Exact Mass: 162.0865
Exact Mass Matches: 162.0865
Found 500 metabolites which its exact mass value is equals to given mass value 162.0865,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(E)-methyl ester 3-phenyl-2-propenoic acid
Flavouring compound [Flavornet] Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1].
5-Hydroxylysine
5-Hydroxylysine (Hyl), also known as hydroxylysine or 5-Hydroxy-L-lysine, belongs to the class of organic compounds known as L-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. 5-Hydroxylysine is a hydroxylated derivative of the amino acid lysine that is present in certain collagens, the chief structural protein of mammalian skin and connective tissue. 5-Hydroxylysine arises from a post-translational hydroxy modification of lysine and is biosynthesized from lysine via oxidation by lysyl hydroxylase enzymes. 5-Hydroxylysine can then undergo further modification by glycosylation, giving rise to galactosyl hydroxylysine (GH) and glucosylgalactosyl hydroxylysine (GGH). These glycosylated forms of hydroxylysine contribute to collagen’s unusual toughness and resiliency. The monoglycosylated, galactosyl-hydroxylysine is enriched in bone compared with the disaccharide form, glucosyl-galactosyl-hydroxylysine, which is the major form in skin. 5-Hydroxylysine exists in all eukaryotes, ranging from yeast to humans. It was first discovered in 1921 by Donald Van Slyke. Free forms of hydroxylysine arise through proteolytic degradation of collagen. Urinary excretion of 5-Hydroxylysine and its glycosides can be used as an index of collagen degradation, with high levels being indicative of more rapid or extensive collagen degradation (often seen in patients with thermal burns, Pagets disease of bone or hyperphosphatasia) (PMID: 404321). One of the natural protein-bound amino acids. Occurs free in plant tissues, e.g. Medicago sativa (alfalfa)
Safrole
Safrole, also known as shikimol, is a colorless or slightly yellow oily liquid. It is typically extracted from the root-bark or the fruit of sassafras plants in the form of sassafras oil, or synthesized from other related methylenedioxy compounds. It is the principal component of brown camphor oil, and is found in small amounts in a wide variety of plants, where it functions as a natural pesticide. Safrole is found in anise and nutmeg. Banned by FDA for use in food. Safrole is formerly used as a food flavour It is a precursor in the synthesis of the insecticide synergist piperonyl butoxide and the recreational drug MDMA ("Ecstacy"). Safrole is a natural plant constituent, found in oil of sassafras and certain other essential oils. It is a member of the methylenedioxybenzene group of compounds, many of which (e.g. piperonyl butoxide) are extensively used as insecticide synergists. Safrole is a major source of human exposure to safrole is through consumption of spices, such as nutmeg, cinnamon and black pepper, in which safrole is a constituent. Safrole is also present in root beer, and has been used as an additive in chewing gum, toothpaste, soaps and certain pharmaceutical preparations. Safrole is a weak hepatocarcinogen and it is a matter of considerable interest whether the ally1 moiety or the methylenedioxy group, or both, are involved in the mechanism of its carcinogenesis. Safrole is extensively metabolized, giving rise to a large number of metabolites. Metabolism involves essentially two major routes, oxidation of the ally1 side chain, and oxidation of the methylenedioxy group with subsequent cleavage to form the catechol. Safrole undergoes oxidation of the allylic group to yield the 2, 3-epoxide (safrole epoxide). The dihydrodiol is one of the metabolites of safrole, and presumably arises from the hydration of the 2, 3-epoxide. The principal route of metabolism of safrole is through cleavage of the methylenedioxy group, the major metabolites being allylcatechol and its isomer, propenylcatechol. Eugenol and its isomer I-methoxy- 2-hydroxy-4-allylbenzene have been detected as minor metabolites in rat, mouse and human (PMID:6719936). The Ocotea cymbarum oil made of the Ocotea pretiosa, a plant growing in Brazil, and sassafras oil made of Sassafras albidum, a tree growing in eastern North America, are the main natural sources for safrole. It has a characteristic "candy-shop" aroma Occurs in nutmeg. Banned by FDA for use in food. Formerly used as a food flavour
3-(4-Methoxyphenyl)-2-propenal
Isolated from oil of tarragon (Artemisia dracunculus) and other oils. Flavouring ingredient. 3-(4-Methoxyphenyl)-2-propenal is found in many foods, some of which are tarragon, star anise, potato, and sweet basil. 3-(4-Methoxyphenyl)-2-propenal is found in potato. 3-(4-Methoxyphenyl)-2-propenal is isolated from oil of tarragon (Artemisia dracunculus) and other oils. 3-(4-Methoxyphenyl)-2-propenal is a flavouring ingredien 4-Methoxycinnamaldehyde (p-Methoxycinnamaldehyde), an active constituent of Agastache rugosa, exhibits cytoprotective activity against respiratory syncytial virus (RSV) in human larynx carcinoma cell line. 4-Methoxycinnamaldehyde effectively inhibits cytopathic effect of RSV with an estimated IC50 of 0.055 μg/mL[1]. 4-Methoxycinnamaldehyde (p-Methoxycinnamaldehyde), an active constituent of Agastache rugosa, exhibits cytoprotective activity against respiratory syncytial virus (RSV) in human larynx carcinoma cell line. 4-Methoxycinnamaldehyde effectively inhibits cytopathic effect of RSV with an estimated IC50 of 0.055 μg/mL[1].
