Exact Mass: 298.0537862
Exact Mass Matches: 298.0537862
Found 500 metabolites which its exact mass value is equals to given mass value 298.0537862,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ekalux
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Coumafuryl
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
Phoxim
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Apigenin 7,4'-dimethyl ether
Apigenin 7,4-dimethyl ether, also known as apigenin dimethylether or 4,7-dimethylapigenin, belongs to the class of organic compounds known as 7-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, apigenin 7,4-dimethyl ether is considered to be a flavonoid lipid molecule. Apigenin 7,4-dimethyl ether is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, apigenin 7,4-dimethyl ether has been detected, but not quantified in, common sages and sweet basils. This could make apigenin 7,4-dimethyl ether a potential biomarker for the consumption of these foods. BioTransformer predicts that apigenin 7,4-dimethyl ether is a product of 4,5,7-trimethoxyflavone metabolism via an O-dealkylation reaction and catalyzed by CYP2C9 and CYP2C19 enzymes (PMID: 30612223). 4-methylgenkwanin, also known as apigenin dimethylether or 4,7-dimethylapigenin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, 4-methylgenkwanin is considered to be a flavonoid lipid molecule. 4-methylgenkwanin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-methylgenkwanin can be found in common sage and sweet basil, which makes 4-methylgenkwanin a potential biomarker for the consumption of these food products. The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1] The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1]
Magnesium salicylate
Magnesium salicylate is a common analgesic and non-steroidal anti-inflammatory drug (NSAID) used to treat mild to moderate muscular pain. It is also used to treat headaches, general back pain, and certain joint pains like arthritis. It is found in a variety of over-the-counter (OTC) medications as an anti-inflammatory, primarily for back-pain relief. Magnesium Salicylate can be an effective OTC alternative to prescription NSAIDs, with both anti-inflamatory and pain-relieving effects. Though the recommended doseage is 1160 mg every six hours, per package directions of the Doans OTC brand (580 mg magnesium salicylate tetrahydrate, equivalent to 934.4 mg anhydrous magnesium salicylate), effective pain relief is often found with a half dosage, with reduced anti-inflammatory results. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
Bowdichione
A hydroxyisoflavone with a quinone structure in ring B. Isolated from Dalbergia parviflora, it exhibits antineoplastic and anti-inflammatory activities.
Irilone
Irilone is found in herbs and spices. Irilone is a constituent of Trifolium pratense (red clover). Constituent of Trifolium pratense (red clover). Irilone is found in tea and herbs and spices.
Sayanedin
Isolated from pods of Pisum sativum (pea). Sayanedin is found in pulses and common pea. Sayanedin is found in common pea. Sayanedin is isolated from pods of Pisum sativum (pea
2-Hydroxypseudobaptigenin
A pseudobaptigenin that is pseudobaptigenin substituted by a hydroxy groups at position 2.
Aflatoxin P1
Aflatoxin P1 is a metabolite of Aflatoxin B. It can be found in Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
5-hydroxypseudobaptigenin
A member of the class of 7-hydroxyisoflavones that is pseudobaptigenin substituted by hydroxy group at position 5.
castanin
A 4-methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 6 and 4 and a hydroxy group at position 7.
3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
Sativol
Sativol is found in alfalfa. Sativol is a constituent of alfalfa (Medicago sativa).
Benzoyl glucuronide (Benzoic acid)
Benzoyl glucuronide (Benzoic acid) is a natural human metabolite of Benzoic acid generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Benzoyl glucuronide (Benzoic acid) is a natural human metabolite of Benzoic acid generated in the liver by UDP glucuonyltransferase.
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid is found in saffron. 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron). 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid is found in saffron.
2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-one
4,5-dihydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
3-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one
Alfalone
Alfalone is found in alfalfa. Alfalone is isolated from alfalfa callus tissue. Isolated from alfalfa callus tissue. Alfalone is found in alfalfa and pulses.
Isotrifoliol
Isotrifoliol is found in herbs and spices. Isotrifoliol is a constituent of Glycyrrhiza uralensis (Chinese licorice) Constituent of Glycyrrhiza uralensis (Chinese licorice). Isotrifoliol is found in herbs and spices.
Trifoliol
Isolated from Medicago sativa (alfalfa) infected with leafspot (Ascochyta imperfecta) and Trifolium repens (white clover). Trifoliol is found in many foods, some of which are tea, herbs and spices, green vegetables, and alfalfa. Trifoliol is found in alfalfa. Trifoliol is isolated from Medicago sativa (alfalfa) infected with leafspot (Ascochyta imperfecta) and Trifolium repens (white clover).
