Exact Mass: 478.1416312
Exact Mass Matches: 478.1416312
Found 500 metabolites which its exact mass value is equals to given mass value 478.1416312,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aureomykoin
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
Metacycline hydrochloride
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
Isorhamnetin 3-galactoside
Isorhamnetin 3-galactoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Isorhamnetin 3-galactoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-galactoside can be synthesized from beta-D-galactose. Isorhamnetin 3-galactoside can also be synthesized into isorhamnetin. Isorhamnetin 3-galactoside can be found in a number of food items such as caraway, common bean, almond, and green bean, which makes isorhamnetin 3-galactoside a potential biomarker for the consumption of these food products. Isorhamnetin 3-O-beta-D-galactopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue. It has a role as a metabolite. It is a beta-D-galactoside, a monosaccharide derivative, a glycosyloxyflavone, a monomethoxyflavone and a trihydroxyflavone. It is functionally related to an isorhamnetin and a beta-D-galactose. Cacticin is a natural product found in Lysimachia patungensis, Artemisia igniaria, and other organisms with data available. A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue.
Nepitrin
Nepitrin is a member of flavonoids and a glycoside. Nepitrin is a natural product found in Centaurea bracteata, Arnica longifolia, and other organisms with data available. Nepitrin is found in herbs and spices. Nepitrin is a constituent of rosemary (Rosmarinus officinalis) Constituent of rosemary (Rosmarinus officinalis). Nepitrin is found in herbs and spices and rosemary. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2]. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].
Kelampayoside A
3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside is a glycoside. It has a role as a metabolite. Kelampayoside A is a natural product found in Strychnos axillaris, Cinnamomum iners, and other organisms with data available. Kelampayoside A is found in chinese cinnamon. Kelampayoside A is isolated from Cinnamomum cassia (Chinese cinnamon). A natural product found in Acer saccharum.
Alliumoside A
Present in onions. Isorhamnetin 4-glucoside is found in allium (onion), onion-family vegetables, and garden onion (variety). Isorhamnetin 4-glucoside is found in allium (onion). Isorhamnetin 4-glucoside is present in onion
2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside
2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is found in green vegetables. 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is isolated from Rheum species. Isolated from Rheum subspecies 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is found in green vegetables.
Pedaliin
Pedaliin is found in fats and oils. Pedaliin is from leaves of Sesamum indicum (sesame
Isorhamnetin 7-glucoside
Isolated from various plants inc. Brassica napus (oilseed rape). Isorhamnetin 7-glucoside is found in sea-buckthornberry, german camomile, and brassicas. Isorhamnetin 7-glucoside is found in brassicas. Isorhamnetin 7-glucoside is isolated from various plants including Brassica napus (oilseed rape Brassicin, a natural Flavonoid, possesses radical scavenging activity[1]. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1].
Lindleyin
C23H26O11 (478.14750460000005)
Isolated from rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[6-galloylglucoside] is found in green vegetables and garden rhubarb. Lindleyin is found in garden rhubarb. Lindleyin is isolated from rhubar
Estragonoside
Estragonoside is found in herbs and spices. Estragonoside is a constituent of Artemisia dracunculus (tarragon). Constituent of Artemisia dracunculus (tarragon). Estragonoside is found in herbs and spices.
Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside]
C23H26O11 (478.14750460000005)
Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] is found in herbs and spices. Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] is a constituent of the leaves of clove Syzygium aromaticum. Constituent of the leaves of clove Syzygium aromaticum. Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] is found in herbs and spices.
Persicogenin 3'-glucoside
C23H26O11 (478.14750460000005)
Persicogenin 3-glucoside is found in almond. Persicogenin 3-glucoside is isolated from the stem bark of Prunus amygdalus (almond). Isolated from the stem bark of Prunus amygdalus (almond). Persicogenin 3-glucoside is found in nuts and almond.
Persiconin
C23H26O11 (478.14750460000005)
Isolated from Persica vulgaris (peach) and Prunus species Persicogenin 5-glucoside is found in fruits and peach. Persiconin is found in fruits. Persiconin is isolated from Persica vulgaris (peach) and Prunus sp.
Pollenin B
Pollenin B is found in tea. Pollenin B is isolated from the pollen of Camellia sinensis (tea). Isolated from the pollen of Camellia sinensis (tea). Pollenin B is found in tea.
