Exact Mass: 310.1794
Exact Mass Matches: 310.1794
Found 500 metabolites which its exact mass value is equals to given mass value 310.1794
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sinapine
Sugar phosphate, also known as sinapoylcholine or sinapine, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Sugar phosphate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sugar phosphate can be found in a number of food items such as common sage, tea leaf willow, broccoli, and sweet bay, which makes sugar phosphate a potential biomarker for the consumption of these food products. Sugar phosphate exists in all living organisms, ranging from bacteria to humans. Sinapine (CAS: 18696-26-9), also known as sinapoylcholine, belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. Sinapine is an extremely weak basic (essentially neutral) compound (based on its pKa). Sinapine has been detected, but not quantified, in garden cress and horseradish. Sinapine is found in brassicas. It is a storage protein isolated from the seeds of Brassica napus (rape). This could make sinapine a potential biomarker for the consumption of these foods. Sinapine is an acylcholine in which the acyl group specified is sinapoyl. It has a role as a photosynthetic electron-transport chain inhibitor, an antioxidant and a plant metabolite. It is functionally related to a trans-sinapic acid. Sinapine is a natural product found in Alliaria petiolata, Isatis quadrialata, and other organisms with data available. IPB_RECORD: 244; CONFIDENCE confident structure Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].
Cannabinol
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
Mestranol
Mestranol is only found in individuals that have used or taken this drug. It is the 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. [PubChem]Mestranol is the 3-methyl ether of ethinylestradiol. Ethinylestradiol, is a synthetic derivative of estradiol. Ethinylestradiol is orally bio-active and the estrogen used in almost all modern formulations of combined oral contraceptive pills. It binds to (and activates) the estrogen receptor. Mestranol is a biologically inactive prodrug of ethinylestradiol to which it is demethylated in the liver with a conversion efficiency of 70\\%.Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Nafenopin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D009676 - Noxae > D002273 - Carcinogens > D020025 - Peroxisome Proliferators D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Same as: D05102
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran
Menaquinol
This compound belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
Gestodene
Gestodene is only found in individuals that have used or taken this drug.Gestodene is a progestogen hormonal contraceptive. Products containing gestoden include Meliane, which contains 20 mcg of ethinylestradiol and 75 mcg of gestodene; and Gynera, which contains 30 mcg of ethinylestradiol and 75 mcg of gestodene. 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
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-6b,8a-dimethoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.
Valdiate
Constituent of Valeriana officinalis variety sambucifolia. Valdiate is found in tea, fats and oils, and herbs and spices. Valdiate is found in fats and oils. Valdiate is a constituent of Valeriana officinalis var. sambucifolia.
(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Pamatolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Plomestane
Magnesium octanoate
It is used in foods as a binder, emulsifier and anticaking agent.
N-Methylnuciferine
8beta-Acetoxy-9(12)-capnellene-8beta,10alpha,14-triol
8beta-acetoxy-9(12)-capnellene-2beta,5alpha,10alpha-triol
3-Ethyl-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10-dione
Cannabinodiol
Cannabinodiol is a natural product found in Cannabis sativa with data available. See also: Cannabis sativa subsp. indica top (part of).