4',5-Dihydroxy-7-methoxy-6-methylflavone
4,5-Dihydroxy-7-methoxy-6-methylflavone is found in beverages. 4,5-Dihydroxy-7-methoxy-6-methylflavone is isolated from Gaultheria procumbens (wintergreen
Glyzaglabrin
Glyzaglabrin is found in herbs and spices. Glyzaglabrin is isolated from root of Glycyrrhiza glabra (licorice). Isolated from root of Glycyrrhiza glabra (licorice). Glyzaglabrin is found in tea and herbs and spices.
3,8-Dihydroxy-9-methoxycoumestan
3,8-Dihydroxy-9-methoxycoumestan is found in pulses. 3,8-Dihydroxy-9-methoxycoumestan is isolated from alfalfa (Medicago sativa
N-Acetylserotonin sulfate
C12H14N2O5S (298.06233940000004)
N-Acetylserotonin sulfate is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
Sulforaphane-cysteine
6-Methylthioinosine
C11H14N4O4S (298.07357240000005)
6-Isopropoxy-9-oxoxanthene-2-carboxylic acid
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
Ethyl (E)-3-diethoxyphosphanylsulfinyloxybut-2-enoate
zaltoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Irisone B
Irisone b, also known as 2,5-dihydroxy-6,7-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, irisone b is considered to be a flavonoid lipid molecule. Irisone b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Irisone b can be found in common beet, which makes irisone b a potential biomarker for the consumption of this food product.
Nicotinamide ascorbate
It is used as a food additive
3'-deamino-3'-oxonicotianamine
3-deamino-3-oxonicotianamine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 3-deamino-3-oxonicotianamine can be found in a number of food items such as daikon radish, nutmeg, greenthread tea, and small-leaf linden, which makes 3-deamino-3-oxonicotianamine a potential biomarker for the consumption of these food products.
Sitostanol-beta
Moslosooflavone
5-Hydroxy-7,8-dimethoxyflavone is a natural product found in Uvaria rufa, Andrographis paniculata, and other organisms with data available. Moslosooflavone is a flavonoid isolated from Andrographis paniculata. Moslosooflavone has an anti-hypoxia and anti-inflammatory activities[1]. Moslosooflavone is a flavonoid isolated from Andrographis paniculata. Moslosooflavone has an anti-hypoxia and anti-inflammatory activities[1].
Apigenin 7,4'-dimethyl ether
Apigenin 7,4-dimethyl ether, also known as apigenin dimethylether or 4,7-dimethylapigenin, belongs to the class of organic compounds known as 7-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, apigenin 7,4-dimethyl ether is considered to be a flavonoid lipid molecule. Apigenin 7,4-dimethyl ether is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, apigenin 7,4-dimethyl ether has been detected, but not quantified in, common sages and sweet basils. This could make apigenin 7,4-dimethyl ether a potential biomarker for the consumption of these foods. BioTransformer predicts that apigenin 7,4-dimethyl ether is a product of 4,5,7-trimethoxyflavone metabolism via an O-dealkylation reaction and catalyzed by CYP2C9 and CYP2C19 enzymes (PMID: 30612223). 4-methylgenkwanin, also known as apigenin dimethylether or 4,7-dimethylapigenin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, 4-methylgenkwanin is considered to be a flavonoid lipid molecule. 4-methylgenkwanin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-methylgenkwanin can be found in common sage and sweet basil, which makes 4-methylgenkwanin a potential biomarker for the consumption of these food products. Apigenin 7,4-dimethyl ether is a dimethoxyflavone that is the 7,4-dimethyl ether derivative of apigenin. It has a role as a plant metabolite. It is a dimethoxyflavone and a monohydroxyflavone. It is functionally related to an apigenin. Apigenin 7,4-dimethyl ether is a natural product found in Teucrium polium, Calea jamaicensis, and other organisms with data available. A dimethoxyflavone that is the 7,4-dimethyl ether derivative of apigenin. The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1] The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1]
Mosloflavone
Mosloflavone is a member of flavonoids and an ether. Mosloflavone is a natural product found in Desmos dumosus, Phonus arborescens, and other organisms with data available. Mosloflavone is a flavonoid isolated from Scutellaria baicalensis Georgi with ?anti-EV71 activity. Mosloflavone? inhibits VP2 virus replication and protein expression during the initial stage of virus infection and inhibits viral VP2 capsid protein synthesis. Mosloflavone is a promising biocide and inhibits P. aeruginosa virulence and biofilm formation. Mosloflavone is a flavonoid isolated from Scutellaria baicalensis Georgi with ?anti-EV71 activity. Mosloflavone? inhibits VP2 virus replication and protein expression during the initial stage of virus infection and inhibits viral VP2 capsid protein synthesis. Mosloflavone is a promising biocide and inhibits P. aeruginosa virulence and biofilm formation.