1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside
1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is found in fruits. 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is isolated from Diospyros discolor (mabolo). Isolated from Diospyros discolor (mabolo). 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is found in fruits.
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate is found in beverages. Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate is a constituent of saffron (Crocus sativus)
Isolindleyin
C23H26O11 (478.14750460000005)
Isolated from commercial rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloylglucoside] is found in green vegetables and garden rhubarb. Isolindleyin is found in garden rhubarb. Isolindleyin is isolated from commercial rhubarb.
Eupafolin 4'-glucoside
Eupafolin 4-glucoside is found in herbs and spices. Eupafolin 4-glucoside is a constituent of rosemary (Rosmarinus officinalis). Constituent of rosemary (Rosmarinus officinalis). Eupafolin 4-glucoside is found in herbs and spices.
Azaleatin 3-glucoside
Azaleatin 3-glucoside is found in nuts. Azaleatin 3-glucoside is isolated from apples and pecan nuts. Isolated from pecan nuts Carya pecan and apples. Azaleatin 3-galactoside is found in pomes and nuts.
8-Hydroxyluteolin 4'-methyl ether 8-glucoside
8-Hydroxyluteolin 4-methyl ether 8-glucoside is found in herbs and spices. 8-Hydroxyluteolin 4-methyl ether 8-glucoside is isolated from Althaea officinalis (marsh mallow). Isolated from Althaea officinalis (marsh mallow). 8-Hydroxyhesperetin 8-glucoside is found in tea, herbs and spices, and root vegetables.
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide
C23H26O11 (478.14750460000005)
4-O-methyl-(-)-epicatechin-5-O-beta-glucuronide is a cocoa metabolite from gut microflora. It is found n urine.
6-Methoxyluteolin 3'-glucoside
6-Methoxyluteolin 3-glucoside is found in herbs and spices. 6-Methoxyluteolin 3-glucoside is a constituent of rosemary Rosmarinus officinalis. Constituent of rosemary Rosmarinus officinalis. 6-Methoxyluteolin 3-glucoside is found in herbs and spices.
Hesperetin 3'-O-glucuronide
Hesperetin 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Hesperetin 7-O-glucuronide
Hesperetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Hesperetin 5-glucuronide
(R)-Pazinaclone
C25H23ClN4O4 (478.14077480000003)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
AUREOMYCIN
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
Chembl456066
Deshydroxyethoxy Ticagrelor
C21H24F2N6O3S (478.15985780000005)
Lappaphen A
C27H26O4S2 (478.12724360000004)
Lappaphen b belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Lappaphen b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaphen b can be found in burdock, which makes lappaphen b a potential biomarker for the consumption of this food product.
Isorhamnetin 3-beta-D-glucoside
Isorhamnetin 3-beta-d-glucoside, also known as isorhamnetin-3-glu, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Isorhamnetin 3-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-beta-d-glucoside can be synthesized from beta-D-glucose. Isorhamnetin 3-beta-d-glucoside can also be synthesized into isorhamnetin. Isorhamnetin 3-beta-d-glucoside can be found in sea-buckthornberry, which makes isorhamnetin 3-beta-d-glucoside a potential biomarker for the consumption of this food product. Isorhamnetin 3-beta-d-glucoside may be a unique S.cerevisiae (yeast) metabolite. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
3,4-Dihydroxyphenylethanol-4-diglucoside
3,4-dihydroxyphenylethanol-4-diglucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,4-dihydroxyphenylethanol-4-diglucoside can be found in olive, which makes 3,4-dihydroxyphenylethanol-4-diglucoside a potential biomarker for the consumption of this food product.
3-Glucosylisorhamnetin
Isorhamnetin 3-O-beta-D-glucopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a monosaccharide derivative, a glycosyloxyflavone, a monomethoxyflavone, a trihydroxyflavone and a beta-D-glucoside. It is functionally related to an isorhamnetin and a beta-D-glucose. isorhamnetin-3-O-glucoside is a natural product found in Astragalus varius, Phoenix canariensis, and other organisms with data available. Isorhamnetin 3-O-glucoside is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Ginkgo (part of). A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
Nuomioside A
C23H26O11 (478.14750460000005)
Calceolarioside B is a hydroxycinnamic acid. It has a role as a metabolite. Calceolarioside B is a natural product found in Plantago coronopus, Cassinopsis madagascariensis, and other organisms with data available. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1]. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1].