2-dodecoxyethyl hydrogen sulfate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
2beta-acetoxy-Delta9(12)-capnellene-5alpha,8beta,10alpha-triol
Azuleno[5,6-c]furan-3(1H)-one, 8-ethoxy-4,4a,5,6,7,7a,8,9-octahydro-1,4-dihydroxy-6,6,8-trimethyl-
3alpha-acetoxy-4alpha-hydroxyeudesm-11(13)-en-12-oic acid
2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate
(1S*,4R*,5S*,8S*)-5-hydroxy-4-[(E)-7-hydroxy-4-methylhept-3-enyl]-4,8-dimethyl-3-oxabicyclo[3.3.0]octan-2,6-dione|gomadalactone C
(-)-14-decarbomethoxy-vincapusine|(-)-16-decarbomethoxyvincapusine
(1beta,8beta)-11-(acetyloxy)-1,8-dihydroxyguai-4-en-3-one|(5S,6R,8S,8aS)-5-[1-(acetyloxy)-1-methylethyl]-4,5,6,7,8,8a-hexahydro-6,8a-dihydroxy-3,8-dimethylazulen-2(1H)-one
4beta-Hydroxy-6alpha-acetoxy-11,13-dihydro-5,7alphaH,8,11betaH-eudesman-8,12-olide
N(a)-demethylaccedine|N-Demethyl-16-epi-accedin|N-demethyl-16-epi-accedine|sarpagane-3,17-diol
(1E,5E)-8beta-acetoxy-4-alpha-hydroxy-7-betaH-germacra-1(10),5-dien-14-oic acid|(1E,5R,6E,8R,9R)-9-(acetyloxy)-5-hydroxy-5-methyl-8-(propan-2-yl)cyclodeca-1,6-diene-1-carboxylic acid
(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-10-methoxy-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxy-10-methoxyapparicine
(1beta,4Z,6beta,8alpha)-8-(acetyloxy)-1,10-dihydroxy-6,11-cyclogermacr-4-en-15-al|isovalerianin A|rel-9-(acetyloxy)-6,7-dihydroxy-7,11,11-trimethylbicyclo[8.1.0]undec-2-ene-3-carboxaldehyde
(8S,9R)-9-Hydroxy-1H-cinchonan-2-on(?)|(8S,9R)-9-hydroxy-1H-cinchonan-2-one(?)
11-peroxy-8-oxo-9,10E-dehydro-10,11-dihydronerolidol acetate
3-ethyl-8-methyl-2,3-dihydro-1h-cyclopenta[a]chrysene
(-)-Wieland-Gumlich aldehyde|(17R)-Wieland-Gumich aldehyde|(17R,19E)-17,18-epoxy-cur-19-en-17-ol|17,18-epoxy-cur-19-en-17-ol|Desacetyl-diabolin|Desacetyldiabolin|Desacetylhenningsamin = Wieland-Gumlich-Aldehyd|Wieland - Gumlich aldehyde|Wieland-Gumich aldehyde|Wieland-Gumlich aldehyde|Wieland-Gumlich-Aldehyd
(5S)-5-hydroxy-1-(4,5-dihydroxy-3-methoxyphenyl)-decan-3-one|5-hydroxy-[6]-gingerol
8beta-acetoxy-5alpha-hydroxyhumul-1(10)Z-en-4alpha,14-olide
6alpha,8beta-dimethoxy-10beta-hydroxyeremophilenolide
1beta-acetoxy-11,12-epoxy-6-drimen-8alpha,11alpha-diol|1beta-acetoxy-11,12-epoxy-6-drimene-8alpha,11alpha-diol|1??-Acetoxy-11,12-epoxy-6-drimen-8??,11??-diol
(R)-(3E,5E,7E,9E,11E)-3,11-dimethyl-12-(2,4-dimethyl-3-oxocyclopent-1-enyl)dodeca-3,5,7,9,11-pentaen-2-one|falconensone A
Sinapine
Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2601; CONFIDENCE confident structure Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].
Gestodene
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
Mestranol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Altrenogest
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
Gestoden
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 CONFIDENCE standard compound; INTERNAL_ID 2807 CONFIDENCE standard compound; INTERNAL_ID 8740
C12-AE1S (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from WIN_N: mz309_17_rt20_01_HCD60_C12-AE1S; CONFIDENCE Tentative identification: best match only (Level 3)
cannabinol
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based: Match]
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate
2,3-Dehydrosalvipisone
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide
4,4,5,5-tetramethyl-2-[2-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane
6,6,12,12-tetramethyl-6,12-dihydroindeno[1,2-b]fluorene
(S)-N-((1S,2S)-2-HYDROXY-1,2-DIPHENYLETHYL)PYRROLIDINE-2-CARBOXAMIDE
Cetamolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
(R)-2-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-3-METHYL-BUTYRICACID
Plomestane
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
tert-butyl-[[1-(6-fluoropyridin-2-yl)pyrrolidin-3-yl]methoxy]-dimethylsilane
N-(2,6-DIMETHYLPHENYL)-1-PROPYLPIPERIDINE-2-CARBOXAMIDE HYDROCHLORIDE
6-(Benzylamino)pyridine-3-boronic acid pinacol ester
5-N-BENZYL-AMINO-PYRIDIN-3-YLBORONIC ACID PINACOL ESTER
tert-butyl 3-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
1H-Pyrrolo[2,3-b]pyridine, 4,5-difluoro-1-[tris(1-methylethyl)silyl]-
2-(2-(BENZYLOXY)-5-(TERT-BUTYL)PHENYL)-2-METHYLPROPANAL
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine,hydrochloride
(R)-Ethyl 2-amino-6-((tert-butoxycarbonyl)amino)hexanoate hydrochloride
6-[bis(tert-butoxycarbonyl)amino]-4-aminopyrimidine
(1S,2R,3S,5R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl chloride
1,1-bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane
(2S,4R)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
(3-acetylphenyl) 2-[4-(2-methylpropyl)phenyl]acetate
Ropivacaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
2-(3-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane
2-(4-Methoxy-4-biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6-(4-Methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide
(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one
(4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
Nafenopin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D009676 - Noxae > D002273 - Carcinogens > D020025 - Peroxisome Proliferators D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Same as: D05102
(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
2-(3-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
Sarpagine
An indole alkaloid that is sarpagan bearing hydroxy groups at positions 10 and 17.
