Exact Mass: 302.2165
Exact Mass Matches: 302.2165
Found 500 metabolites which its exact mass value is equals to given mass value 302.2165,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Abietic_acid
Yellowish resinous powder. (NTP, 1992) Abietic acid is an abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. It has a role as a plant metabolite. It is an abietane diterpenoid and a monocarboxylic acid. It is a conjugate acid of an abietate. Abietic acid is a natural product found in Ceroplastes pseudoceriferus, Pinus brutia var. eldarica, and other organisms with data available. An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents CONFIDENCE standard compound; INTERNAL_ID 8337 Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2]. Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2].
8,13-Abietadien-18-oic acid
Palustric acid is a diterpenoid. Palustric acid is a natural product found in Larix gmelinii var. olgensis, Larix gmelinii var. gmelinii, and other organisms with data available. 8,13-Abietadien-18-oic acid is a constituent of Pinus palustris (pitch pine). Constituent of Pinus palustris (pitch pine)
Isopimaric acid
Isopimaric acid is a diterpenoid, a carbotricyclic compound and a monocarboxylic acid. It is a conjugate acid of an isopimarate. It derives from a hydride of an isopimara-7,15-diene. Isopimaric acid is a natural product found in Pinus brutia var. eldarica, Halocarpus bidwillii, and other organisms with data available. Isopimaric acid is isolated from Pinus palustris (pitch pine). D049990 - Membrane Transport Modulators D007476 - Ionophores Isopimaric acid is a potent opener of large conductance calcium activated K+ (BK) channels. Isopimaric acid is a potent opener of large conductance calcium activated K+ (BK) channels.
Eicosapentaenoic acid
Icosapent, also known as icosapentaenoate or (5z,8z,11z,14z,17z)-eicosapentaenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, icosapent is considered to be a fatty acid lipid molecule. Icosapent is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Icosapent can be found in a number of food items such as barley, sacred lotus, white lupine, and rape, which makes icosapent a potential biomarker for the consumption of these food products. Icosapent can be found primarily in blood, feces, sweat, and urine, as well as throughout most human tissues. In humans, icosapent is involved in the alpha linolenic acid and linoleic acid metabolism. Moreover, icosapent is found to be associated with essential hypertension and hypertension. Ethyl eicosapentaenoic acid (E-EPA, icosapent ethyl) is a derivative of the omega-3 fatty acid eicosapentaenoic acid (EPA) that is used in combination with changes in diet to lower triglyceride levels in adults with severe (≥ 500 mg/dL) hypertriglyceridemia. This was the second class of fish oil-based drug to be approved for use as a drug and was approved by the FDA in 2012. These fish oil drugs are similar to fish oil dietary supplements but the ingredients are better controlled and have been tested in clinical trials . The anti-inflammatory, antithrombotic and immunomodulatory actions of EPA is probably due to its role in eicosanoid physiology and biochemistry. Most eicosanoids are produced by the metabolism of omega-3 fatty acids, specifically, arachidonic acid. These eicosanoids, leukotriene B4 (LTB4) and thromboxane A2 (TXA2) stimulate leukocyte chemotaxis, platelet aggregation and vasoconstriction. They are thrombogenic and artherogenic. On the other hand, EPA is metabolized to leukotriene B5 (LTB5) and thromboxane A3 (TXA3), which are eicosanoids that promote vasodilation, inhibit platelet aggregation and leukocyte chemotaxis and are anti-artherogenic and anti-thrombotic. The triglyceride-lowering effect of EPA results from inhibition of lipogenesis and stimulation of fatty acid oxidation. Fatty acid oxidation of EPA occurs mainly in the mitochondria. EPA is a substrate for Prostaglandin-endoperoxide synthase 1 and 2. It also appears to affect the function and bind to the Carbohydrate responsive element binding protein (ChREBP) and to a fatty acid receptor (G-coupled receptor) known as GP40 (DrugBank). Eicosapentaenoic acid (EPA or also icosapentaenoic acid) is