1,2-Dihydronaphthalene-1,2-diol
A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively.
2-Deoxystreptamine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents KEIO_ID D061
1,2-Dihydronaphthalene-1,2-diol
This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
(1S,2S)-1,2-dihydronaphthalene-1,2-diol
The (1S,2S)-isomer of trans-1,2-dihydronaphthalene-1,2-diol.
Methyl_cinnamate
Methyl cinnamate is a methyl ester resulting from the formal condensation of methyl cinnamic acid with methanol. It is found naturally in the essential oils of Alpinia and Basil leaf oil, and widely used in the flavor and perfume industries. It has a role as a flavouring agent, a fragrance, an insect attractant, a volatile oil component and an anti-inflammatory agent. It is a methyl ester and an alkyl cinnamate. Methyl cinnamate is a natural product found in Melaleuca viridiflora, Alpinia formosana, and other organisms with data available. Methyl cinnamate is a metabolite found in or produced by Saccharomyces cerevisiae. The E (trans) isomer of methyl cinnamate. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1].
Cassiastearoptene
Cassiastearoptene, also known as 2-methoxy cinnamaldehyde, is a member of the class of compounds known as cinnamaldehydes. Cinnamaldehydes are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. Cassiastearoptene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cassiastearoptene is a sweet, cassia, and cinnamon tasting compound found in ceylon cinnamon, chinese cinnamon, herbs and spices, and sweet basil, which makes cassiastearoptene a potential biomarker for the consumption of these food products. Cassiastearoptene is a member of cinnamaldehydes. 2-Methoxycinnamaldehyde is a natural product found in Illicium verum and Cinnamomum verum with data available. See also: Cinnamon (part of); Chinese Cinnamon (part of); Cinnamomum cassia twig (part of). Cassiastearoptene is found in ceylan cinnamon. Cassiastearoptene is a flavouring ingredient. It is isolated from oils of Cinnamomum cassia (Chinese cinnamon). 2-Methoxycinnamaldehyde (o-Methoxycinnamaldehyde) is a natural compound of Cinnamomum cassia, with antitumor activity[1][2][3]. 2-Methoxycinnamaldehyde inhibits proliferation and induces apoptosis by mitochondrial membrane potential (ΔΨm) loss, activation of both caspase-3 and caspase-9[2]. 2-Methoxycinnamaldehyde effectively inhibits platelet-derived growth factor (PDGF)-induced HASMC migration[3]. 2-Methoxycinnamaldehyde (o-Methoxycinnamaldehyde) is a natural compound of Cinnamomum cassia, with antitumor activity[1][2][3]. 2-Methoxycinnamaldehyde inhibits proliferation and induces apoptosis by mitochondrial membrane potential (ΔΨm) loss, activation of both caspase-3 and caspase-9[2]. 2-Methoxycinnamaldehyde effectively inhibits platelet-derived growth factor (PDGF)-induced HASMC migration[3].
1-Phenyl-1-pentanone
1-Phenyl-1-pentanone is found in green vegetables. 1-Phenyl-1-pentanone is found in celer Found in celery
Methyl cinnamate
Methyl cinnamate is found in ceylan cinnamon. Methyl cinnamate occurs in essential oils e.g. from Ocimum and Alpinia species Also present in various fruits, e.g. guava, feijoa, strawberry. Methyl cinnamate is a flavouring agent.Methyl cinnamate is the methyl ester of cinnamic acid and is a white or transparent solid with a strong, aromatic odor. It is found naturally in a variety of plants, including in fruits, like strawberry, and some culinary spices, such as Sichuan pepper and some varieties of basil. Eucalyptus olida has the highest known concentrations of methyl cinnamate (98\\\\\%) with a 2-6\\\\\% fresh weight yield in the leaf and twigs. Occurs in essential oils e.g. from Ocimum and Alpinia subspecies Also present in various fruits, e.g. guava, feijoa, strawberry. Flavouring agent Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1].
