Exact Mass: 308.2086
Exact Mass Matches: 308.2086
Found 500 metabolites which its exact mass value is equals to given mass value 308.2086,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
bestatin
KEIO_ID B018; [MS2] KO009090 KEIO_ID B018 Bestatin is a natural, broad-spectrum, and competitive CD13 (Aminopeptidase N)/APN and leukotriene A4 hydrolase inhibitor. Bestatin has anticancer effects[1][2].
5-O-Methylembelin
5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle) 5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[1].
Tetraphyllicine
2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-1,4-naphthoquinone
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methylnaphthalene-1,4-dione
3beta,6alpha,17beta-Trihydroxy-5alpha-androstane
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Dihydrocapsiate
Dihydrocapsiate is a member of methoxybenzenes and a member of phenols. Dihydrocapsiate is under investigation in clinical trial NCT00999297 (Effect of 4-week Dihydrocapsiate Ingestion on Resting Metabolic Rate). Constituent of fruits of Capsicum annuum. Dihydrocapsiate is found in many foods, some of which are orange bell pepper, herbs and spices, fruits, and italian sweet red pepper. Dihydrocapsiate is found in fruits. Dihydrocapsiate is a constituent of fruits of Capsicum annuum Dihydrocapsiate, as a compound of capsinoid family, is an orally active TRPV1 agonist. Dihydrocapsiate can be used for the research of metabolism disease[1].
Oxybuprocaine
Oxybuprocaine is only found in individuals that have used or taken this drug. It is a local anesthetic, which is used especially in ophthalmology and otolaryngology. Oxybuprocaine binds to sodium channel and reversibly stabilizes the neuronal membrane which decreases its permeability to sodium ions. Depolarization of the neuronal membrane is inhibited thereby blocking the initiation and conduction of nerve impulses. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Corchorifatty acid D
Constituent of Corchorus olitorius (Jews mallow). Corchorifatty acid D is found in tea, herbs and spices, and green vegetables. Corchorifatty acid B is found in green vegetables. Corchorifatty acid B is a constituent of Corchorus olitorius (Jews mallow).
3-Methyl-5-pentyl-2-furannonanoic acid
3-methyl-5-pentyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-methyl-5-pentyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9M5. This refers to its 9-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 5-carbon alkyl moiety. It is a component of F acid fraction present in beef blood serum. Component of F acid fraction present in beef blood serum. 3-Methyl-5-pentyl-2-furannonanoic acid is found in animal foods.
5-Butyl-3,4-dimethyl-2-furannonanoic acid
5-Butyl-3,4-dimethyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Butyl-3,4-dimethyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9D4. This refers to its 9-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 4-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol is found in pomes. (R)-1-O-b-D-glucopyranosyl-1,3-octanediol is a constituent of apples Constituent of apples. (R)-1-O-b-D-glucopyranosyl-1,3-octanediol is found in pomes.
Diplodiatoxin
Diplodiatoxin is a metabolite of Diplodia maydis (parasite of sweet corn). Toxin causing diplodiosis disease of cattle and shee
Obtusilactone A
Isoobtusilactone A is found in herbs and spices. Isoobtusilactone A is isolated from Persea borbonia (red bay) and other Persea species. Isolated from Persea borbonia (red bay) and other Persea subspecies Isoobtusilactone A is found in herbs and spices.
Annosquamosin B
Annosquamosin B is found in fruits. Annosquamosin B is a constituent of Annona squamosa (sugar apple) Constituent of Annona squamosa (sugar apple). Annosquamosin B is found in fruits.