an important polyunsaturated fatty acid found in fish oils. It serves as the precursor for the prostaglandin-3 and thromboxane-3 families. A diet rich in eicosapentaenoic acid lowers serum lipid concentration, reduces incidence of cardiovascular disorders, prevents platelet aggregation, and inhibits arachidonic acid conversion into the thromboxane-2 and prostaglandin-2 families. Eicosapentaenoic acid is an omega-3 fatty acid. In physiological literature, it is given the name 20:5(n-3). Its systematic chemical name is all-cis-5,8,11,14,17-icosapentaenoic acid. It also has the trivial name timnodonic acid. Chemically, EPA is a carboxylic acid with a 20-carbon chain and five cis double bonds; the first double bond is located at the third carbon from the omega end. Because of the presence of double bonds, EPS is a polyunsaturated fatty acid. Metabolically it acts as a precursor for prostaglandin-3 (which inhibits platelet aggregation), thromboxane-3, and leukotriene-5 groups. It is found in fish oils of cod liver, herring, mackerel, salmon, menhaden, and sardine. It is also found in human breast milk (Wikipedia). Chemical was purchased from CAY 90110 (Lot. 0443819-6); Diagnostic ions: 301.2, 257.1, 202.9 CONFIDENCE standard compound; INTERNAL_ID 305 Eicosapentaenoic Acid (EPA) is an orally active Omega-3 long-chain polyunsaturated fatty acid (ω-3 LC-PUFA). Eicosapentaenoic Acid exhibits a DNA demethylating action that promotes the re-expression of the tumor suppressor gene CCAAT/enhancer-binding protein δ (C/EBPδ). Eicosapentaenoic Acid activates RAS/ERK/C/EBPβ pathway through H-Ras intron 1 CpG island demethylation in U937 leukemia cells. Eicosapentaenoic Acid can promote relaxation of vascular smooth muscle cells and vasodilation[1][2][3]. Eicosapentaenoic Acid (EPA) is an orally active Omega-3 long-chain polyunsaturated fatty acid (ω-3 LC-PUFA). Eicosapentaenoic Acid exhibits a DNA demethylating action that promotes the re-expression of the tumor suppressor gene CCAAT/enhancer-binding protein δ (C/EBPδ). Eicosapentaenoic Acid activates RAS/ERK/C/EBPβ pathway through H-Ras intron 1 CpG island demethylation in U937 leukemia cells. Eicosapentaenoic Acid can promote relaxation of vascular smooth muscle cells and vasodilation[1][2][3].
Methyltestosterone
A synthetic anabolic steroid used for treating men with testosterone deficiency or similar androgen replacement therapies. Also, has antineoplastic properties and so has been used secondarily in women with advanced breast cancer. Methyltestosterone is a schedule III drug in the US. CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9426; ORIGINAL_PRECURSOR_SCAN_NO 9425 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9487; ORIGINAL_PRECURSOR_SCAN_NO 9483 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9431 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9476; ORIGINAL_PRECURSOR_SCAN_NO 9475 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9423; ORIGINAL_PRECURSOR_SCAN_NO 9422 CONFIDENCE standard compound; INTERNAL_ID 1072; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9541; ORIGINAL_PRECURSOR_SCAN_NO 9538 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03E - Androgens and female sex hormones in combination > G03EK - Androgens and female sex hormones in combination with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03B - Androgens > G03BA - 3-oxoandrosten (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone CONFIDENCE standard compound; INTERNAL_ID 2816 D000970 - Antineoplastic Agents
Pimaric acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.561 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.568 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.560
(-)-Kaur-16-en-19-oic acid
(-)-kaur-16-en-19-oic acid, also known as ent-kaurenoic acid or ent-kaur-16-en-19-oate, is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D (-)-kaur-16-en-19-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (-)-kaur-16-en-19-oic acid can be found in sugar apple and sunflower, which makes (-)-kaur-16-en-19-oic acid a potential biomarker for the consumption of these food products. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1]. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1].
