Exact Mass: 272.09276420000003
Exact Mass Matches: 272.09276420000003
Found 500 metabolites which its exact mass value is equals to given mass value 272.09276420000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Arbutin
Hydroquinone O-beta-D-glucopyranoside is a monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has a role as a plant metabolite and an Escherichia coli metabolite. It is a beta-D-glucoside and a monosaccharide derivative. It is functionally related to a hydroquinone. Extracted from the dried leaves of bearberry plant in the genus Arctostaphylos and other plants commonly in the Ericaceae family, arbutin is a beta-D-glucopyranoside of [DB09526]. It is found in foods, over-the-counter drugs, and herbal dietary supplements. Most commonly, it is an active ingredient in skincare and cosmetic products as a skin-lightening agent for the prevention of melanin formation in various skin conditions that involve cutaneous hyperpigmentation or hyperactive melanocyte function. It has also been used as an anti-infective for the urinary system as well as a diuretic. Arbutin is available in both natural and synthetic forms; it can be synthesized from acetobromglucose and [DB09526]. Arbutin is a competitive inhibitor of tyrosinase (E.C.1.14.18.1) in melanocytes, and the inhibition of melanin synthesis at non-toxic concentrations was observed in vitro. Arbutin was shown to be less cytotoxic to melanocytes in culture compared to [DB09526]. Arbutin is a natural product found in Grevillea robusta, Halocarpus biformis, and other organisms with data available. See also: Arctostaphylos uva-ursi leaf (part of); Arbutin; octinoxate (component of); Adenosine; arbutin (component of) ... View More ... Arbutin, also known as hydroquinone-O-beta-D-glucopyranoside or P-hydroxyphenyl beta-D-glucopyranoside, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Arbutin is soluble (in water) and a very weakly acidic compound (based on its pKa). Arbutin can be found in a number of food items such as guava, lingonberry, irish moss, and rowal, which makes arbutin a potential biomarker for the consumption of these food products. Arbutin is a glycoside; a glycosylated hydroquinone extracted from the bearberry plant in the genus Arctostaphylos among many other medicinal plants, primarily in the Ericaceae family. Applied topically, it inhibits tyrosinase and thus prevents the formation of melanin. Arbutin is therefore used as a skin-lightening agent. Very tiny amounts of arbutin are found in wheat, pear skins, and some other foods. It is also found in Bergenia crassifolia. Arbutin was also produced by an in vitro culture of Schisandra chinensis . A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. Arbutin is found in apple. Glucoside in pear leaves (Pyrus communis C471 - Enzyme Inhibitor CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6126; ORIGINAL_PRECURSOR_SCAN_NO 6123 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6107; ORIGINAL_PRECURSOR_SCAN_NO 6104 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 811; ORIGINAL_PRECURSOR_SCAN_NO 808 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 806; ORIGINAL_PRECURSOR_SCAN_NO 804 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 813; ORIGINAL_PRECURSOR_SCAN_NO 811 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 832; ORIGINAL_PRECURSOR_SCAN_NO 828 CONFIDENCE standard compound; INTERNAL_ID 1335; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 817; ORIGINAL_PRECURSOR_SCAN_NO 816 Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3]. Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3].
ARNEBIN-7
Deoxyshikonin is a hydroxy-1,4-naphthoquinone. Deoxyshikonin is a natural product found in Arnebia hispidissima, Alkanna cappadocica, and other organisms with data available. See also: Arnebia guttata root (part of); Arnebia euchroma root (part of); Lithospermum erythrorhizon root (part of). Deoxyshikonin is isolated from Arnebia euchroma with antitumor activity. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF, indicates a prolymphangiogenesis as well as a proangiogenesis effect in vitro[1]. Deoxyshikonin shows significant synergic antimicrobial activity against S. pneumonia (MIC=17 μg/mL), also shows significantly inhibitory activities against MRSA[2]. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF. Deoxyshikonin inhibited colorectal cancer (CRC) through the PI3K/Akt/mTOR pathway. Deoxyshikonin has proangiogenesis effect and antitumor activity. Deoxyshikonin is an antibacterial agent against methicillin-resistant S. aureus (MRSA) and S. pneumonia (MIC=17 μg/mL)[1][2][3]. Deoxyshikonin is isolated from Arnebia euchroma with antitumor activity. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF, indicates a prolymphangiogenesis as well as a proangiogenesis effect in vitro[1]. Deoxyshikonin shows significant synergic antimicrobial activity against S. pneumonia (MIC=17 μg/mL), also shows significantly inhibitory activities against MRSA[2].