Corchorifatty acid A
Constituent of Corchorus olitorius (Jews mallow). Corchorifatty acid A is found in tea, herbs and spices, and green vegetables. Corchorifatty acid C is found in green vegetables. Corchorifatty acid C is a constituent of Corchorus olitorius (Jews mallow)
Methylgingerol
Present in ginger. Methylgingerol is found in herbs and spices and ginger. Methylgingerol is found in ginger. Methylgingerol is present in ginge
Gestrinone
Gestrinone was developed in the early 1970s and was tested clinically as a weekly oral contraceptive in European and North American countries. ]. Without significant advantages over other oral contraceptives and with its high price, gestrinone was no longer used after the Stage II clinical trial. However, from 1982 aroused widespread interest due to substantial therapeutic effects in treating endometriosis. Under different endocrine conditions, gestrinone possesses estrogenic, progestational, androgenic, antiestrogenic and antiprogesterone actions. Starting from gestrinone, chemists can synthesize tetrahydrogestrinone (THG) in one reaction step. THG is a real designer steroid; designer steroids (chemically modified steroids) pose a threat to the integrity of the sport community. These compounds have recently been detected in urine specimens from athletes, resulting in temporary or permanent suspension from amateur and/or professional competition. (PMID: 15934041, 17707720) [HMDB] Gestrinone was developed in the early 1970s and was tested clinically as a weekly oral contraceptive in European and North American countries. ]. Without significant advantages over other oral contraceptives and with its high price, gestrinone was no longer used after the Stage II clinical trial. However, from 1982 aroused widespread interest due to substantial therapeutic effects in treating endometriosis. Under different endocrine conditions, gestrinone possesses estrogenic, progestational, androgenic, antiestrogenic and antiprogesterone actions. Starting from gestrinone, chemists can synthesize tetrahydrogestrinone (THG) in one reaction step. THG is a real designer steroid; designer steroids (chemically modified steroids) pose a threat to the integrity of the sport community. These compounds have recently been detected in urine specimens from athletes, resulting in temporary or permanent suspension from amateur and/or professional competition. (PMID: 15934041, 17707720). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XA - Antigonadotropins and similar agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Indecainide
Indecainide is only found in individuals that have used or taken this drug. It is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.Indecainide acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers. C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
1,2,3-Tris(1-ethoxyethoxy)propane
1,2,3-Tris(1-ethoxyethoxy)propane is a flavouring ingredient. Aldehyde generator, useful for enhancing the fresh flavour of orange drinks. Flavouring ingredient. Aldehyde generator, useful for enhancing the fresh flavour of orange drinks
8-Hydroxycarteolol
8-Hydroxycarteolol is a metabolite of carteolol. Carteolol (trade names Cartrol, Ocupress, Teoptic, Arteolol, Arteoptic, Calte, Cartéabak, Carteol, Cartéol, Cartrol, Elebloc, Endak, Glauteolol, Mikelan, Poenglaucol, Singlauc) is a non-selective beta blocker used to treat glaucoma. (Wikipedia)
3-Methyl-5-propyl-2-furanundecanoic acid
3-methyl-5-propyl-2-furanundecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-methyl-5-propyl-2-furanundecanoic acid, in particular, can be described by the shorthand notation 11M3. This refers to its 11-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 3-carbon alkyl moiety.
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid, also known as 3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoic acid, is considered to be a practically insoluble (in water) and relatively neutral molecule.
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid, also known as 3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoic acid, is considered to be a practically insoluble (in water) and relatively neutral molecule.
3,4-Dimethyl-5-propyl-2-furandecanoic acid
3,4-Dimethyl-5-propyl-2-furandecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-propyl-2-furandecanoic acid, in particular, can be described by the shorthand notation 10D3. This refers to its 10-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 3-carbon alkyl moiety. It has been identified in the fish liver.
5-Ethyl-3,4-dimethyl-2-furanundecanoic acid
5-Ethyl-3,4-dimethyl-2-furanundecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Ethyl-3,4-dimethyl-2-furanundecanoic acid, in particular, can be described by the shorthand notation 11D2. This refers to its 11-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 2-carbon alkyl moiety. It has been identified in the fish liver.