Lindleyin
C23H26O11 (478.14750460000005)
Isolindleyin is a glycoside. CID 10390322 is a natural product found in Rheum palmatum with data available. Lindleyin is a glycoside. Lindleyin is a natural product found in Rheum officinale, Rheum palmatum, and Rheum with data available.
Methyl paederosidate
C19H26O12S (478.11449160000006)
Paederosidic acid methyl ester is a natural product found in Paederia scandens and Paederia foetida with data available. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1]. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1].
Calceolarioside
C23H26O11 (478.14750460000005)
Calceolarioside A is a hydroxycinnamic acid. Calceolarioside A is a natural product found in Plantago coronopus, Cassinopsis madagascariensis, and other organisms with data available. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1]. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1].
Mearnsitrin
Okanin 3,4-dimethyl ehter 4-glucoside
C23H26O11 (478.14750460000005)
5,2,4,5-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
Quercetin 3-methyl ether 5-glucoside
Eriodictyol 5,4-dimethyl ether 7-O-glucoside
C23H26O11 (478.14750460000005)
Tamarixetin 3-galactoside
3,4-Dihydro-3-methoxypaederoside
C19H26O12S (478.11449160000006)
Rocagloic acid
Rocagloic Acid is a natural product found in Aglaia rimosa, Aglaia rubiginosa, and other organisms with data available.
6-Hydroxykaempferol 4-methyl ether 7-glucoside
Isorhamnetin 5-galactoside
Phloretin 2-O-(6-O-acetylglucoside)
C23H26O11 (478.14750460000005)
Aromadendrin 7,4-dimethyl ether 5-glucoside
C23H26O11 (478.14750460000005)
Paederosidic acid methyl ester
C19H26O12S (478.11449160000006)
Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1]. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1].
Eriodictyol 3,4-dimethyl ether 5-O-glucoside
C23H26O11 (478.14750460000005)
5,6,7,4-Tetrahydroxy-8-methoxyisoflavone 7-O-glucoside
2,4,4-Trihydroxy-3,3-dimethoxychalcone 4-O-glucoside
C23H26O11 (478.14750460000005)
8-C-Rhamnosyleuropetin
7,3,4-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
C23H26O11 (478.14750460000005)
Trilobatin 2-acetate
C23H26O11 (478.14750460000005)
Rhamnetin 3-glucoside
Tamarixin
Isorhamnetin 3-galactoside
Isorhamnetin 3-glucoside
Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
Nepitrin
Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2]. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].
Nepetin 4-glucoside
Persicogenin 3-glucoside
C23H26O11 (478.14750460000005)
6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
Feruloylguaiacyl hexoside
C23H26O11 (478.14750460000005)
Annotation level-3
2-O-beta-D-glycopyranosyl-1,2,4,8-tetrahydroxy-6-methoxy-3-methylanthraquinone
5-hydroxy-6,7-dimethoxy-4-glucopyranoside flavone|5-hydroxy-6,7-dimethoxyflavone 4-O-D-glucose|flavone cirsitakaoside
C23H26O11 (478.14750460000005)
(S)-(-)-5,7,3,5-tetrahydroxyflavanone 7-O-(methyl beta-D-glucopyranosiduronate)|garccowaside C
ophioglonol 4-O-beta-D-glucopyranoside
A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum.
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
(4-hydroxy-3-methoxyphenyl)methanol-1-O-beta-D-gentobioside
scroside D
A disaccharide derivative that consists of hydroxytyrosol in which the alcoholic hydroxy group is glycosylated with a 3-O-beta-D-glucopyranosyl-D-glucopyranosyl residue. Isolated from Picrorhiza scrophulariiflora, it exhibits antioxidant activity.