3-HPT
(E)-4-(3,5-Dimethoxystyryl)benzene-1,2-diol is a natural product found in Sphaerophysa salsula with data available. 3'-Hydroxypterostilbene is a Pterostilbene (HY-N0828) analogue. 3'-Hydroxypterostilbene inhibits the growth of COLO 205, HCT-116 and HT-29 cells with IC50s of 9.0, 40.2 and 70.9 μM, respectively. 3'-Hydroxypterostilbene significantly down-regulates PI3K/Akt and MAPKs signaling pathways and effectively inhibits the growth of human colon cancer cells by inducing apoptosis and autophagy. 3'-Hydroxypterostilbene can be used for the research of cancer[1].
Eleutherin
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors [Raw Data] CBA06_Eleutherin_pos_20eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_40eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_50eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_10eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_30eV_000003.txt
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone is isolated from Populus balsamifera (balsam poplar) oi Isolated from Populus balsamifera (balsam poplar) oil.
Thienamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene
1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is found in fats and oils. 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is a constituent of the leaves of Ginkgo biloba (ginkgo). Constituent of the leaves of Ginkgo biloba (ginkgo). 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is found in fats and oils.
Alpha-Naphthoflavone
Alpha-naphthoflavone is an extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). It has a role as an EC 1.14.14.14 (aromatase) inhibitor, an aryl hydrocarbon receptor antagonist and an aryl hydrocarbon receptor agonist. It is an organic heterotricyclic compound, an extended flavonoid and a naphtho-gamma-pyrone. alpha-Naphthoflavone is a natural product found in Rhaponticum repens with data available. D004791 - Enzyme Inhibitors > D001571 - Benzoflavones Alpha-Naphthoflavone is a flavonoid, acts as a potent and competitive aromatase inhibitor with an IC50 and a Ki of 0.5 and 0.2 μM, respectively[1].
Isovestitol
Phytoalexin of Lablab niger (hyacinth bean). Isovestitol is found in hyacinth bean and pulses. Isovestitol is found in hyacinth bean. Phytoalexin of Lablab niger (hyacinth bean
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
3'-O-Methylequol
3-O-Methylequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Anigorufone
Anigorufone is found in fruits. Anigorufone is a pigment from Musa acuminata (dwarf banana). Pigment from Musa acuminata (dwarf banana). Anigorufone is found in fruits.
2,4,6-Trimethoxybenzophenone
2,4,6-Trimethoxybenzophenone is found in garden tomato. 2,4,6-Trimethoxybenzophenone is isolated from Cascara sagrada. Isolated from Cascara sagrada. 2,4,6-Trimethoxybenzophenone is found in garden tomato.
5C-aglycone
5C-aglycone is one of the two major aglycone urinary water-soluble metabolites of Phylloquinone (Vitamin K1) and menaquinones (vitamin K2), usually excreted as glucuronide conjugates; their structure suggests that they are formed by an oxidative degradation of the phytyl side chain involving enzymes of omega- and beta-oxidation. Newborn infants as a group, are known to have precariously low vitamin K stores and are routinely given vitamin K prophylaxis at birth. (PMIDs 7306367, 4833371, 15722567) [HMDB] 5C-aglycone is one of the two major aglycone urinary water-soluble metabolites of Phylloquinone (Vitamin K1) and menaquinones (vitamin K2), usually excreted as glucuronide conjugates; their structure suggests that they are formed by an oxidative degradation of the phytyl side chain involving enzymes of omega- and beta-oxidation. Newborn infants as a group, are known to have precariously low vitamin K stores and are routinely given vitamin K prophylaxis at birth. (PMIDs 7306367, 4833371, 15722567).