5-Hexyl-3,4-dimethyl-2-furanheptanoic acid
5-Hexyl-3,4-dimethyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Hexyl-3,4-dimethyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7D6. This refers to its 7-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 6-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
3,4-Dimethyl-5-pentyl-2-furanoctanoic acid
3,4-Dimethyl-5-pentyl-2-furanoctanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-pentyl-2-furanoctanoic acid, in particular, can be described by the shorthand notation 8D5. This refers to its 8-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 5-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
(2R)-2-[[(2S,3R)-3-Amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid
2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)
5alpha-Androstane-3beta,7alpha,17beta-triol
Baquiloprim
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
(8R,9S,10S,13S,14S,17R)-16-Fluoro-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
[7]-Gingerol
[7]-gingerol is a member of the class of compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one. [7]-gingerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [7]-gingerol can be found in ginger, which makes [7]-gingerol a potential biomarker for the consumption of this food product.
Ubenimex
Ubenimex (also known as bestatin) is a competitive protease inhibitor. It is an inhibitor of aminopeptidase B, leukotriene A4 hydrolase, aminopeptidase N. It is being studied for use in the treatment of acute myelocytic leukemia. Ubenimex is a microbial metabolite and dipeptide with potential immunomodulatory and antitumor activities. Ubenimex competitively inhibits many aminopeptidases, including B, N and leucine aminopeptidases. Aminopeptidases has been implicated in the process of cell adhesion and invasion of tumor cells. Therefore, inhibiting aminopeptidases may partially attribute to the antitumor effect of ubenimex. This agent also activates T lymphocyte, macrophage and bone marrow stem cell as well as stimulates release of interleukin-1 and -2, thus further enhances its antitumor activity. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D000970 - Antineoplastic Agents D007155 - Immunologic Factors Bestatin is a natural, broad-spectrum, and competitive CD13 (Aminopeptidase N)/APN and leukotriene A4 hydrolase inhibitor. Bestatin has anticancer effects[1][2].
[1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-4-Ethoxy-1,2,3,4,4a,5,6,8a-octahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
9-deacetoxyfumigaclavine C
An ergot alkaloid that is ergoline substituted by a 2-methylbut-3-en-2-yl group at position 2 and methyl groups at positions 6 and 8 (the 8beta stereoisomer). It is isolated from an endophytic fungus, Aspergillus fumigatus, and exhibits potent cytotoxicity against human leukemia cells (K562).
Diacetolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Baquiloprim
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE standard compound; INTERNAL_ID 1178
3-(1-methyl-piperidin-2-yl)-3,4-dihydro-2H-benzo[c]pyrido[1,2-a]azepin-6-one
ent-6alpha,8alpha,18-trihydroxylabda-13(16),14-diene
1.3-Epimanoyloxid|3.4a.7.7.10a-Pentamethyl-perhydro-1H-naphtho<2.1-b>pyrancarbonsaeure-(3)
8-Ac-1,11,14-Heptadecatriene-8,9-diol|8-acetoxy-9-hydroxyheptadeca-1,11,14-triene
8,11-epoxy-9,10-dimethylhexadeca-8,10-dienoic acid methyl ester
3alpha-hydroxy-13-oxo-14,15-dinor-labd-8(17)-en-19-oic acid