1-(3,4-dihydroxy-phenyl)-4beta,5alpha,7,8-tetrahydroxy-benzo[10.11]-1-cycloheptene-4-O-beta-D-pyranosylglucoside|crassifoside D
C23H26O11 (478.14750460000005)
5,7-Dimethoxy-taxifolin-3-O-alpha-L-rhamnopyranosid
C23H26O11 (478.14750460000005)
4-O-(6-O-galloyl-beta-D-glucopyranosyl)-cis-p-coumaric acid|4-O-(6-O-Galloyl-??-D-glucopyranosyl)-cis-p-coumaric acid
(2E,4E)-5-[(3S)-5-acetyl-8-(beta-D-glucopyranosyloxy)-3,4-dihydro-6-methoxy-1-oxo-1H-2-benzopyran-3-yl]penta-2,4-dienal|(3S,11E,13E)-5-acetyl-8-(beta-D-glucopyranosyloxy)-6-methoxy-3-(oxopentadienyl)isochroman-1-one
C23H26O11 (478.14750460000005)
Myrciacitrin I
C23H26O11 (478.14750460000005)
A flavanone glycoside that is (2S)-flavanone substituted by methyl groups at positions 6 and 8, hydroxy groups at positions 5, 2 and 5 and a beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against alpha-glucosidase and aldose reductase.
4-hydroxy-3-methoxybenzyl alcohol 4-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside|adenophoraside E
Aloesaponol I-6-O-beta-D-glucopyranosid
C23H26O11 (478.14750460000005)
(1S,4aS,7aS)-7-[(benzoyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid|hedycoryside C
C23H26O11 (478.14750460000005)
5,7-dihydroxy-2,4-dimethoxy-isoflavanone 7-O-beta-glucopyranoside
C23H26O11 (478.14750460000005)
ophioglonol 7-O-beta-D-glucopyranoside|pedunculosumoside G
5,7,3,4-tetrahydroxy-6-methoxy-8-C-beta-D-glucopyranosyl flavonoside
1,2-dihydroxy-4,6-dimethoxybenzene 1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|2-hydroxy-4,6-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
eriodictyol-3,7-dimethoxy-4-O-beta-D-glucoside
C23H26O11 (478.14750460000005)
quercetin 3-O-beta-D-glucuronopyranosylmethyl ester
4-[5-formyl-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl beta-D-glucopyranoside
C23H26O11 (478.14750460000005)
(1S)-1,5-anhydro-1-C-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol|flemiphilippininside
(3-[3-hydroxy-5-methoxyphenyl]-5-methoxy-7-oxo-3,7-dihydro-2H-[1,4]dioxino[2,3-c]xanthen-2-yl)methyl acetate|hypericorin A
11-O-beta-D-glucopyranosyloxy-5-methoxy-6-oxabenzochrysen-1-one|haemodoroxychrysenose
2,4,6-trimethoxyphenol 1-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside|2,4,6-Trimethoxyphenyl 1-O-??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
10-O-benzoylgeniposidic acid|rel-(1R,4aR,7aR)-7-[(benzoyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid|scyphiphorin A
C23H26O11 (478.14750460000005)
7-Me ether-3,3,4,5,5,7-Hexahydroxy-8-rhamnopyranosylflavone
4-hydroxymethyl-2,6-dimethoxyphenyl 1-O-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside|potalioside B
1-(4-hydroxyphenyl)ethane-1,2-diol-1,2-bis-O-beta-D-glucopyranoside
beta-D-glucopyranosyl-(6->1)-beta-D-rhamnosyl 3,4,5-trihydroxybenzoate
Eriodictyl 7-O-??-D-(6-methyl ester)-glucuronopyranoside
1-O-[(E)-p-coumaroyl]-3-O-galloyl-beta-D-glucopyranose|beta-D-glucopyranose 1-[(2E)-3-(4-hydroxyphenyl)prop-2-enoate] 3-(3,4,5-trihydroxybenzoate)
3-hydroxytectoridin|4H-1-benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-(beta-D-glucopyranosyloxy)-|Ordoritin-glucoside
(1S,4aS,5R,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-1-{{6-O-[2-hydroxy-1-(hydroxymethyl)ethyl]-beta-D-glucoyranosyl}oxy}-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid methyl ester|6-O-(2-glyceryl)scandoside methyl ester
2,5-Bis-(beta-D-glucopyranosyloxy)-benzoesaeure|Gentisat-2,5-di-beta-D-glucosid
3,3-Di-Me ether-2,2,3,3,7,7-Hexahydroxy-1,1-biphenanthrene|3,3-dimethoxy-2,2,7,7-tetrahydroxy-1,1-biphenanthrene
Asp Glu Thr Asp
C17H26N4O12 (478.15471560000003)
Brassicin
Isorhamnetin 7-O-beta-D-glucopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a beta-D-glucoside, a glycosyloxyflavone, a monomethoxyflavone, a monosaccharide derivative and a trihydroxyflavone. It is functionally related to a beta-D-glucose and an isorhamnetin. Isorhamnetin 7-glucoside is a natural product found in Salix caprea, Sedum acre, and other organisms with data available. A glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1]. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1].