Marminal
Marminal is found in fruits. Marminal is a constituent of the roots of Aegle marmelos (bael) Constituent of the roots of Aegle marmelos (bael). Marminal is found in fruits.
4',7-Dihydroxy-3'-methoxyisoflavan
4,7-Dihydroxy-3-methoxyisoflavan is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4',7-Dihydroxy-6-methoxyisoflavan
4,7-Dihydroxy-6-methoxyisoflavan is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-O-Methylequol
6-O-Methylequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
beta-naphthoflavone
C1892 - Chemopreventive Agent > C54629 - Phase I Enzymes Inhibitor C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D004791 - Enzyme Inhibitors > D001571 - Benzoflavones
n-methyl-2-(4'-methylaminophenyl)-6-hydroxybenzothiazole
Thienamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Cannithrene 2
Cannithrene-2, is one of two isomers of cannithrene (the other being canninthrene-1). It belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivatives where at least one ring carbon-carbon double bond has been reduced via hydrogenation. Phenanthrenes are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzenes. Hydrophenanthrenes in Cannabis are structurally derived from stilbenoids, which have undergone an additional cyclazation reaction to yield the phenanthrene skeleton. Cannithrene 1 and 2 were the first two dihydrophenanthrenes isolated from Cannabis (PMID: 28799497). Cannithrene 2 is a hydrophobic, neutral compound that is insoluble in water. So far, no biological activity has been associated with cannithrene 2. Cannithrene 2 is one of the non-cannabinoid compounds that have been identified in cannabis plants (https://doi.org/10.1007/978-1-59259-947-9_2). Cannithrene 2 is a member of the class of compounds known as hydrophenanthrenes. Hydrophenanthrenes are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. Cannithrene 2 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cannithrene 2 can be found in black crowberry, which makes cannithrene 2 a potential biomarker for the consumption of this food product.
Loureirin C
Loureirin C is a member of dihydrochalcones. Loureirin C is a natural product found in Dracaena draco, Dracaena cinnabari, and other organisms with data available. Loureirin C has anti-bacterial, anti-spasmodic, anti-inflammatory, analgesic, anti-diabetic, and anti-tumor activities[1]. Loureirin C has anti-bacterial, anti-spasmodic, anti-inflammatory, analgesic, anti-diabetic, and anti-tumor activities[1].
Methyl 10-angeloyloxy-2Z,8Z-decadiene-4,6-dinynoate
2,4-dihydroxy-6-phenethyl-benzoic acid methyl ester
8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
1,7-Dihydroxy-2,5-dimethoxy-9,10-dihydrophenanthrene
4,7-Dihydroxy-2,6-dimethoxy-9,10-dihydrophenanthrene
Eulophiol
Eulophiol is a natural product found in Eulophia petersii and Pholidota chinensis with data available.
1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propanone
5,6-Dihydroxy-2,4-dimethoxy-9,10-dihydropenanthrene
2,7-Dihydroxy-1,5-dimethoxy-9,10-dihydrophenanthrene
vacor
CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2903; ORIGINAL_PRECURSOR_SCAN_NO 2901 D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2906; ORIGINAL_PRECURSOR_SCAN_NO 2903 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2879; ORIGINAL_PRECURSOR_SCAN_NO 2877 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2868; ORIGINAL_PRECURSOR_SCAN_NO 2865 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2904; ORIGINAL_PRECURSOR_SCAN_NO 2902 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2903; ORIGINAL_PRECURSOR_SCAN_NO 2900 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6117; ORIGINAL_PRECURSOR_SCAN_NO 6115 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6123; ORIGINAL_PRECURSOR_SCAN_NO 6122 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6137; ORIGINAL_PRECURSOR_SCAN_NO 6134 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6149; ORIGINAL_PRECURSOR_SCAN_NO 6147 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6171; ORIGINAL_PRECURSOR_SCAN_NO 6170 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6154; ORIGINAL_PRECURSOR_SCAN_NO 6152
α-Naphthoflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.407 D004791 - Enzyme Inhibitors > D001571 - Benzoflavones relative retention time with respect to 9-anthracene Carboxylic Acid is 1.410 Alpha-Naphthoflavone is a flavonoid, acts as a potent and competitive aromatase inhibitor with an IC50 and a Ki of 0.5 and 0.2 μM, respectively[1].