Emedastine
Emedastine is only found in individuals that have used or taken this drug. It is an antihistamine used in eye drops to treat allergic conjunctivitis. [Wikipedia]Emedastine is a relatively selective, histamine H1 antagonist. In vitro examinations of emedastines affinity for histamine receptors demonstrate relative selectivity for the H1 histamine receptor. In vivo studies have shown concentration-dependent inhibition of histamine-stimulated vascular permeability in the conjunctiva following topical ocular administration. Emedastine appears to be devoid of effects on adrenergic, dopaminergic and serotonin receptors. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Emedastine is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3].
Oryzalexin A
Oryzalexin a, also known as 3a,7-oxo-ent-sandaracopimaradiene, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Oryzalexin a is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Oryzalexin a can be found in rice, which makes oryzalexin a a potential biomarker for the consumption of this food product.
Levopimaric acid
Origin: Plant; SubCategory_DNP: Diterpenoids, Pimarine diterpenoids
Stenbolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol
17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one
Peretinoin
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
11-hydroxyferruginol
An abietane diterpenoid that is ferruginol in which the hydrogen ortho to the phenolic hydroxy group has been replaced by a hydroxy group.
ent-3beta-hydroxycassa-12,15-dien-2-one
A diterpenoid that is ent-cassa-12,15-diene carrying oxo and hydroxy substituents at positions 2 and 3beta respectively.
Methenolone
Metenolone (or methenolone) is a long-acting anabolic steroid with weak androgenic (testosterone or androsterone-like) properties. It is a naturally occurring drug, found within the adrenal glands of pregnant domesticated felines, and is supplied as the acetate ester for oral administration and as the enanthate ester for intramuscular injection. Adult doses for the treatment of aplastic anemia are usually in a range of 1-3 mg/kg per day. A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AA - Androstan derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
8(17),12-Labdadiene-15,16-dial
8(17),12-Labdadiene-15,16-dial is found in ginger. 8(17),12-Labdadiene-15,16-dial is a constituent of Alpinia galanga (greater galangal). Constituent of Alpinia galanga (greater galangal). 8(17),12-Labdadiene-15,16-dial is found in herbs and spices and ginger.
(ent-15beta,16beta)-15,16-Epoxy-3-kauranone
(ent-15beta,16beta)-15,16-Epoxy-3-kauranone is found in cereals and cereal products. (ent-15beta,16beta)-15,16-Epoxy-3-kauranone is isolated from leaves of a blight-resistant rice cultivar. Isolated from leaves of a blight-resistant rice cultivariety ent-15b,16b-Epoxy-3-kauranone is found in cereals and cereal products.
ent-8(17),13(16),14-Labdatrien-18-oic acid
ent-8(17),13(16),14-Labdatrien-18-oic acid is found in fruits. ent-8(17),13(16),14-Labdatrien-18-oic acid is isolated from seed pods of Hymenaea courbaril (copinol). Isolated from seed pods of Hymenaea courbaril (copinol). ent-8(17),13(16),14-Labdatrien-18-oic acid is found in fruits.
8,15-Isopimaradien-18-oic acid
8,15-Isopimaradien-18-oic acid is found in resin of Pinus species especially Pinus edulis (pinon Found in resin of Pinus subspecies especies Pinus edulis (pinon)
Cascarillone
Cascarillone is a constituent of oil of Croton eleuteria (cascarilla). Constituent of oil of Croton eleuteria (cascarilla)
xi-7-Hydroxyhexadecanedioic acid
xi-7-Hydroxyhexadecanedioic acid is found in fruits. xi-7-Hydroxyhexadecanedioic acid is a constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. Constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. xi-7-Hydroxyhexadecanedioic acid is found in fruits and garden tomato.
xi-8-Hydroxyhexadecanedioic acid
xi-8-Hydroxyhexadecanedioic acid is found in fruits. xi-8-Hydroxyhexadecanedioic acid is a constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. Constituent of various plant cutins including Indian wood apple (Limonia acidissima) and tomato. xi-8-Hydroxyhexadecanedioic acid is found in fruits and garden tomato.