Pedaliin
Pedaliin is a member of flavonoids and a glycoside. Pedaliin is a natural product found in Pterogyne nitens, Dracocephalum tanguticum, and Sesamum indicum with data available.
Chlortetracycline
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3680
Isorhamnetin-3-O-glucoside
Isorhamnetin 3-o-b-d-glucopyranoside, also known as isorhamnetin-3-O-galactoside, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Thus, isorhamnetin 3-o-b-d-glucopyranoside is considered to be a flavonoid lipid molecule. Isorhamnetin 3-o-b-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-o-b-d-glucopyranoside can be found in a number of food items such as common grape, caraway, ginkgo nuts, and grape wine, which makes isorhamnetin 3-o-b-d-glucopyranoside a potential biomarker for the consumption of these food products. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
isorhamnetin 3-O-glucoside
Acquisition and generation of the data is financially supported in part by CREST/JST. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
C23H26O11 (478.14750460000005)
[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Isorhamnetin 3-O-galactoside
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one [IIN-based: Match]
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one [IIN-based: Match]
[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]
C23H26O11 (478.14750460000005)
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_major
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_major
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_4.3\\%
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_major
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_26.4\\%
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_54.5\\%
Cys Asp Asn Gln
Cys Asp Gln Asn
Cys Glu Met Pro
Cys Glu Asn Asn
Cys Glu Pro Met
Cys Gly His Tyr
C20H26N6O6S (478.16344560000005)
Cys Gly Asn Trp
C20H26N6O6S (478.16344560000005)
Cys Gly Trp Asn
C20H26N6O6S (478.16344560000005)
Cys Gly Tyr His
C20H26N6O6S (478.16344560000005)
Cys His Gly Tyr
C20H26N6O6S (478.16344560000005)
Cys His Tyr Gly
C20H26N6O6S (478.16344560000005)
Cys Met Glu Pro
Cys Met Pro Glu
Cys Asn Asp Gln
Cys Asn Glu Asn
Cys Asn Gly Trp
C20H26N6O6S (478.16344560000005)
Cys Asn Asn Glu
Cys Asn Gln Asp
Cys Asn Trp Gly
C20H26N6O6S (478.16344560000005)
Cys Pro Glu Met
Cys Pro Met Glu
Cys Gln Asp Asn
Cys Gln Asn Asp
Cys Trp Gly Asn
C20H26N6O6S (478.16344560000005)
Cys Trp Asn Gly
C20H26N6O6S (478.16344560000005)
Cys Tyr Gly His
C20H26N6O6S (478.16344560000005)
Cys Tyr His Gly
C20H26N6O6S (478.16344560000005)
Asp Cys Asn Gln
Asp Cys Gln Asn
Asp Asp Asp Asp
Asp Asp Glu Thr
C17H26N4O12 (478.15471560000003)
Asp Asp Thr Glu
C17H26N4O12 (478.15471560000003)
Asp Glu Asp Thr
C17H26N4O12 (478.15471560000003)
Asp Glu Glu Ser
C17H26N4O12 (478.15471560000003)
Asp Glu Ser Glu
C17H26N4O12 (478.15471560000003)
Asp Asn Cys Gln
Asp Asn Gln Cys
Asp Gln Cys Asn
Asp Gln Asn Cys
Asp Ser Glu Glu
C17H26N4O12 (478.15471560000003)
Asp Thr Asp Glu
C17H26N4O12 (478.15471560000003)
Asp Thr Glu Asp
C17H26N4O12 (478.15471560000003)
Glu Cys Met Pro
Glu Cys Asn Asn