trans-(E)-10-acetyloxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro<4.5>dec-3-ene
(R)-3-((4-S,9-S,Z)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl)-5-methylfuran-2(5H)-one|trocheliophorolide C
3,4,5-Trimethyl-7-methoxy-8-hydroxynaphtho[2,3-b]furan-9(4H)-one
2-Hydroxy-4,6-dimethoxy-3-methyl-benzophenon|2-hydroxy-4,6-dimethoxy-3-methyl-benzophenone
2-(2-Hydroxyphenyl)acetic acid 4-hydroxyphenethyl ester
2-(4-acetoxymethylfuryl)-4-vinylanisole|2-<4-acetoxymethylfuryl>-4-vinylanisole
3,4-dihydro-3,9-dihydroxy-8-methoxy-3-methyl-1(2h)-anthracenone
phoyunbene C|trans-3,3-dihydroxy-2,5-dimethoxystilbene
2-(beta-D-glucopyranosyl)-1,3-dihydroxybenzene|C-beta-D-glucopyranosyl-2,6-dihydroxybenzene|C-??-D-Glucopyranosyl-2,6-dihydroxyl benzene
gamma-L-Glutamyl-L-erythro-2-amino-3-hydroxyhex-4-ynsaeure
gamma-L-Glutamyl-trans-alpha-L-(carboxycyclopropyl)-glycin
3,5-Dimethoxy-4-hydroxybenzoic acid 1-(hydroxymethyl)-2-hydroxyethyl ester
6,9-dihydroxy-5-methoxy-2-methyl-3,4-dihydroanthracen-1(2H)-one|menamesone B
(1S,5S,8S)-5-hydroxy-8-(4-hydroxyphenyl)-1-methylbicyclo[3.3.1]non-3-ene-2,9-dione|tazettone A
5aalpha,6,9,9abeta,10-pentahydro-10beta-hydroxy-7-methylanthra[1,2-d][1,3]dioxol-5-one
(+)-(alphaR)-alpha-methoxy-2?,4?-dihydroxydihydrochalcone
1alpha,3beta-dihydroxy-4alpha-(3?,4?-dihydroxyphenyl)-1,2,3,4-tetrahydronaphthalene|cyperotundol
11-methoxycarbonyl-guaia-1(10),5(6),7(11),8(9)-tetraene-6,12-olide
3,9-dihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one|aloespanol II
3-(1,1-dimethyl-allyl)-7-methoxy-2-oxo-2H-chromene-6-carbaldehyde|3-(1,1-Dimethylallyl)-6-formyl-7-methoxy-cumarin
(-)-elecanacin|(-)-elecanacinY(2R,3aR,4aR,10aR)-6-methoxy-2-methyl-1,2,4,4a-tetrahydro-10H-naphtho[2,3:2,3]cyclobuta[1,2-b]furan-5,10(3aH)-dione|elecanacin
4-Hydroxy-5-isopropyl-3-methoxy-7-methyl-2H-naphtho[1,8-bc]furan-2-one
4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene-1,2-diol
3-(3,4-dihydroxyphenyl)lactate glycerol 1-O-ester|ranunchinesin A
2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate
1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
2-(4-Hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-6-ol
2,7-dihydroxy-4,8-dimethoxy-9,10-dihydrophenanthrene
1-[4-(benzyloxy)-2-hydroxy-3-methoxyphenyl]ethan-1-one
Isoeleutherin
[Raw Data] CBA07_Isoeleutherin_pos_50eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_40eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_30eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_20eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_10eV_000004.txt Isoeleutherin is a naphthopyran derivative isolated from E. americana Merr. Et Heyne with anti-fungal, anti-viral, and anti-tumor activities. Isoeleutherin plays an important role in selective modulation of T helper cell-mediated immune responses[1].