9-Ac-1,11,14-Heptadecatriene-8,9-diol|9-acetoxy-8-hydroxyheptadeca-1,11,14-triene
(+/-)-nitraraine|(-)-nitraraine|Alloyohimb-16-en-16-methanol|Nitraraine|yohimb-16-en-16-yl-methanol
3-[(7-Hydroxy-13-methyl-1-tetradecene-3,5-diynyl)-oxy]-1,2-propanediol
N(1)-methyl-14,15-didehydro-12-hydroxyaspidofractinine
(10S)-3c.11t.17c-Trihydroxy-10r.13c-dimethyl-(5tH.8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren|3beta,11alpha,17beta-trihydroxy-5alpha-androstane|3beta.11alpha.17beta-Trihydroxy-10.13-dimethyl-5alpha-gonan|5alpha-Androstan-3beta,11alpha,17beta-triol|5alpha-androstane-3beta,11alpha,17beta-triol|5alpha-Androstantriol-(3beta.11alpha.17beta)
9-(1,3-Nonadienyloxy)-8-nonenoic acid methyl ester
3beta,6alpha,17beta-androstantriol|5alpha-Androstan-3beta,6alpha,17beta-triol|5alpha-androstane-3beta,6alpha,17beta-triol|androstane-3beta,6alpha,17beta-triol
3beta,7beta,17beta-Trihydroxy-5alpha-androstan|3beta,7beta,17beta-trihydroxy-5alpha-androstane|5alpha-Androstan-3beta,7beta,17beta-triol|5alpha-androstane-3beta,7beta,17beta-triol
methyl (+)-(3R,4E,6Z,15E)-3-hydroxyoctadeca-4,6,15-trienoate
(+)-(3R,4E,6Z,15E)-3-methoxyoctadeca-4,6,15-trienoic acid
3beta,11alpha,16beta-trihydroxy-5alpha-androstane|5alpha-androstane-3beta,11alpha,16beta-triol
(1S,2E,4S,6R,7E)-4,6-dihydroxy-20-nor-2,7-cembradien-12-one
methyl (2Z,11Z,1R,2R)-2-(1,2-dihydroxypropyl)tetradeca-2,11-dien-13-ynoate
2-Hydroxy-cis-9,cis-12,cis-15-octadecatriensaeuremethylester|alpha-Hydroxylinolensaeuremethylester|methyl alpha-hydroxy linolenate
(+)-(4aS,12bS)-4,4,12b-trimethyl-1,2,3,4,4a,5,6,12b-octahydrobenzo[a]anthracene-8,11-dione|(+)-cyclozonarone|Cyclozonarone
(1R*,3S*,4S*,7S*,8S*,11S*,14R*)-3,4:7,8-diepoxy-1,4,8,12,12-pentamethylbicyclo<9.3.0>tetradecan-14-ol|(1R*,3S*,4S*,7S*,8S*,11S*,14R*)-3,4:7,8-diepoxy-1,4,8,12,12-pentamethylbicyclo[9.3.0]tetradecan-14-ol
Ac -ent-12-Hydroxy-13,14,15,16-tetranor-1(10)-halimen-18-oic acid
3-hydroxy-3,7,11-trimethyldodeca-1,6E,10-trien-9-yl isobutyrate
Palmityl Trifluoromethyl Ketone
PACOCF3 (Palmityltrifluoromet?hylketone) is a selective phospholipase A2 inhibitor with an IC50 of 3.8 μM. PACOCF3 alters Ca2+ signaling in renal tubular cells[1][2].
5-O-Methylembelin
5-O-methyl embelin is a member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease. It has a role as a metabolite, a hepatitis C protease inhibitor, an antileishmanial agent and an antineoplastic agent. It is an enol ether and a member of monohydroxy-1,4-benzoquinones. It is functionally related to an embelin. 5-O-Methylembelin is a natural product found in Lysimachia punctata, Embelia schimperi, and other organisms with data available. 5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle) 5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[1].
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol
C18H28O4_(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845933]
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based: Match]
2-(3-(8-Hydroxyoctyl)phenoxy)-2-methylpropanoic acid
2-Pyrrolidinone, 4-(2-aminoethyl)-1-ethyl-3,3-diphenyl- (AHR 5904)
Gestrinone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XA - Antigonadotropins and similar agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Indecainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol
Annosquamosin B
diplodiatoxin
Dihydrocapsiate
Dihydrocapsiate, as a compound of capsinoid family, is an orally active TRPV1 agonist. Dihydrocapsiate can be used for the research of metabolism disease[1].