2,8-Dimethoxy-7-hydroxy-3,4,-methylenedioxyphenanthrene
1-hydroxy-2,3-dimethoxy-7-methyl-9,10-anthraquinone
6-HYDROXY-1,3-DIMETHOXY-7-METHYLANTHRACENE-9,10-DIONE
4-[2-[(1-Carboxy-2-hydroxyethyl)imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
Syzalterin
Syzalterin is a natural product found in Pancratium maritimum with data available.
4,5-Dihydroxy-7-methoxy-5,2-oxido-4-phenylcoumarin
4-Methoxytectochrysin
The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1] The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1]
Irilone
A hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4.
3-HYDROXY-3,4-DIMETHOXYFLAVONE
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.219 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.221 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.218 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.224
2-O-caffeoylthreonic acid|E-2-(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)-3,4-dihydroxybutanoic acid
(-)-alpinone|(2S,3S)-3,5-dihydroxy-7-methoxyflavanone
5,7-dihydroxy-6-methyl-3-(4-hydroxybenzyl) chromone
7-hydroxy-2,6-dimethoxy-5H-phenanthro[4,5-bcd]pyran-5-ol|agrostophyllanthrol|isoagrostophyllantrol
5,7-dihydroxy-3-(4-hydroxybenzyl)-8-methylchromone
9,10-dihydroxy-5-methoxy-2H-pyrano[2,3,4-kl]xanthen-2-one
4H-1-benzopyran-4-one, 3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-
5-Hydroxy-7-methoxy-3-(4-hydroxybenzylidene)chroman-4-one
2H-1-Benzopyran-8-carboxaldehyde, 3,4-dihydro-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-
Eutypoid D
A butenolide that is furan-2(5H)-one substituted by a 3,5-dihydroxyphenyl group at position 3 and a 4-hydroxybenzyl group at position 4. It has been isolated from Penicillium species.
6-Hydroxy-5-methoxy-2-(4-methoxy-phenyl)-chromen-7-on|6-hydroxy-5-methoxy-2-(4-methoxy-phenyl)-chromen-7-one
ibericin
Lucidin ethyl ether is a natural product found in Rubia alata, Rubia lanceolata, and other organisms with data available.
1-Hydroxy-3,8-dimethoxy-2-methyl-anthrachinon|3,8-Di-Me ether-1,3,8-Trihydroxy-2-methylanthraquinone
(3E)-2,3-dihydro-7-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)-methylene]-4H-1-benzopyran-4-one|E-7-hydroxy-3-(3-hydroxy-4-methoxybenzylidene)-chroman-4-one
3,6-Dimethoxy-1,4,5,8-tetrahydrophenanthrene-1,4,5,8-tetraone
8-hydroxy-1,2-dimethoxy-3-methylanthracene-9,10-dione
1,5-dihydroxy-8-methoxy-2,3-dimethyl-9,10-anthraquinone
4h-1-benzopyran-4-one,5-hydroxy-7-methoxy-2-(3-methoxyphenyl)-
(E)-4-demethyl-6-methyleucomin|(E)-5,7-dihydroxy-3-(4-hydroxybenzylidene)-6-methylchroman-4-one|Eucomnalin
1-Methoxy-2-hydroxy-3-methyl-6-methoxy-9,10-anthraquinone
8-bromo-9-hydroxy-7,7-dimethyl-11-methylenespiro[5.5]undec-1-en-3-one|mailione|mailione
C14H19BrO2 (298.05683339999996)
1-Hydroxy-4-(methylsulfinyl)-6H-indolo[3,2,1-de][1,5]naphthyridine-6-one
C15H10N2O3S (298.04121100000003)
2(S)-7,4-dihydroxy-3-formylflavanone|erythribyssin K
6-Desmethylsideroxylin
A monomethoxyflavone that is sideroxylin in which the methyl group at position 6 has been replaced by a hydrogen. It has been isolated from Hydrastis canadensis and Dracaena cochinchinensis.
6,8-dimethylisogenistein
A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 2 and methyl group at positions 6 and 8. It has been isolated from Pisonia aculeata.