9JHS2AVR43
(-)-vestitol is a methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4 and hydroxy groups at positions 7 and 2 respectively. It has a role as a plant metabolite. It is a member of hydroxyisoflavans and a methoxyisoflavan. It derives from a hydride of a (R)-isoflavan. (-)-Vestitol is a natural product found in Pterocarpus soyauxii, Dalbergia sissoo, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of). A methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4 and hydroxy groups at positions 7 and 2 respectively.
4-Hydroxyphenethylanisate
4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester is a methoxybenzoic acid. 2-(4-Hydroxyphenyl)ethyl 4-methoxybenzoate is a natural product found in Euphorbia micractina, Hansenia forbesii, and other organisms with data available.
72VUP07IT5
Alpha-Arbutin is a glycoside. alpha-Arbutin is a natural product found in Rhodiola chrysanthemifolia, Rhodiola sacra, and other organisms with data available. See also: ... View More ... α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1]. α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1].
Vestitol
The S-enantiomer of vestitol. Vestitol is a member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2 and a methoxy group at position 4. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent, a plant metabolite and a phytoalexin. It is an aromatic ether, a member of hydroxyisoflavans and a methoxyisoflavan. Vestitol is a natural product found in Lotus japonicus, Medicago rugosa, and other organisms with data available. A member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2 and a methoxy group at position 4. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity.
3,4,6-Tri-O-acetyl-D-galactal
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.781
1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
C16H16O4_2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)
C16H16O4_Benzoic acid, 2-hydroxy-4-methoxy-6-(2-phenylethyl)
2-o-methyl-5-methyluridine
5-Methyl-2′-O-methyl-uridine (2'-O-methyl-5-methyluridine) is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
Arbutin
Arbutin is a glycoside; a glycosylated hydroquinone extracted from the bearberry plant in the genus Arctostaphylos. It inhibits tyrosinase and thus prevents the formation of melanin. Arbutin is therefore used as a skin-lightening agent. Arbutin is found in wheat, and is concentrated in pear skins (Pyrus communis) . It has been found as biomarker for the consumption of pears. Annotation level-1 Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3]. Arbutin (β-Arbutin) is a competitive inhibitor of tyrosinase, with Kiapp values of 1.42 mM for monophenolase; 0.9 mM for diphenolase. Arbutin is also used as depigmenting agents[1]. Arbutin is a natural polyphenol isolated from the bearberry plant Arctostaphylos uvaursi, possesses with anti-oxidant, anti-inflammatory and anti-tumor properties[2][3].
2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based on: CCMSLIB00000845523]
2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based: Match]
β-Naphthoflavone
C1892 - Chemopreventive Agent > C54629 - Phase I Enzymes Inhibitor C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D004791 - Enzyme Inhibitors > D001571 - Benzoflavones CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10249; ORIGINAL_PRECURSOR_SCAN_NO 10247 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10266; ORIGINAL_PRECURSOR_SCAN_NO 10265 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10292; ORIGINAL_PRECURSOR_SCAN_NO 10291 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10225; ORIGINAL_PRECURSOR_SCAN_NO 10224 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10335; ORIGINAL_PRECURSOR_SCAN_NO 10334 CONFIDENCE standard compound; INTERNAL_ID 1179; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10310; ORIGINAL_PRECURSOR_SCAN_NO 10308
Alpha-Arbutin
α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1]. α-Arbutin (4-Hydroxyphenyl α-D-glucopyranoside) is emerging as popular and effective skin whiteners, acting as tyrosinase inhibitor[1].