(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate
4-hydroxy-7-methyl-8-[(2Z)-4-methylpenta-2,4-dienyl]-3-propan-2-ylnaphthalene-1,2-dione
[3-carboxy-2-[(2E,5Z,7E)-deca-2,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-deca-2,4,6-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-deca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E,8E)-deca-2,6,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,7E)-deca-2,4,7-trienoyl]oxypropyl]-trimethylazanium
(2S)-2-[(2,6-dimethylphenyl)carbamoyl]-1-propylpiperidinium chloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
1-(2-Methoxy-5-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide
3-methyl-N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
N-ethyl-N-(3-methylphenyl)-N-(7H-purin-6-yl)propane-1,3-diamine
7-Methyl-3-methyleneoctyl 4-methylbenzenesulfonate
[(1S,2aS,8bS)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aR,8bR)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
1-[1-[2-[(2S,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-triazolyl]-1-cyclopentanol
[(1R,2aR,8bR)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
(2Z,6Z)-2,6-Bis[(1,5-dimethylpyrazol-4-yl)methylidene]cyclohexan-1-one
(8R,9R,13S,14S,17S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)-
(8R,9R,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
(3S,4S)-5-Benzyloxy-3-methoxyethoxymethoxy-4-methylpentan-2-one
4-(Pentamethyldisilanyl)phenyl(trimethylsilyl)methanol
Sinapine
Sugar phosphate, also known as sinapoylcholine or sinapine, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Sugar phosphate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sugar phosphate can be found in a number of food items such as common sage, tea leaf willow, broccoli, and sweet bay, which makes sugar phosphate a potential biomarker for the consumption of these food products. Sugar phosphate exists in all living organisms, ranging from bacteria to humans. Sinapine (CAS: 18696-26-9), also known as sinapoylcholine, belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. Sinapine is an extremely weak basic (essentially neutral) compound (based on its pKa). Sinapine has been detected, but not quantified, in garden cress and horseradish. Sinapine is found in brassicas. It is a storage protein isolated from the seeds of Brassica napus (rape). This could make sinapine a potential biomarker for the consumption of these foods. Sinapine is an acylcholine in which the acyl group specified is sinapoyl. It has a role as a photosynthetic electron-transport chain inhibitor, an antioxidant and a plant metabolite. It is functionally related to a trans-sinapic acid. Sinapine is a natural product found in Alliaria petiolata, Isatis quadrialata, and other organisms with data available. An acylcholine in which the acyl group specified is sinapoyl. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].
7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4E-heptene-3-one
An enone that is 4E-heptene-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic activity.
caracurine VII
A monoterpenoid indole alkaloid with formula C19H22N2O2, isolated from several species of Strychnos.
mAChR antagonist 1
mAChR antagonist 1 (compound 4a) is a mAChR antagonist with Ki values of 255 nM, 121 nM, 158 nM, and 255 nM for M1, M3, M4, and M5 subtype, respectively[1].