Yucalexin A16
Yucalexin A16 is found in root vegetables. Yucalexin A16 is a stress metabolite of cassava root (Manihot esculenta). Stress metabolite of cassava root (Manihot esculenta). Yucalexin A16 is found in root vegetables.
Retinyl ester
Retinyl ester is a substrate for Lecithin retinol acyltransferase and Retinal pigment epithelium-specific 65 kDa protein. [HMDB] Retinyl ester is a substrate for Lecithin retinol acyltransferase and Retinal pigment epithelium-specific 65 kDa protein. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Yucalexin B14
Yucalexin B14 is found in root vegetables. Yucalexin B14 is a constituent of Manihot esculen (cassava). Constituent of Manihot esculen (cassava). Yucalexin B14 is found in root vegetables.
(1R,4Ar,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid
14(R)-Hydroxy-retro-vitamin A
2-Methyltestosterone
(1R,4R,5S,9R,10S,13R)-5,9-Dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Kaurenoic acid, also known as kaur-16-en-18-oic acid or kaurenoate, is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Kaurenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Kaurenoic acid can be found in sunflower, which makes kaurenoic acid a potential biomarker for the consumption of this food product. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1]. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1].
Abietic acid
3,7,11,15-Tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
Dimethandrolone
Gemcabene
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent Gemcabene (PD-72953), a first-in-class lipid-lowering agent, lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C) and lowers pro-inflammatory acute-phase protein, C-reactive protein (CRP), exerting anti-inflammatory activity[1][2][3].
Androst-5-en-3-one, 17-hydroxy-7-methyl-, (7alpha,17beta)-
17-Epimethyltestosterone
Oryzalexin B
Oryzalexin b is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Oryzalexin b is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Oryzalexin b can be found in rice, which makes oryzalexin b a potential biomarker for the consumption of this food product.
Salviol
Salviol is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Salviol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Salviol can be found in common sage, which makes salviol a potential biomarker for the consumption of this food product.
19-Trachylobanoic acid
19-trachylobanoic acid is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. 19-trachylobanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 19-trachylobanoic acid can be found in sunflower, which makes 19-trachylobanoic acid a potential biomarker for the consumption of this food product.
Kaurenoic_acid
Ent-kaur-16-en-19-oic acid is an ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity. It has a role as an anti-HIV-1 agent, an antineoplastic agent and a plant metabolite. It is a conjugate acid of an ent-kaur-16-en-19-oate. Kaurenoic acid is a natural product found in Xylopia aromatica, Xylopia emarginata, and other organisms with data available. An ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1]. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1].
(3E,5E,10E)-7-Hydroxy-13-keto-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
[1R-[1R*,2E,4S*(Z),6E,10S*]]-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-dien-4-yl ester 2-methyl-2-butenoic acid
1-Hydroxy-4b,8,8-trimethyl-12-methylene-2,10a-ethanotetradecahydrophenanthrene-10-one
Gibberosin K
A diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity.
[2R-[2alpha(Z),4beta,4abeta]]-2,3,4,4a,7,8-Hexahydro-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
Abietic acid
Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2]. Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2].
Communic Acid
Communic Acid is a natural product found in Libocedrus bidwillii, Larix gmelinii, and other organisms with data available.
sandaracopimaric acid
A pimarane diterpenoid that is (1S,4aS,4bS,7R,10aS)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene carrying a carboxy group at position 1 and a vinyl group at position 7. It is a natural product found in several plant species.