Glu Cys Pro Met
Glu Asp Asp Thr
C17H26N4O12 (478.15471560000003)
Glu Asp Glu Ser
C17H26N4O12 (478.15471560000003)
Glu Asp Ser Glu
C17H26N4O12 (478.15471560000003)
Glu Asp Thr Asp
C17H26N4O12 (478.15471560000003)
Glu Glu Asp Ser
C17H26N4O12 (478.15471560000003)
Glu Glu Ser Asp
C17H26N4O12 (478.15471560000003)
Glu Met Cys Pro
Glu Met Pro Cys
Glu Asn Cys Asn
Glu Asn Asn Cys
Glu Pro Cys Met
Glu Pro Met Cys
Glu Ser Asp Glu
C17H26N4O12 (478.15471560000003)
Glu Ser Glu Asp
C17H26N4O12 (478.15471560000003)
Glu Thr Asp Asp
C17H26N4O12 (478.15471560000003)
Gly Cys His Tyr
C20H26N6O6S (478.16344560000005)
Gly Cys Asn Trp
C20H26N6O6S (478.16344560000005)
Gly Cys Trp Asn
C20H26N6O6S (478.16344560000005)
Gly Cys Tyr His
C20H26N6O6S (478.16344560000005)
Gly His Cys Tyr
C20H26N6O6S (478.16344560000005)
Gly His Tyr Cys
C20H26N6O6S (478.16344560000005)
Gly Asn Cys Trp
C20H26N6O6S (478.16344560000005)
Gly Asn Trp Cys
C20H26N6O6S (478.16344560000005)
Gly Trp Cys Asn
C20H26N6O6S (478.16344560000005)
Gly Trp Asn Cys
C20H26N6O6S (478.16344560000005)
Gly Tyr Cys His
C20H26N6O6S (478.16344560000005)
Gly Tyr His Cys
C20H26N6O6S (478.16344560000005)
His Cys Gly Tyr
C20H26N6O6S (478.16344560000005)
His Cys Tyr Gly
C20H26N6O6S (478.16344560000005)
His Gly Cys Tyr
C20H26N6O6S (478.16344560000005)
His Gly Tyr Cys
C20H26N6O6S (478.16344560000005)
His Tyr Cys Gly
C20H26N6O6S (478.16344560000005)
His Tyr Gly Cys
C20H26N6O6S (478.16344560000005)
Met Cys Glu Pro
Met Cys Pro Glu
Met Glu Cys Pro
Met Glu Pro Cys
Met Pro Cys Glu
Met Pro Glu Cys
Asn Cys Asp Gln
Asn Cys Glu Asn
Asn Cys Gly Trp
C20H26N6O6S (478.16344560000005)
Asn Cys Asn Glu
Asn Cys Gln Asp
Asn Cys Trp Gly
C20H26N6O6S (478.16344560000005)
Asn Asp Cys Gln
Asn Asp Gln Cys
Asn Glu Cys Asn
Asn Glu Asn Cys
Asn Gly Cys Trp
C20H26N6O6S (478.16344560000005)
Asn Gly Trp Cys
C20H26N6O6S (478.16344560000005)
Asn Asn Cys Glu
Asn Asn Glu Cys
Asn Gln Cys Asp
Asn Gln Asp Cys
Asn Trp Cys Gly
C20H26N6O6S (478.16344560000005)
Asn Trp Gly Cys
C20H26N6O6S (478.16344560000005)
Pro Cys Glu Met
Pro Cys Met Glu
Pro Glu Cys Met
Pro Glu Met Cys
Pro Met Cys Glu
Pro Met Glu Cys
Gln Cys Asp Asn
Gln Cys Asn Asp
Gln Asp Cys Asn
Gln Asp Asn Cys
Gln Asn Cys Asp
Gln Asn Asp Cys
Ser Asp Glu Glu
C17H26N4O12 (478.15471560000003)
Ser Glu Asp Glu
C17H26N4O12 (478.15471560000003)
Ser Glu Glu Asp
C17H26N4O12 (478.15471560000003)
Thr Asp Asp Glu
C17H26N4O12 (478.15471560000003)
Thr Asp Glu Asp
C17H26N4O12 (478.15471560000003)
Thr Glu Asp Asp
C17H26N4O12 (478.15471560000003)
Trp Cys Gly Asn
C20H26N6O6S (478.16344560000005)
Trp Cys Asn Gly
C20H26N6O6S (478.16344560000005)
Trp Gly Cys Asn
C20H26N6O6S (478.16344560000005)
Trp Gly Asn Cys
C20H26N6O6S (478.16344560000005)
Trp Asn Cys Gly
C20H26N6O6S (478.16344560000005)
Trp Asn Gly Cys
C20H26N6O6S (478.16344560000005)
Tyr Cys Gly His
C20H26N6O6S (478.16344560000005)
Tyr Cys His Gly
C20H26N6O6S (478.16344560000005)
Tyr Gly Cys His
C20H26N6O6S (478.16344560000005)
Tyr Gly His Cys
C20H26N6O6S (478.16344560000005)
Tyr His Cys Gly
C20H26N6O6S (478.16344560000005)
Tyr His Gly Cys
C20H26N6O6S (478.16344560000005)
GW 590735
C23H21F3N2O4S (478.11740620000006)