(1s,4e,8z)-1,5,9-trimethyl-17-oxatricyclo[9.5.3.0¹⁴,¹⁸]nonadeca-4,8,11,13,15,18-hexaen-12-ol
(1s,2r,4r,5s,9s,10s,12r)-4,5-dihydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
(1'r,3s,3's,6's,9'e)-9'-ethylidene-10'-(hydroxymethyl)-7'-azaspiro[indole-3,4'-tricyclo[4.3.1.0³,⁷]decan]-2-ol
(1's,2s,2'r,5'r,7'r,9'r,11'r)-5'-(hydroxymethyl)-1',2'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-11'-yl acetate
(3s)-3-ethenyl-9-methyl-3-(4-methylpent-3-en-1-yl)-2h-furo[3,2-c]chromen-4-one
15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-1-ol
16-hydroxy-7,11-dimethyl-12-oxatetracyclo[9.7.1.0⁵,¹⁹.0¹³,¹⁸]nonadeca-5(19),7,13,15,17-pentaen-3-one
14-ethoxy-12-hydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.0³,⁷]tetradecan-5-one
13-isopropyl-10-methyl-5-pentyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-3-ol
4'-hydroxy-1,3,3',5',6',8-hexamethyl-5-oxaspiro[bicyclo[2.2.2]octane-2,2'-oxane]-6,7-dione
(3s,3ar,4as,5s,7as,8s,9ar)-4a-(hydroxymethyl)-3,8-dimethyl-2-oxo-decahydroazuleno[6,5-b]furan-5-yl acetate
2,10-dihydroxy-5,6,12-trimethyl-11-oxotricyclo[5.3.2.0¹,⁶]dodecan-8-yl acetate
(1r)-1,5,6,6-tetramethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
(1s,3r,3ar,7as)-1-ethenyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methylidene-2,3,3a,7a-tetrahydro-1h-inden-4-one
(3s,7r)-7-ethyl-5-methyl-5,12-diazatetracyclo[9.7.0.0³,⁸.0¹³,¹⁸]octadeca-1(11),13,15,17-tetraene-2,10-dione
(4br,5r,10ar)-7-methoxy-11,11-dimethyl-4bh,5h,10h,10ah-benzo[b]fluorene-5,9-diol
(12s)-5-isopropyl-8-methoxy-6,11,11-trimethyl-10-oxatetracyclo[7.5.1.0²,⁷.0¹²,¹⁵]pentadeca-1(15),2,4,6,8-pentaene
(1s,4s,4ar,7as,8s)-8-ethoxy-1,4-dihydroxy-6,6,8-trimethyl-1h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-3-one
6-hydroxy-6-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-methylheptyl acetate
(10r)-17-methoxy-18-oxatetracyclo[8.7.1.1²,¹⁵.1³,⁷]icosa-1,3(20),4,6,15(19),16-hexaen-4-ol
2-[(3r,4z)-7-(4-hydroxyphenyl)hepta-1,4-dien-3-yl]-4-methoxyphenol
(4s,4as,5r,6s,8ar,9as)-6-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-2-one
8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one
{5-hydroxy-3,8-dimethyl-2-oxo-decahydroazuleno[6,5-b]furan-4a-yl}methyl acetate
7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-5,6-dihydro-4h-phenalene-1,2-dione
12-hydroxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(3e,7z,11e)-3,7,11-trimethylbicyclo[12.2.2]octadeca-1(16),3,7,11,14(18)-pentaene-15,17-dione
(3e,5r,6e,8s,9e,13s,14r)-5,8,13-trihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(3r,4s,7r,10r)-4,10-dihydroxy-9,9-dimethyl-5-pentyl-2,8-dioxatricyclo[5.4.0.0¹,³]undec-5-ene-6-carbaldehyde
(1s,2s,4r,6r,7s,8r,10s)-1,7,10-trihydroxy-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate
4,10-dihydroxy-9,9-dimethyl-5-pentyl-2,8-dioxatricyclo[5.4.0.0¹,³]undec-5-ene-6-carbaldehyde
5-isopropyl-8-methoxy-6,11,11-trimethyl-10-oxatetracyclo[7.5.1.0²,⁷.0¹²,¹⁵]pentadeca-1(15),2,4,6,8-pentaene
6,6-dimethyl-5'-(3-oxohexyl)-dihydro-3h-spiro[furo[3,2-b]furan-2,2'-oxolan]-5-one
(5s)-1-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxydecan-3-one
7-methoxy-3-(2-methylbut-3-en-2-yl)-8-(3-methylbuta-1,3-dien-1-yl)chromen-2-one
15-ethyl-1,11-diazapentacyclo[9.7.1.0²,⁷.0⁸,¹⁹.0¹⁵,¹⁹]nonadeca-2,4,6-triene-10,18-dione
(2s)-2-(4-hydroxyphenyl)-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2h-1-benzopyran-7-ol
(4r,6r)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-5,6-dihydro-4h-phenalene-1,2-dione
4-hydroxy-3,5-bis(3-hydroxy-3-methylbutyl)benzoic acid
(1s,2r,5r,6r,7s,8r,10r,12r)-2,10-dihydroxy-5,6,12-trimethyl-11-oxotricyclo[5.3.2.0¹,⁶]dodecan-8-yl acetate
4-[(r)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](hydroxy)methyl]quinolin-6-ol
16-episarpagine