N-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL-2-(ETHYLAMINO)ACETAMIDE HYDROCHLORIDE
C12H17ClN2O3 (272.09276420000003)
3-(4-(4-FLUOROBENZYLOXY)PHENYL)ACRYLIC ACID
C16H13FO3 (272.08486800000003)
Formaldehyde, dicyandiamide, ethylenediamine sulfate polymer
ETHYL 2-(((BENZYLOXY)CARBONYL)AMINO)ACETIMIDATE HYDROCHLORIDE
C12H17ClN2O3 (272.09276420000003)
ethyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate
4-(2-methyl-4-nitrophenoxy)piperidine,hydrochloride
C12H17ClN2O3 (272.09276420000003)
[2-[4-(Aminosulfonyl)phenyl]ethyl]carbamic Acid Ethyl Ester
1-(3,5-DICHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE
2-[[(5-Fluoro-2-hydroxyphenyl)phenylmethylene]amino]acetamide
3-methoxy-2-[(3-methoxyphenyl)methoxy]benzaldehyde
2-(4-(TERT-BUTOXYCARBONYL)PHENYL)-2,2-DIFLUOROACETIC ACID
ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)THIAZOLE-5-CARBOXYLATE
N-(3-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
(E)-TERT-BUTYL4-(1-AMINO-3-ETHOXY-3-OXOPROP-1-ENYL)PIPERIDINE-1-CARBOXYLATE
C16H17O2P (272.09661120000004)
ETHYL 4-METHYL-5-OXO-4,5-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE
ETHYL5-(TERT-BUTOXYCARBONYLAMINO)THIAZOLE-4-CARBOXYLATE
2,3,6,7-tetramethylnaphthalene-1,4-dicarboxylic acid
1H-Benz[g]indole-3-carboxaldehyde,2-(2-pyridinyl)-(9CI)
1H-Benz[g]indole-3-carboxaldehyde,2-(3-pyridinyl)-(9CI)
1H-Benz[g]indole-3-carboxaldehyde,2-(4-pyridinyl)-(9CI)
4-({[2-(dimethylamino)ethyl]amino}sulfonyl)benzoic acid
(s)-2-(2-naphthylmethyl)succinic acid-1-methyl ester
(S)-2-(1-NAPHTHYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
3-[(4-fluorophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione
C16H13FO3 (272.08486800000003)
3-(furan-2-ylmethyl)-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
7-(4-CHLOROPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
3-amino-n-[2-(2-hydroxyethyl)sulfonyl]ethyl benzamide
5-tert-Butoxycarbonylamino-thiazole-2-carboxylic acid ethyl ester
2,6-Anhydro-1-deoxy-L-arabino-hex-5-enitol 3,4,5-triacetate
4-Chlorobutyl 3,4-dimethoxybenzoate
C13H17ClO4 (272.08153120000003)
1-(4-CHLOROBUTYRYL)-2,4,6-TRIMETHOXYBENZENE
C13H17ClO4 (272.08153120000003)
3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid
(4-((NEOPENTYLOXY)SULFONYL)PHENYL)BORONIC ACID
C11H17BO5S (272.08897020000006)
1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine
Phoyunbene C
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 3 and methoxy groups at positions 2 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory activity on nitric oxide production.
N,N-dimethyl-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide
C12H12N6S (272.08441120000003)
1-[2-Hydroxy-4-(4-methoxy-benzyloxy)-phenyl]ethanone
2,3,4-Trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
3,5,5-Trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
N-[(3-fluorobenzoyl)oxy]-4-methylbenzenecarboximidamide
2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoic acid butyl ester
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-(2-methoxyethyl)thiourea
(E)-3-(4-fluorophenyl)-N-(6-methoxypyridin-3-yl)prop-2-enamide
2-(2-Phenylethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
(2S)-2-amino-3-[[5-(2-aminoethyl)-2,3-dihydroxyphenyl]thio]propanoic acid
1-(4-Hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)propan-1-one
(1R)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
3-Methoxycarbonylmethyl-1-(tetrahydrofuran-2-yl)-5-fluorouracil
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
5-Ethyluridine
5-Ethyluridine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
ADX88178
C12H12N6S (272.08441120000003)
ADX88178 is a potent metabotropic glutamate receptor 4 positive allosteric modulator (mGluR4 PAM) with an EC50 of 4 nM for human mGluR4.
