((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
CP 80633
C18H24N2O3 (316.17868339999995)
odorine
C18H24N2O3 (316.17868339999995)
Odorinol is a natural product found in Aglaia laxiflora, Aglaia elaeagnoidea, and Aglaia odorata with data available.
(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one
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
C18H24N2O3 (316.17868339999995)
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)-
C18H24N2O3 (316.17868339999995)
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
C18H24N2O3 (316.17868339999995)
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PYRROLIDINE-1-CARBOXAMIDE
C17H25BN2O3 (316.19581300000004)
benzyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate
C18H24N2O3 (316.17868339999995)
Methyl 1-(1-benzyl-4-piperidinyl)-5-oxo-3-pyrrolidinecarboxylate
C18H24N2O3 (316.17868339999995)
piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
C17H25BN2O3 (316.19581300000004)
6-AMINO-3-PYRROLIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H24N4O2 (316.18991639999996)
2-(TERT-BUTYL)-7-(4-METHYLPIPERAZIN-1-YL)-4-NITRO-1H-INDOLE
C17H24N4O2 (316.18991639999996)
amitriptyline-d3 hcl (n-methyl-d3)
C20H21ClD3N (316.17854893400005)
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
C17H25BN2O3 (316.19581300000004)
Sotradecol
D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions C78275 - Agent Affecting Blood or Body Fluid D013501 - Surface-Active Agents D002317 - Cardiovascular Agents
tert-butyl 4-(1-oxo-2,3-dihydroinden-5-yl)piperazine-1-carboxylate
C18H24N2O3 (316.17868339999995)
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
C18H24N2O3 (316.17868339999995)
2-Methyl-2-propanyl 6-benzyl-5-oxo-1,6-diazaspiro[3.4]octane-1-ca rboxylate
C18H24N2O3 (316.17868339999995)
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
C18H24N2O3 (316.17868339999995)
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
C18H24N2O3 (316.17868339999995)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-methyl- (9CI)
Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
C18H25BO4 (316.18458000000004)
(E)-2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]-9-methyldec-4-enoic acid
1-N-BOC-4-CYANO-4-(2-METHOXYPHENYL)PIPERIDINE
C18H24N2O3 (316.17868339999995)
1-BOC-2-OXO-2,4-DIHYDRO-1H-SPIRO[PIPERIDINE-3,3-QUINOLINE]
C18H24N2O3 (316.17868339999995)
(1S,3S)-Methyl 1-isobutyl-7-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
C18H24N2O3 (316.17868339999995)
Amquinate
C18H24N2O3 (316.17868339999995)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Atizoram
C18H24N2O3 (316.17868339999995)
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
(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
C18H24N2O3 (316.17868339999995)
2-ethyl-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]butanamide
C18H24N2O3 (316.17868339999995)
1-Butanoyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
C17H24N4O2 (316.18991639999996)
(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
6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4-piperidine]-1-carboxamide
C18H24N2O3 (316.17868339999995)
N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide
C18H24N2O3 (316.17868339999995)
2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
C18H24N2O3 (316.17868339999995)
(2S,3S,7R)-2,3-diamino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-7-hydroxyoctanoic acid
[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
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
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
C18H24N2O3 (316.17868339999995)
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
C18H24N2O3 (316.17868339999995)
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
C18H24N2O3 (316.17868339999995)
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
C18H24N2O3 (316.17868339999995)
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
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+)
C19H26NO3 (316.19125859999997)
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.
(2s)-2-hydroxy-2-methyl-n-[(2r)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanimidic acid
C18H24N2O3 (316.17868339999995)
(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-[(2s)-2-hydroxypropyl]-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-ol
C18H24N2O3 (316.17868339999995)
5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
2-{[(3s)-3-ethenyl-2,5-dimethylhex-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
6-benzyl-1,4-dimethyl-3-(2-methylpropyl)-1,4-diazepane-2,5,7-trione
C18H24N2O3 (316.17868339999995)
(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
C18H24N2O3 (316.17868339999995)
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,4s)-4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-3,4,5-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
n-[5-(n-hydroxy-3-methylbutanamido)pentyl]-4-methoxy-4-oxobutanimidic acid
(2s,3r,4s,5s,6r)-2-{[(3r)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1,4-dimethyl 2-(2,6-dimethylhept-5-en-1-yl)-2,3-dihydroxy-3-methylbutanedioate
2-(hydroxymethyl)-6-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)oxane-3,4,5-triol
3-hydroxy-n-(4-{[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]amino}butyl)-2-methylidenebutanimidic acid
C18H24N2O3 (316.17868339999995)
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,4r)-4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-3,4,5-triol
(3s)-3-hydroxy-n-(4-{[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]amino}butyl)-2-methylidenebutanimidic acid
C18H24N2O3 (316.17868339999995)
(3r)-3-hydroxy-n-(4-{[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]amino}butyl)-2-methylidenebutanimidic acid
C18H24N2O3 (316.17868339999995)
1,4-dimethyl (2r,3s)-2-[(2r)-2,6-dimethylhept-5-en-1-yl]-2,3-dihydroxy-3-methylbutanedioate
(2r)-n-[(3r)-2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanimidic acid
C18H24N2O3 (316.17868339999995)
9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid
(2e)-4-[(3s)-3-[2-(dimethylamino)phenyl]-1-methyl-2-oxopyrrolidin-3-yl]-2-methylbut-2-enoic acid
C18H24N2O3 (316.17868339999995)
(7r,8r,9s,10z)-7,8,9-trihydroxy-12-oxohexadec-10-enoic acid
(2r,3r,4s,5s,6r)-2-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-hydroxy-2-methyl-n-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]butanimidic acid
C18H24N2O3 (316.17868339999995)
n'-methyl-n-[(1r,5s)-3,3,5-trimethyl-5-({[methylthio(carbonoimidyl)]amino}methyl)cyclohexyl]carbamimidothioic acid
2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(3s)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(7r,8r,9s)-7,8,9-trihydroxy-12-oxohexadec-10-enoic acid
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(4s)-3,3,6-trimethylhepta-1,5-dien-4-yl]oxy}oxane-3,4,5-triol
n-{4-hydroxy-1-[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butyl}-2-methylbut-2-enimidic acid
C18H24N2O3 (316.17868339999995)
3-hydroxy-n-{4-[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butyl}-2-methylidenebutanimidic acid
C18H24N2O3 (316.17868339999995)
(2s)-2-hydroxy-2-methyl-n-[(2s)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanimidic acid
C18H24N2O3 (316.17868339999995)
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-({2-[(1s)-4-methylcyclohex-3-en-1-yl]propan-2-yl}oxy)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,3r,4r,5r)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl]oxy}oxane-3,4,5-triol
9-[(3r,5s)-5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid
2-(hydroxymethyl)-6-[(3,3,6-trimethylhepta-1,5-dien-4-yl)oxy]oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]oxy}oxane-3,4,5-triol
(2e)-4-hydroxy-n-(4-{[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]amino}butyl)-2-methylbut-2-enimidic acid
C18H24N2O3 (316.17868339999995)
n-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanimidic acid
C18H24N2O3 (316.17868339999995)
(2e)-n-[(1r)-4-hydroxy-1-{[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]amino}butyl]-2-methylbut-2-enimidic acid
C18H24N2O3 (316.17868339999995)
2-(hydroxymethyl)-6-({1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl}oxy)oxane-3,4,5-triol
6-benzyl-1,4-dimethyl-3-(sec-butyl)-1,4-diazepane-2,5,7-trione
C18H24N2O3 (316.17868339999995)