(3Z,5E,10E)-7-Hydroxy-13-keto-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
cleroda-3,13-dien-16,15-olide|ent-3,13-Clerodadien-15,16-olide|Silidagolacton|solidago lactone|solidagolactone
3alpha-Hydroxy-Delta15-stachen-2-on|ent-3beta-hydroxy-15-beyeren-2-one|ent-3beta-Hydroxybeyer-15-ene-2-one
7alpha,8alpha-Epoxide 鈥樎?3E,7E)-3,7,12(18)-Dolabellatrien-13-one
5,8,14,17-cis-nonadecapentaenoic acid methyl ester
2alpha-hydroxy-15,16-epoxi-ent-labda-8(17),13(16),14-triene
(4bS-(4balpha,8abeta,9alpha))-4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-3,9-phenanthrendiol|6beta-hydroxyferruginol|ferruginol
1-Ketone,15beta,16beta-epoxide-15-Beyeren-1-ol|ent-15,16-epoxybeyer-1-one|Stach-15-en-1-on-15,16-epoxid
(3?鈥?4E,6E,10E)-3-Hydroxy-1,4,6,10,14-phytapentaen-13-one|(4E,6E,10E)-3-Hydroxy-1,4,6,10,14-phytapentaen-13-one
12-Isocopalene-15,16-dial|ent-isocopal-12-en-15,16-dial
2-oxo-18-hydroxy-10alpha,17alpha,19alpha,20beta-(-)-cleroda-3,13(16),14-triene
3alpha-hydroxy-11-oxolabda-8(17),13(16),14-triene|3??-Hydroxy-11-oxo-labda-8(17),13(16),14-triene
(3R,4R)-methyl 4-(((2R,4R,5R)-4-ethyltetrahydro-5-methoxy-2-methylfuran-2-yl)methyl)-3-hydroxyhexanoate|plakortether G
(5R*,8S*,9S*,12S*,14S*)-9-hydroxydolasta-1,3-dien-6-one
11beta-hydroxy-7-oxo-rosa-5,15-diene|11??-Hydroxy-7-oxo-rosa-5,15-diene
3,4-seco-cleistantha-4(18),13(17),15-trien-3-oic acid
(15R,16S)-ent-15,16-epoxybeyeran-3-one|excoecarin E
3alpha,4alpha-epoxy-5alpha-hydroxysphenoloba-13Z,16E,18-triene
(-)-15-Kauren-18-saeure|ent-kaur-15-en-19-oic acid|Isokaurensaeure|Kauren-15-saeure-(18)
(1R,3E,7S,8S,11S,12S)-7,8-epoxy-14-oxo-3,18-dolabelladiene
A natural product found in Dilophus spiralis.
(ent-1beta)-1-Hydroxy-15-beyeren-2-one|1alpha-Hydroxystach-15-en-2-on|ent-1beta-hydroxybeyer-15-en-2-one
Phenanthro[3,2-b]furan-4-methanol, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11-trimethyl-
8,12:15,16-Diepoyx-13(16),14-labdadiene-(8alpha,13alphaH)-form
(1R*,3R*)-3-Hydroxydolabella-4(16),7,11(12)-triene-13-one
11beta-hydroxy-7-oxopimar-8(9),15-dien|11beta-hydroxy-isopimara-8, 15-dien-7-one
(-)-(5S,6R,8S,9S,10R,14R)-6-hydroxyvouacapane|(5alpha,6beta,8beta)-vouacapan-6-ol|6beta-hydroxyvouacapane
(E)-2-[(E)-4-methyl-6-(2,6,6-trimethylcyclohex-2-enyl)hex-3-enyl]but-2-enedial
1alpha-Methyl-5alpha-androstan-3,17-dion|1alpha-Methyl-5alpha-androstandion-(3,17)
(ent-5alpha)-3,13(16),14-Clerodatrien-18-oic acid|cis-clerod-3,13(16),14-trien-19-oic acid
eicosa-4,8,12,15,18-pentaenoic acid|Eicosa-4,8,12,15,18-pentaensaeure|Thymnodonsaeure
(10xi,13(15)Z)-10-Hydroxy-13(15),17-spatadien-12-al