{"Ingredient_id": "HBIN001896","Ingredient_name": "16-episarpagine","Alias": "SCHEMBL3082055","Ingredient_formula": "C19H22N2O2","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO","Ingredient_weight": "310.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15270","TCMID_id": "7011","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9548891","DrugBank_id": "NA"}
1β-acetoxy-11,12-epoxy-6-drimen-8α,11α-diol
{"Ingredient_id": "HBIN002378","Ingredient_name": "1\u03b2-acetoxy-11,12-epoxy-6-drimen-8\u03b1,11\u03b1-diol","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CC(=O)OC1CCC(C2C1(C3C(OCC3(C=C2)O)O)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "182","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxy-phenol-2-methyl-butyrate
{"Ingredient_id": "HBIN003569","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxy-phenol-2-methyl-butyrate","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CCC(C)C(=O)OC1=C(C=C(C=C1)OC)C(C(C)O)OCC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate(ii)
{"Ingredient_id": "HBIN003570","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate(ii)","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CCC(C)C(=O)OC1=C(C=C(C=C1)OC)C(C(C)O)OCC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25752","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-7,4'-dihydroxy-3'-prenylflavan
{"Ingredient_id": "HBIN006784","Ingredient_name": "(2s)-7,4'-dihydroxy-3'-prenylflavan","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6101","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6(1,1-dimethylallyl)-7,4'-dihydroxylflavan
{"Ingredient_id": "HBIN012000","Ingredient_name": "6(1,1-dimethylallyl)-7,4'-dihydroxylflavan","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "CC(C)(C=C)C1=C(C=C2C(=C1)CCC(O2)C3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6303","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β,8β-dimethoxy-10β-hydroxyeremophil-7(11)-en-12,8α-olide
{"Ingredient_id": "HBIN012247","Ingredient_name": "6\u03b2,8\u03b2-dimethoxy-10\u03b2-hydroxyeremophil-7(11)-en-12,8\u03b1-olide","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CC1CCCC2(C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6237","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-methylcryptotanshinone[14,16-epoxy-6-methyl-5(10),6,8,13-abietatetraene-11,12-dione]
{"Ingredient_id": "HBIN012560","Ingredient_name": "6-methylcryptotanshinone[14,16-epoxy-6-methyl-5(10),6,8,13-abietatetraene-11,12-dione]","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14256","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4-hepten-3-one
{"Ingredient_id": "HBIN012937","Ingredient_name": "7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4-hepten-3-one","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "NA","Ingredient_weight": "310.392","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7512","PubChem_id": "NA","DrugBank_id": "NA"}
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-hept-4-en-3-one
{"Ingredient_id": "HBIN012938","Ingredient_name": "7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-hept-4-en-3-one","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC=CC=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10450","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
affinisine oxindole
{"Ingredient_id": "HBIN014775","Ingredient_name": "affinisine oxindole","Alias": "NA","Ingredient_formula": "C19H22N2O2","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC34C5=CC=CC=C5NC4=O)CO","Ingredient_weight": "310.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "670","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101727476","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-015
{"Ingredient_id": "HBIN016324","Ingredient_name": "anticancer flavonoid pmv70p691-015","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1399","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}