7-methoxy-14-methyl-13-oxatetracyclo[8.5.0.0¹,¹².0³,⁸]pentadeca-3(8),4,6-triene-2,9-dione
(4as)-5,8-dihydroxy-1,4a-dimethyl-4,10-dihydro-3h-anthracene-2,9-dione
(2e,5r,8s)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate
(3r,4r)-4-ethenyl-3-[(2z)-3-hydroxy-3-phenylprop-2-enoyl]-4-methyloxolan-2-one
(2z,5r,8s)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate
(4s)-4-hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
4-ethenyl-3-(3-hydroxy-3-phenylprop-2-enoyl)-4-methyloxolan-2-one
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenol
methyl (2e,8e)-10-{[(2e)-2-methylbut-2-enoyl]oxy}deca-2,8-dien-4,6-diynoate
(2e)-1-(2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-3-phenylprop-2-en-1-one
(5s,7r)-9-methoxy-3,5-dimethyl-8-oxo-5h,6h,7h-naphtho[2,3-b]furan-7-carbaldehyde
4-[2-(7-methoxy-2h-1,3-benzodioxol-5-yl)ethyl]phenol
(2s)-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-5,7-diol
2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-3-hydroxyhex-4-ynoic acid
4-ethenyl-6,9-dihydroxy-4-methyl-3-methylidene-2h,3ah,9bh-naphtho[1,2-b]furan-5-one
8-hydroxy-7-methoxy-3,4,5-trimethyl-4h-naphtho[2,3-b]furan-9-one
2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-dimethoxyphenol
2',7-dihydroxy-4'-methoxyisoflavan; (±)-form
{"Ingredient_id": "HBIN005019","Ingredient_name": "2',7-dihydroxy-4'-methoxyisoflavan; (±)-form","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "52305-03-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8806","PubChem_id": "NA","DrugBank_id": "NA"}
2, 7-dihyoxy-3, 4-dimethoxy-9, 10- dihydrophenanthrene
{"Ingredient_id": "HBIN005022","Ingredient_name": "2, 7-dihyoxy-3, 4-dimethoxy-9, 10- dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41951","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s),3',4'-dihydroxy-7-methoxy flavan
{"Ingredient_id": "HBIN006615","Ingredient_name": "(2s),3',4'-dihydroxy-7-methoxy flavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=CC2=C(CCC(O2)C3=CC(=C(C=C3)O)O)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5977","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-4',7-dihydroxy-3'-methoxyflavan
{"Ingredient_id": "HBIN006736","Ingredient_name": "(2s)-4',7-dihydroxy-3'-methoxyflavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5978","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S)- 7,3＇- dihydroxy- 4＇- methoxyflavan
{"Ingredient_id": "HBIN006783","Ingredient_name": "(2S)- 7,3\uff07- dihydroxy- 4\uff07- methoxyflavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42861","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3S)-isovestitol
{"Ingredient_id": "HBIN009723","Ingredient_name": "(3S)-isovestitol","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2","Ingredient_weight": "272.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35700","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44446907","DrugBank_id": "NA"}
4'-hydroxy-7-methoxyflavan-3-ol
{"Ingredient_id": "HBIN010498","Ingredient_name": "4'-hydroxy-7-methoxyflavan-3-ol","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=CC2=C(CC(C(O2)C3=CC=C(C=C3)O)O)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10403","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6''-hydroxyechinofuran b
{"Ingredient_id": "HBIN012431","Ingredient_name": "6''-hydroxyechinofuran b","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7544","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
{"Ingredient_id": "HBIN013602","Ingredient_name": "8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7384","PubChem_id": "NA","DrugBank_id": "NA"}