Phloretin 2-O-(2-O-Acetylglucoside)
C23H26O11 (478.14750460000005)
4-O-methyl-(-)-epicatechin-5-O-beta-glucuronide
C23H26O11 (478.14750460000005)
4-O-methyl-(-)-epicatechin-7-O-beta-glucuronide
C23H26O11 (478.14750460000005)
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate
Kelampayoside A
Isolated from Cinnamomum cassia (Chinese cinnamon). Kelampayoside A is found in chinese cinnamon and herbs and spices.
isolindleyin
C23H26O11 (478.14750460000005)
Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside]
C23H26O11 (478.14750460000005)
(2-benzoyl-3-methylbenzoyl) 2-benzoyl-3-methylbenzenecarboperoxoate
BRL-15572
BRL-15572 dihydrochloride is a selective antagonist of h5-HT1D, displays high affinity for h5-HT1D receptors. BRL-15572 dihydrochloride could be useful pharmacological agents to characterise 5-HT1D receptor mediated responses[1].
1,5-Bis(2-carboxyanilino)anthraquinone
B-Raf inhibitor 1
C26H19ClN8 (478.14211240000003)
Raf inhibitor 1 is a potent Raf kinase inhibitor with Kis of 1 nM, 1 nM, and 0.3 nM for B-RafWT, B-RafV600E, and C-Raf, respectively.
9,10-Bis(diethylphosphonomethyl)anthracene
C24H32O6P2 (478.16740319999997)
7α-bromo-5,6β-epoxy-15β,16β-methylene-3β-pivaloyloxy-5β-androstan-17-one
C25H35BrO4 (478.17185700000005)
3-((2S,5S)-5-((3R,5R)-3-hydroxy-6-iodo-5-methylhept-6-enyl)-4-methylenetetrahydrofuran-2-yl)propyl pivalate
Omidenepag
C23H22N6O4S (478.14231720000004)
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
Beigene-283
C25H17F3N4O3 (478.12526879999996)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Lifirafenib (BGB-283) is a novel and potent Raf Kinase and EGFR inhibitor with IC50 values of 23 and 29 nM for recombinant BRafV600E and EGFR, respectively.
2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid
C23H21F3N2O4S (478.11740620000006)
O-(((1r)-((N-Phenylmethoxycarbonyl-L-Alanyl)amino)ethyl)hydroxyphosphono)-L-Benzylacetic Acid
Buzepide metiodide
C23H31IN2O (478.14810259999996)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
1-Acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-YL)piperazine
C25H26N4O4S (478.16746760000007)
Pazinaclone
C25H23ClN4O4 (478.14077480000003)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
AIDS-224552
C23H26O11 (478.14750460000005)
Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1]. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1].
AIDS-224551
C23H26O11 (478.14750460000005)
[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(1,4-dihydroxy-3-methylnaphthalen-2-yl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate
5-(2-Hydroxy-5-methyl-phenyl)-2H-pyrazole-3-carboxylic acid [4-(4,6-dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-amide
C23H22N6O4S (478.14231720000004)
N-(2-Benzyl-4-oxo-3(4H)-quinazolinyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinoline-6-carboxamide
Myrciacitrin III
C23H26O11 (478.14750460000005)
A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 5, methyl group at positions 6 and 8 and a beta-D-glucopyranosyloxy residue at position 2. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against aldose reductase.