(4E,8E,12S,13S)-5,9-dimethyl-12-(1-methylethyl)-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-15-one|sacrophytonolide L
(4aS,10aS)-1,2,3,4,4a,9,10,10a-octahydro-6,7-dihydroxy-8-isopropyl-1,1,1,4a-trimethylphenanthrene|12,13-dihydroxy-14-isopropylpodocarpa-8,11,13-triene|8,11,13-totaratriene-12,13-diol|titara-8,11,13-triene-12,13-diol|totara-8,11,13-triene-12,13-diol
3,4-Secoisopi-mara-4(18),7,15-trien-3-oic acid|3,4-secoisopimara-4(18),7,15-trien-3-oic acid
2-Isosarcophytoxid|2-Isosarrophytoxid|Isosarcophytoxide
(2S,4aS,10aR)-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
10-hydroxy-10beta-ros-15-en-19-oic acid-lactone|10-Hydroxy-10beta-ros-15-en-19-saeure-lacton|7-deoxyrosenonolactone|Deoxyrosenvuvlacton
ent-1-Hydroxy-15-beyeren-2-one|ent-17-hydroxybeyer-15-en-1-one
ent-14alpha-hydroxykauren-15-one|ent-14??-Hydroxy-16-kauren-15-one
(3S*,4R*)-cyatha-12,18-diene-15-oic acid|nigernin B
3,4-secokaur-4(18),15-dien-3-oic acid|agallochaol N
agallochaol M|ent-3,4-secoatisan-4(18),16-dien-3-oic acid
18-hydroxy-1betaH,2alphaH-casba-3E,7E,11E-trien-5-one|pekinenin A
(3beta)-abieta-8,11,13-triene-3,15-diol|isolophanthin A
(5S,6R,10S)-14-dihydroxyabieta-8,11,13-triene|salvadoriol
5-[2-(3-Furyl)ethyl]-1,5,6,8a-tetramethyloctahydro-2(1H)-naphthalenone
17-hydroxy-ent-kaur-15-en-3-one|17-hydroxykaur-15-en-3-one
(1R,3Z,7S,8E,11S,12S)-7-hydroxy-14-oxo-3,8,18-dolabellatriene
fokihodgin E|isopimara-8(14),11,15-triene-7alpha,18-diol
(ent-12Z)-3,12,14-Clerodadien-20-oic acid|heteroscyphic acid A
(ent-16S)-form-2,12-Kauranedione|16(R)-(-)-kaurane-2,12-dione
(1R,4aS,11aS)-1,2,3,4,4a,10,11,11a-octahydro-1,4a-dimethyl-8-(1-methylethyl)dibenz[b,f]oxepin-1-methanol|9,10alpha-epoxy-18-hydroxy-9,10-secoabieta-8,11,13-triene|wardinol A
(1R,2R,4aS,5R,8aS)-decahydro-2-hydroxy-1,4a-dimethyl-5-[(2Z)-3-methylpenta-2,4-dien-1-yl]-6-methylenenaphthalene-1-carboxylic acid|(3alpha,12Z)-3-hydroxy-ent-labda-8(20),12,14-trien-18-oic acid|labdorffianic acid A
(6E,6E,11Z)-3-Hydroxy-1,4,6,11,14-phytapentaen-13-one
17-hydroxy-ent-kaur-15-en-19-al|rel-(2R,4aR,4bS,8R,8aS,10aR)-dodecahydro-12-(hydroxymethyl)-4b,8-dimehyl-1H-2,10a-ethanophenanthrene-8-carboxaldehyde
(1S*,6S*,11S*)-6-hydroxydolabella-3E,7E,12-trien-14-one
(1R,3E,7Z,11S,12S)-dalabella-3,7,18-trien-17-oic acid
(3alpha,4alpha,15E)-3,4-Epoxy-13,15,17-sphenolobatrien-5-ol|3alpha,4alpha-epoxy-5alpha-hydroxysphenoloba-13,15E,17-triene
15,16-epoxylabda-8(17),11,13-trien-16-ol (E)|chinensine C
2alpha-form-8, 11, 13-Abietatriene-2, 19-diol|dehydroabietinol
1(14),7(8),15(17)-trinervitadiene-2beta,3alpha-diol