Norcotinine
Norcotinine is a metabolite of nicotine. It has been detected in smokers urine (about 1\\% of total nicotine and metabolites). Two pathways for its formation are possible, demethylation of cotinine or oxidative metabolism of nornicotine. Animal and human studies have demonstrated the existence of both of these pathways. [HMDB] Norcotinine is a metabolite of nicotine. It has been detected in smokers urine (about 1\\% of total nicotine and metabolites). Two pathways for its formation are possible, demethylation of cotinine or oxidative metabolism of nornicotine. Animal and human studies have demonstrated the existence of both of these pathways.
3-Mercapto-3-methyl-1-butyl acetate
3-Mercapto-3-methyl-1-butyl acetate is found in fruits. 3-Mercapto-3-methyl-1-butyl acetate is present in passion fruit volatiles. Present in passion fruit volatiles. 3-Mercapto-3-methyl-1-butyl acetate is found in fruits.
4,5-Dihydro-1-benzoxepin-3(2H)-one
Compound 4,5-Dihydro-1-benzoxepin-3(2H)-one and derivations are flavorants with watermelon like taste and odou Compd. and derivs. are flavorants with watermelon like taste and odour
(±)-2-Methyl-3-(4-methylphenyl)propanal
(±)-2-Methyl-3-(4-methylphenyl)propanal is a flavouring ingredient; commercial material FEMA 2748. Contains some ortho- and a trace of meta-isomer Flavouring ingredient; coml. material FEMA 2748contains some ortho- and a trace of meta-isomer
4'-Isopropylacetophenone
4-Isopropylacetophenone is a flavouring ingredien Flavouring ingredient
2-Methyl-4-phenylbutyraldehyde
(±)-2-Methyl-4-phenylbutanal is a flavouring ingredient. Flavouring ingredient
Dimethicone
Dimethicone, also known as ((CH3)3Si)2O or HMDSO, belongs to the class of organic compounds known as disiloxanes. These are organosilicon compounds with the general formula H[Si](R)(R)O[Si](H)(R)R (R= organyl, R-R= H or organyl). Dimethicone is found, on average, in the highest concentration within a few different foods, such as carobs, lettuces, and common salsifies. Dimethicone has also been detected, but not quantified, in several different foods, such as black walnuts, sweet bay, asparagus, ceylon cinnamons, and hyssops. This could make dimethicone a potential biomarker for the consumption of these foods. An organosiloxane consisting of two trimethylsilyl groups covalently bound to a central oxygen. It is used in foods as a defoaming agent. Dimethicone is found in many foods, some of which are american pokeweed, hyssop, tea, and sweet bay. D001697 - Biomedical and Dental Materials
3-Methyl-2-phenylbutanal
(±)-3-Methyl-2-phenylbutanal is a flavouring ingredient. It is used as a food additive .
4-(4-Methylphenyl)-2-butanone
4-(4-Methylphenyl)-2-butanone is a flavouring ingredien Flavouring ingredient
Ethyl 4-(methylthio)butyrate
Ethyl 4-(methylthio)butyrate is a flavouring agent. Flavouring agent
Ethyl 3-(methylthio)butanoate
Ethyl 3-(methylthio)butanoate is used in food flavouring of baked goods etc.
3,6-Dimethyl-2(3H)-benzofuranone
(±)-3,6-Dimethyl-2(3H)-benzofuranone is a flavouring agent for candies etc. It is used as a food additive
4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone
(±)-4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone is a flavouring ingredient for foods and chewing gum. It is used as a food additive
(±)-2-Methyl-3-(2-methylphenyl)propanal
(±)-2-Methyl-3-(2-methylphenyl)propanal is a component of *FEMA 2748* together with m- and p-isomers. (±)-2-Methyl-3-(2-methylphenyl)propanal is a flavouring ingredient for baked goods, confectionery and nonalcoholic beverages. Component of *FEMA 2748* together with m- and p-isomers. Flavouring ingredient for baked goods, confectionery and nonalcoholic beverages
Cinnamyl formate
Cinnamyl formate is a flavouring ingredient. Flavouring ingredient
Allyl benzoate
Allyl benzoate is used in food flavouring. It is used in food flavouring
4-Isopropylphenylacetaldehyde
4-Isopropylphenylacetaldehyde is used in perfumery and food flavouring. It is used in perfumery and food flavouring
2-(1-Ethoxyethoxy)propanoic acid
2-(1-Ethoxyethoxy)propanoic acid belongs to the family of Carboxylic Acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
N-Nitrosobis(2-hydroxypropyl)amine
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
1,3-Diacetylbenzene
1,3-diacetylbenzene is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1,3-diacetylbenzene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1,3-diacetylbenzene can be found in tea, which makes 1,3-diacetylbenzene a potential biomarker for the consumption of this food product.