Cymatherol A
Cymatherol B
2-Methoxycarbonyl-1-phenylethylboronic acid pinacol ester
1-BOC-2-[(4-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(2-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(3-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(4-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(4-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
2′-(Di-tert-butylphosphino)acetophenone ethylene ketal
tert-butyl 4-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
.alpha.,.alpha.,.alpha.-1,2,6-hexanetriyltris[.omega.-hydroxy-Poly[oxy(methyl-1,2-ethanediyl)]
3-[[4-[3-aminopropyl(dimethyl)silyl]phenyl]-dimethylsilyl]propan-1-amine
butyl 2-(cyclohexylcarbamoylamino)cyclopentene-1-carboxylate
1-BENZYL-4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4-PIPERIDINE]
methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate
1-BOC-3-[(2-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
5-Ethyl-2-[4-(4-propylcyclohexyl)phenyl]pyrimidine
1-BOC-2-[(2-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-2-[(3-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
tert-Butyl 4-(benzylamino)-3-fluoropiperidine-1-carboxylate
(5-Aminopentyl)(phenylmethoxy)carbamic acid 1,1-dimethylethyl ester
Hexadecanesulfonyl fluoride
AM 374 is an fatty acid amide hydrolase (FAAH) inhibitor. AM 374 inhibits amidase activity with an IC50 value of 13 nM. AM 374 can be used for the research of neurological disease[1][2].
9-[(2R,3S)-3-Methyl-3-ethyloxirane-2-yl]-3,7-diethyl-2,6-nonadienoic acid methyl ester
5alpha-Androstane-3beta,7alpha,17beta-triol
A 3beta sterol that is 5alpha-androstane which is substituted by beta-hydroxy groups at positions 3 and 17 and by an alpha-hydroxy group at position 7. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Oxybuprocaine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(8R,9S,10S,13S,14S,17R)-16-Fluoro-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
[3-Carboxy-2-(4-phenylbutanoyloxy)propyl]-trimethylazanium
(10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid methyl ester
A fatty acid methyl ester isolated from leaves and twigs of Ehretia dicksonii. It exhibits anti-inflammatory and inhibition of lipoxygenase activities.
1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
[(2R,3R,6S)-3-amino-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-oxanyl]methanol
[(2S,3S,6R)-3-amino-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-oxanyl]methanol
(8S,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
(3R,5R)-7-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
2,6-Dimethyl-9-(N-methylpiperazinylcarbamoyl)-2,6-nonadienoic acid
2-[4-(2-Trimethylsilyloxy-2-methylpropyl)phenyl]propanoic acid methyl ester
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol
2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxyacetic acid
(1R,9R,10S,12R,13E,16S,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
(10E,12E,14E)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoic acid
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
5alpha-androstane-3beta,6alpha,17beta-triol
A 3beta sterol that is 5alpha-androstane which is substituted by beta-hydroxy groups at positions 3 and 17 and by an alpha-hydroxy group at position 6.
5-O-methyl embelin
A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease.
5α-Androstane-3β,5,6β-triol
5α-Androstane-3β,5,6β-triol is a neuroprotectant. 5α-Androstane-3β,5,6β-triol can remarkably reverse intracellular acidification and alleviate neuronal injury through the inhibition of AMPK signaling. 5α-Androstane-3β,5,6β-triol remarkably reduced the infarct volume and attenuated neurologic impairment in acute ischemic stroke models of middle cerebral artery occlusion in vivo[1].