(+)-Elisabethin F|(1R,3S,3aR,5S,6R,6aR,10aS)-1,2,3,3a,4,5,6,6a-octaahydro-3,6,9-trimethyl-1-(2-methylprop-1-enyl)benz[d]indene-5,7-diol
1-Ketone-8,15-Isopimaradiene-1,9-diol|sandaracopimaradien-9alpha-ol-1-one
2beta-Hydroxy-15-stachen-1-one|ent-2beta-hydroxybeyer-15-en-1-one
(2R*,3S*,6R*,10R*)-2,6-cyclo-1(9),13-xenicadiene-18,19-dial
(+)-(2Z,6E)-10r,11t-epoxy-13c-isopropenyl-2,6,10-trimethyl-cyclotetradeca-2,6-dienone|(1S,3S,4S,7E,11E)-3,4-Epoxy-7,11,15-cembratrien-13-one
7beta-hydroxyisopimara-8,15-dien-14-one|7??-Hydroxyisopimara-8,15-dien-14-one
14alpha-hydroxyisopimara-7,15-dien-1-one|14??-Hydroxyisopimara-7,15-dien-1-one
(ent)-5(10),13-Halimadien-15,16-olide|5(10),13E-ent-halimadien-15,16-olide|ent-halima-5(10),13-dien-15,16-olide|ent-halima-5(10),13-dien-16,15-olide
(ent)-1(10),13-Halimadien-15,16-olide|ent-halima-1(10),13-dien-16,15-olide
11beta-hydroxy-7-ketosandaracopimar-8(14),15-diene
2,13-diketo-(1S*,4S*,11R*)-dolabella-7(E),12(18)-diene|7,12(18)-Dolabelladiene-2,13-dione
(+)-(3S,4E,16E,18S)-icosa-4,16-diene-1,19-diyne-3,18-diol|(3RS,4E,16E,18RS)-icosa-4,16-diene-1,19-diyne-3,18-diol
(ent-14alphaH)-15,16-Epoxy-12-cleistathen-11-one|15,16-epoxycleistanth-12-en-11-one
7beta,15-dihydroxyabietatriene|7beta-8,11,13-Abietatriene-7,15-diol
(5S,6R,9S,10S,13R)-1,11-dihydroxypimara-8(14),15-diene
ent-12beta-hydroxypimara-8(14),15-dien-3-one|Yucalexin P13
(3E,7Z,11E)-19-hydroxycasba-3,7,11-trien-5-one|rel-(1R,2E,10E,14S)-7-(hydroxymethyl)-3,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
16beta-H-ent-kauran-17,19-dial|17,19-Dioxo-16alpha-(-)-kauran
(3E, 7??, 8??)-form-7, 8-Epoxy-3, 12-dolabelladien-14-one
18-hydroxy-2-oxorosa-1(10),15-diene|18-hydroxy-3-deoxyhugorosenone
cleroda-4(18),13-dien-16,15-olide|ent-4(18),13-Clerodadien-15,16-olide
19-Hydroxy-15-stachen-1-one|19-Hydroxystach-15-en-1-on
15-Hydroxy-8,11,13-Abietatrien-12-ol|15-hydroxyferruginol
7beta-hydroxyisopimara-8(14),15-dien-1-one|7??-Hydroxyisopimara-8(14),15-dien-1-one
7-deoxogeayin|ent-3,4-seco-kaur-4(19),16(17)-dien-3-oic acid
3R,4R-epoxy-13-keto-1R,11S-dolabell-7E,12(18)-diene|claenone
15,16-Epoxy-12-hydroxylabda-8(17),13(16),14-triene
Pimaradienoic acid
Continentalic acid is a natural product found in Herbertus norenus, Pseudognaphalium gaudichaudianum, and other organisms with data available. Continentalic acid from Aralia continentalis has minimum inhibitory concentrations (MICs) of approximately 8-16 μg/mL against S. aureus, including the Methicillin (HY-121544) susceptible Staphylococcus aureus (MSSA) and Methicillin-resistant Staphylococcus aureus (MRSA) standard strains[1].