2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(3,4-dimethoxyphenyl)methyl]-4-methoxybenzamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide
C24H22N4O5S (478.13108420000003)
6,7-Dimethoxy-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile
C25H26N4O4S (478.16746760000007)
1-[1-chloro-2-[(2-nitrophenyl)thio]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
2,2-dimethyl-6,7-bis[(4-nitrophenyl)methoxy]-3H-chromen-4-one
(4S,4aS,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C25H26N4O4S (478.16746760000007)
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C23H27FN2O6S (478.15737740000003)
(1S,9R,10R,11R)-12-(2-fluorobenzoyl)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
(1R,9S,10S,11S)-12-(2-fluorobenzoyl)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
(4S,4aS,5aR,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
4-(5-Methyl-1-phenylpyrazole-4-carbonyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
C25H26N4O4S (478.16746760000007)
3,4,5-Trihydroxy-6-[[8-(2-hydroxypropan-2-yl)-2-oxo-4-prop-2-enyl-8,9-dihydrouro[2,3-h]chromen-5-yl]oxy]oxane-2-carboxylic acid
C23H26O11 (478.14750460000005)
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,5-dimethylphenyl)benzamide
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3,5-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-ethylphenyl)benzamide
(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrate;hydrochloride
DM-4103
A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An oxobutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan.
Calceolarioside B
C23H26O11 (478.14750460000005)
A natural product found in Lepisorus contortus.
DX3-213B
DX3-213B is a highly potent, orally active oxidative phosphorylation (OXPHOS) complex I inhibitor (IC50=3.6 nM). DX3-213B impairs ATP generation (IC50=11 nM), and blocks MIA PaCa-2 cell growth (GI50=11 nM). DX3-213B is used for the research of the pancreatic cancer[1].
NCT-506
C25H23FN4O3S (478.14748199999997)
NCT-506 is an orally bioavailable aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors with an IC50 of 7 nM[1].
[(2r,3s,4e)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-3-yl]methyl 4-hydroxybenzoate
(2r,3r,4s,5s,6r)-2-{[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-6-{3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
C23H26O11 (478.14750460000005)
3-[(2s,3r,4ar,6r,7s,8s,8ar)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(3,4-dihydroxyphenyl)propan-1-one
C23H26O11 (478.14750460000005)
4,5-dihydroxy-6-(4-hydroxy-3-methoxyphenoxy)-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
(2r,3s,4s,5r,6s)-2-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2r,3r,4r,5r,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
(9r,9'r)-4,4',5,5'-tetrahydroxy-2,2'-dimethyl-9h,9'h-[9,9'-bianthracene]-10,10'-dione
(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
methyl 5-hydroxy-7-({[(methylsulfanyl)carbonyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
C19H26O12S (478.11449160000006)
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2r)-2-(4-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy]oxane-3,4,5-triol
(2s)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
C23H26O11 (478.14750460000005)
(2s,3s,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-6-[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4-diol
(2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
C23H26O11 (478.14750460000005)
7-[(benzoyloxy)methyl]-1-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H26O11 (478.14750460000005)
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
[(2r,3s,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
C23H26O11 (478.14750460000005)
1-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-hydroxy-7-methylidene-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H26O11 (478.14750460000005)
1,4',5',8-tetrahydroxy-2',6-dimethyl-9'h,10h-[2,9'-bianthracene]-9,10'-dione
3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl (3r,5r)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
C23H26O11 (478.14750460000005)
(3s,3ar,6as,9ar,9br)-3-hydroxy-6,9-dimethylidene-3-{2-oxo-2-[5'-(prop-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]ethyl}-octahydroazuleno[4,5-b]furan-2-one
C27H26O4S2 (478.12724360000004)
14-ethyl-2-hydroxy-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione
5-hydroxy-6,7-dimethoxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one
C23H26O11 (478.14750460000005)
(1r,4ar,7ar)-7-[(benzoyloxy)methyl]-1-{[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H26O11 (478.14750460000005)
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2-methyl-6-oxohepta-2,4-dienoate
(1s,4as,7as)-7-[(benzoyloxy)methyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H26O11 (478.14750460000005)
(2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C23H26O11 (478.14750460000005)
2-{[9-(3,4-dihydroxyphenyl)-2,3,5-trihydroxy-6,7-dihydro-5h-benzo[7]annulen-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C23H26O11 (478.14750460000005)