1,4-Diacetylbenzene
1,4-diacetylbenzene is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1,4-diacetylbenzene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1,4-diacetylbenzene can be found in tea, which makes 1,4-diacetylbenzene a potential biomarker for the consumption of this food product.
2,4-Dimethylpropiophenone
2,4-dimethylpropiophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2,4-dimethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-dimethylpropiophenone can be found in tea, which makes 2,4-dimethylpropiophenone a potential biomarker for the consumption of this food product.
p-Ethylpropiophenone
P-ethylpropiophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. P-ethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-ethylpropiophenone can be found in tea, which makes P-ethylpropiophenone a potential biomarker for the consumption of this food product.
(+/-)-Ethyl 3-mercapto-2-methylbutanoate
It is used as a food additive .
Tox21_113911
5-hydroxy-1-tetralone can be used as a fluorescent labeling reagent for the determination of glycosphingolipid from biological samples[1].
(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
(R)-(E)-2-(2,4-Hexadiynylidene)tetrahydro-3-furanol
9-Hydroxy-undec-2t-en-4,6-diin|9-Undecene-5,7-diyn-3-ol|undec-9t-ene-5,7-diyn-3-ol
2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid
2,6-Dideoxy-3-C-methl-arabino-hdexose-D-Pyranose-form|2,6-Dideoxy-3-C-methyl-ribo-hexose-D-form|2,6-Dideoxy-3-C-methyl-xylo-hexose,9CI-L-form|Mycarose|Olivomycose.
undec-10-ene-6,8-diyn-5-ol|Undecaen-(1)-diin-(3,5)-ol-(7)
5-hydroxylysine
The lysine derivative that is 2,6-diamino-5-hydroxyhexanoic acid, a chiral alpha-amino acid. KEIO_ID H064
DL-5-Hydroxylysine
Acquisition and generation of the data is financially supported in part by CREST/JST.
Valerophenone
An aromatic ketone that consists of benzene substituted by a pentanoyl group. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 19
6-ETHYL-5-METHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE
Pyrimidine,5-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-
3-Pyridinecarbonitrile,1,2-dihydro-1,4,6-trimethyl-2-oxo-
1H-Benzimidazole-2-methanol,alpha-methyl-,(alphaS)-(9CI)
2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-3,3-dimethyl-
5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde
Phenidone
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents Phenidone, an orally active dual inhibitor of cyclooxygenase (COX) and lipoxygenase (LOX), ameliorates rat paralysis in experimental autoimmune encephalomyelitis. Phenidone is a potent hypotensive agent in the spontaneously hypertensive rat[1][2]. Phenidone is used as a photographic developer[3].
Pyrrolo[1,2-a]pyrazine, octahydro-, hydrochloride (1:1), (8aR)-
Pyrrolo[1,2-a]pyrazine, octahydro-, hydrochloride (1:1), (8aS)-
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine,hydrochloride
Poly(dimethylsiloxane-co-diphenylsiloxane), trimethylsilyl terminated
2H-Benzimidazol-2-one,1,3-dihydro-4,6-dimethyl-(9CI)
cis-5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride
3-PYRIDINECARBONITRILE, 1,2-DIHYDRO-6-(1-METHYLETHYL)-2-OXO-
1H-Isoindol-1-one,7-amino-2,3-dihydro-2-methyl-(9CI)
4-Hydroxy-l-lysine
A hydroxy-L-lysine that is L-lysine carrying a hydroxy substituent at position 4.
N,N-dihydroxy-L-isoleucinate
An N,N-dihydroxy-alpha-amino-acid anion resulting from removal of a proton from the carboxylic acid group of N,N-dihydroxy-L-isoleucine.