12E,14-Labdadien-20,8β-olide
Rosin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.566 D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.569 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.570 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.573 Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2]. Abietic acid, a diterpene isolated from Colophony, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2].
17-Methyltestosterone
Abietic acid - CASMI2016 Category 1 - Challenge 14
C20H30O2_(5xi,9xi,13alpha)-Pimara-7,15-dien-18-oic acid
C20H30O2_Abieta-8(14),9(11),12-triene-7,18-diol
C20H30O2_(5xi,9xi,10alpha)-Kaur-16-en-18-oic acid
Eicosapentaenoic acid
Eicosapentaenoic Acid (EPA) is an orally active Omega-3 long-chain polyunsaturated fatty acid (ω-3 LC-PUFA). Eicosapentaenoic Acid exhibits a DNA demethylating action that promotes the re-expression of the tumor suppressor gene CCAAT/enhancer-binding protein δ (C/EBPδ). Eicosapentaenoic Acid activates RAS/ERK/C/EBPβ pathway through H-Ras intron 1 CpG island demethylation in U937 leukemia cells. Eicosapentaenoic Acid can promote relaxation of vascular smooth muscle cells and vasodilation[1][2][3]. Eicosapentaenoic Acid (EPA) is an orally active Omega-3 long-chain polyunsaturated fatty acid (ω-3 LC-PUFA). Eicosapentaenoic Acid exhibits a DNA demethylating action that promotes the re-expression of the tumor suppressor gene CCAAT/enhancer-binding protein δ (C/EBPδ). Eicosapentaenoic Acid activates RAS/ERK/C/EBPβ pathway through H-Ras intron 1 CpG island demethylation in U937 leukemia cells. Eicosapentaenoic Acid can promote relaxation of vascular smooth muscle cells and vasodilation[1][2][3].
C20H30O2_1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1S,4aR,10aR)
methyltestosterone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03E - Androgens and female sex hormones in combination > G03EK - Androgens and female sex hormones in combination with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03B - Androgens > G03BA - 3-oxoandrosten (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D000970 - Antineoplastic Agents
(1R,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
(5R,9S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
EPA-[d5]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0139.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0139.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0139.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001335.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001335.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001335.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001335.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001335.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001335.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Isopimaric acid
Isolated from Pinus palustris (pitch pine) Isopimaric acid is a potent opener of large conductance calcium activated K+ (BK) channels. Isopimaric acid is a potent opener of large conductance calcium activated K+ (BK) channels.
(1R,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid_major
(1R,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid_minor
1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_minor
7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid_major
1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_major
Kaurenic acid
Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1]. Kaurenoic acid is a diterpene from Sphagneticola trilobata, inhibits Inflammatory Pain by the inhibition of cytokine production and activation of the NO–cyclic GMP–PKG–ATP-sensitive potassium channel signaling pathway[1].
5Z,8Z,14Z-Eicosatrien-11-ynoic acid
N-Cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
2-(2-Methylpiperidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-(3-Methylpiperidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-(4-Methylpiperidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
4-(4-Methyl-1-piperazinyl)benzeneboronic acid pinacol ester
4-(PIPERAZIN-1-YL)-2,6-DI-(PYRROLIDIN-1-YL)-PYRIMIDINE
N-(4-methylcyclohexyl)-1-(2-pyrazinyl)-4-piperidinecarboxamide
emedastine
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Emedastine is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3].