(1s,14r,19r)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(10),4,6,8,17-pentaen-17-ylmethanol
(1r,12s,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-11-one
(4as,12bs)-4,4,12b-trimethyl-1,2,3,4a,5,6-hexahydrotetraphene-8,11-dione
(2s,3r,12br)-3-ethenyl-2-[(1e)-2-methoxyethenyl]-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
3-ethenyl-2-(2-methoxyethenyl)-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
8-[(1r,5s)-5-hydroxy-4-oxo-5-[(2z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoic acid
9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-1,2,7-triol
methyl (2z,11z)-2-[(1r,2r)-1,2-dihydroxypropyl]tetradeca-2,11-dien-13-ynoate
(3r,4as,6as,8s,10ar,10bs)-3-ethenyl-4a,7,7,10a-tetramethyl-octahydro-1h-naphtho[2,1-b]pyran-3,8-diol
methyl 8-[(1s,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl]octanoate
methyl 2-[(1r,4r,4ar,6s,8as)-4-ethoxy-6-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate
methyl 2-[(3s,3as,5r,8s,8as)-3-(acetyloxy)-3a,8-dimethyl-octahydro-1h-azulen-5-yl]prop-2-enoate
(10s,11e,14r)-10-hydroxy-14-[(2z)-pent-2-en-1-yl]-1-oxacyclotetradec-11-ene-2,13-dione
1-(5-hydroxy-3-methylpentyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalene-4a-carboxylic acid
(2r,3s,5r,6r,8r)-8-[(1e)-dec-1-en-1-yl]-4,9-dioxatricyclo[5.3.0.0³,⁵]dec-1(7)-ene-2,6-diol
4,4,12b-trimethyl-1,2,3,4a,5,6-hexahydrotetraphene-8,11-dione
(1s,4s,5r,9s,10s,13r,14s)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5,14-diol
3-{2-[(5-amino-5-carboxypentyl)-c-hydroxycarbonimidoyl]ethyl}-1,4-dimethylpyridin-1-ium
5-hydroperoxy-5,9,13-trimethyltetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadecan-13-ol
(3r)-5-[(1r,4as,6s,8ar)-6-hydroxy-5,5-dimethyl-2-methylidene-octahydronaphthalen-1-yl]-3-methylpentanoic acid
[(1r,2r,5r,9r,10s,12s,16r)-6,10,14,14-tetramethyl-4,13,15-trioxatetracyclo[7.6.1.0¹,¹².0⁵,¹⁶]hexadec-6-en-2-yl]methanol
methyl 2-[(5r)-3,5-diethyl-5-[(2s)-2-ethylhexyl]furan-2-ylidene]acetate
(4r,6r)-6-{2-[(1r,2r,3s,8ar)-3-hydroxy-2-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
(2r,3r,4s,5s,6r)-2-{[(3r)-3-ethyl-4-hydroxy-4-methylpentyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(16s)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(1s,4as,5s,8ar)-5-(3-carboxypropyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
10-methyl-5-pentyl-13-(prop-1-en-2-yl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-3-ol
methyl 8-[3-oxo-2-(pent-2-en-1-yl)cyclopentyl]octanoate
(3e,4s)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
(1s,2r,4as,6r,8r,8as)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-2-carboxylic acid
(4r,5r,8r,9r,10r,11s)-10-(hydroxymethyl)-5-isopropyl-4,11-dimethyl-14-oxatetracyclo[9.2.1.0¹,⁹.0⁴,⁸]tetradecan-9-ol
19-nor-ent-kaurane-4α,16β,17-triol
{"Ingredient_id": "HBIN002204","Ingredient_name": "19-nor-ent-kaurane-4\u03b1,16\u03b2,17-triol","Alias": "NA","Ingredient_formula": "C19H32O3","Ingredient_Smile": "CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15757","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-amorphene-3,11-diol; 3ξ-form,3-(2-methylpropanoyl)
{"Ingredient_id": "HBIN010218","Ingredient_name": "4-amorphene-3,11-diol; 3\u03be-form,3-(2-methylpropanoyl)","Alias": "NA","Ingredient_formula": "C19H32O3","Ingredient_Smile": "NA","Ingredient_weight": "308.46","OB_score": "NA","CAS_id": "159662-30-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7859","PubChem_id": "NA","DrugBank_id": "NA"}
affinisine
{"Ingredient_id": "HBIN014774","Ingredient_name": "affinisine","Alias": "NA","Ingredient_formula": "C20H24N2O","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)CO","Ingredient_weight": "308.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "669","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101286222","DrugBank_id": "NA"}
androstane-3,11,17-triol
{"Ingredient_id": "HBIN016034","Ingredient_name": "androstane-3,11,17-triol","Alias": "NA","Ingredient_formula": "C19H32O3","Ingredient_Smile": "CC12CCC(CC1CCC3C2C(CC4(C3CCC4O)C)O)O","Ingredient_weight": "308.5 g/mol","OB_score": "13.18742492","CAS_id": "NA","SymMap_id": "SMIT04306","TCMID_id": "NA","TCMSP_id": "MOL001976","TCM_ID_id": "NA","PubChem_id": "22216290","DrugBank_id": "NA"}