(2S,3R)-Butan-1,2,3,4-tetraol 2,4-isopropylidene acetal
N-Bis(2-hydroxypropyl)nitrosamine
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
p-Methoxycinnamaldehyde
4-Methoxycinnamaldehyde (p-Methoxycinnamaldehyde), an active constituent of Agastache rugosa, exhibits cytoprotective activity against respiratory syncytial virus (RSV) in human larynx carcinoma cell line. 4-Methoxycinnamaldehyde effectively inhibits cytopathic effect of RSV with an estimated IC50 of 0.055 μg/mL[1]. 4-Methoxycinnamaldehyde (p-Methoxycinnamaldehyde), an active constituent of Agastache rugosa, exhibits cytoprotective activity against respiratory syncytial virus (RSV) in human larynx carcinoma cell line. 4-Methoxycinnamaldehyde effectively inhibits cytopathic effect of RSV with an estimated IC50 of 0.055 μg/mL[1].
butyl 2-(methylsulfanyl)acetate
A carboxylic ester obtained by the formal condensation of the carboxy group of (methylthio)acetic acid with butan-1-ol.
(3S)-3-hydroxy-L-lysine
A L-lysine derivative that is L-lysine substituted at position 3 by a hydroxy group (the 3S-erythro-stereoisomer).
erythro-5-Hydroxy-L-lysine
A 5-hydroxylysine consisting of L-lysine having an (R)-hydroxy group at the 5-position.
(4R)-4-hydroxy-L-lysine
A 4-hydrox-L-lysine that is L-lysine substituted at position 4 by a hydroxy group (the 4R-threo-stereoisomer).
N(6)-hydroxy-L-lysine zwitterion
Zwitterionic form of N(6)-hydroxy-L-lysine having an anionic carboxy group and a cationic amino group; major species at pH 7.3.
6-hydroxymyosmine
A monohydroxypyridine that is myosmine substituted by a hydroxy group at position 6; major microspecies at pH 7.3. It is a metabolite of nornicotine produced by Shinella sp. strain HZN7.
1-(4-hydroxy phenyl)-2-buten-1-one
{"Ingredient_id": "HBIN001503","Ingredient_name": "1-(4-hydroxy phenyl)-2-buten-1-one","Alias": "NA","Ingredient_formula": "C10H10O2","Ingredient_Smile": "CC=CC(=O)C1=CC=C(C=C1)O","Ingredient_weight": "162.18 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9681","PubChem_id": "5371146","DrugBank_id": "NA"}
2,2-dimethylchroman
{"Ingredient_id": "HBIN003707","Ingredient_name": "2,2-dimethylchroman","Alias": "NA","Ingredient_formula": "C11H14O","Ingredient_Smile": "CC1(CCC2=CC=CC=C2O1)C","Ingredient_weight": "162.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40714","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "136936","DrugBank_id": "NA"}
2,3-dihydro-7-hydroxy-3-methyl-1H-inden-1-one
{"Ingredient_id": "HBIN004010","Ingredient_name": "2,3-dihydro-7-hydroxy-3-methyl-1H-inden-1-one","Alias": "NA","Ingredient_formula": "C10H10O2","Ingredient_Smile": "CC1CC(=O)C2=C1C=CC=C2O","Ingredient_weight": "162.19","OB_score": "62.00404175","CAS_id": "40513-50-6","SymMap_id": "SMIT12430","TCMID_id": "NA","TCMSP_id": "MOL011549","TCM_ID_id": "NA","PubChem_id": "590289","DrugBank_id": "NA"}
(4r)-4-hydroxy-α-tetralone
{"Ingredient_id": "HBIN010857","Ingredient_name": "(4r)-4-hydroxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C10H10O2","Ingredient_Smile": "C1CC(=O)C2=CC=CC=C2C1O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10745","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s)-4-hydroxy-α-tetralone
{"Ingredient_id": "HBIN010888","Ingredient_name": "(4s)-4-hydroxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C10H10O2","Ingredient_Smile": "C1CC(=O)C2=CC=CC=C2C1O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10746","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-2H-chromene
{"Ingredient_id": "HBIN013309","Ingredient_name": "7-methoxy-2H-chromene","Alias": "ghl.PD_Mitscher_leg0.899","Ingredient_formula": "C10H10O2","Ingredient_Smile": "COC1=CC2=C(C=CCO2)C=C1","Ingredient_weight": "162.19","OB_score": "16.43084883","CAS_id": "18385-89-2","SymMap_id": "SMIT07950","TCMID_id": "NA","TCMSP_id": "MOL006307","TCM_ID_id": "NA","PubChem_id": "5314753","DrugBank_id": "NA"}