3-Hydroxy-2,4-dimethoxy-7,8-methylenedioxyphenanthrene
(2S)-8-formyl-7-hydroxy-5-methoxyflavanone|5-methoxy-7-hydroxy-8-formylflavanone
(S)-2-(8-hydroxy-4-oxo-2-phenylchroman-5-yl)acetic acid|cryptogione C
5,2-dihydroxy-7-methoxy-3-benzylidenechroman-4-one|portulacanone D
2beta,3beta-dihydroxy-3alpha-vanilloylmethyl-gamma-lactone|phellolactone
2,4-Dihydroxy-4-methoxy-5-formylchalkon|Neobavachalcon|Neobavachalcone
6-(2,4-dimethoxyphenyl)furo[2,3-f][1,3]benzodioxole
2-(2-hydroxy-4-methoxyphenyl)-3-methyl-5,6-dioxymethylene-benzofuran|2-(2-hydroxy-4-methoxyphenyl)-3-methyl-5,6-dioxymethylene-benzo[b]furan|2-(2-Hydroxy-4-methoxyphenyl)-3-methyl-5,6-methylenedioxybenzofuran
1,3-Dihydroxy-2-methoxy-(1)benzoxolo(2,3-b)chromen-11-one
(2E,4Z)-1,5-Bis(3,4-dihydroxyphenyl)penta-2,4-dien-1-one|sinensigenin B
(S)-4-methoxy-7-phenyl-7,8-dihydro[1,3]dioxolo[4,5-g]isochromen-5-one
Eutypoid C
A butenolide that is furan-2(5H)-one substituted by a 3,4-dihydroxybenzyl group at position 4 and a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium species.
6-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
4-(4-Methoxyphenyl)-5-hydroxy-7-methoxy-2H-1-benzopyran-2-one
Tri-Me ether-1,3,4-Trihydroxy-2,7-phenanthraquinone
2-Anthracenecarboxylic acid, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, methyl ester
1-hydroxy-3,8-dimethoxy-6-methylanthracene-9,10-dione
AH 6809
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
Calcium Pantothenate
C9H16NO5.1/2 Ca (298.02802460000004)
D-Pantothenic acid hemicalcium salt is a vitamin that reduces patulin in apple juice. D-Pantothenic acid hemicalcium salt is a vitamin that reduces patulin in apple juice.
KBio2_007587
7,4-Dimethoxy-5-hydroxyisoflavone is a natural product found in Peperomia humilis, Peperomia leptostachya, and other organisms with data available.
Hedysarimcoumestan B
Hedysarimcoumestan B is a natural product found in Corethrodendron multijugum and Glycyrrhiza glabra with data available.
COUMAFURYL
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins CONFIDENCE standard compound; EAWAG_UCHEM_ID 3091
4,7-Dimethoxy-3-hydroxyflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.311 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.307
3,7-Dimethoxy-3-hydroxyflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.301 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.294
5-hydroxy-6,7-dimethoxy-2-phenylchromen-4-one
C11H14N4O4S_6H-Purin-6-one, 1,9-dihydro-9-(5-S-methyl-5-thiopentofuranosyl)
C11H14N4O4S (298.07357240000005)
3,8-dihydroxy-1-methylanthraquinone-2-carboxylic acid
Isotrifoliol
(3-PIPERIDIN-4-YL-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
C11H13F3O4S (298.04866140000007)
2-(4-METHYL-6-OXO-6H-BENZO[C]CHROMEN-3-YLOXY)-PROPIONIC ACID
4-ACETYLTETRAHYDRO-1(2H)-PYRAZINECARBOXIMIDAMIDE HYDROIODIDE
C7H15IN4O (298.02905699999997)
3-(2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-sulfonyl)-propionic acid
C11H10N2O6S (298.02595600000006)
TERT-BUTYL 7-CHLORO-5-NITRO-3H-IMIDAZO[4,5-B]PYRIDINE-3-CARBOXYLATE
(3R,4S)-4-(4-CHLOROPHENYL)-1-METHYLPIPERIDINE-3-CARBOXYLICACIDMETHYLESTER
C11H13F3O4S (298.04866140000007)
7-Chloro-8-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
7-Chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
7-Chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
3-AMINO-3-[5-(2,4-DICHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
3-AMINO-3-[5-(2,5-DICHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
3-AMINO-3-[5-(3,4-DICHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
2-[(4-Fluorophenyl)sulfonyl]hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one
Unifiram (DM232) is acts as a potent cognition enhancer?through the activation of the AMPA-mediated neurotransmission system. Unifiram (DM232) has the potential for amnesia prevention and neurodegenerative disorder research[1][2].
3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole-5-carbonitrile
1-[2-(4-Bromophenoxy)ethyl]-4-methylpiperazine
C13H19BrN2O (298.06806639999996)
1-(2,4-DICHLORO-BETA-[(2,4-DICHLOROBENZYL)OXY]PHENETHYL)IMIDAZOLENITRATE
METHYL 2-FLUORO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLATE
C15H10F4O2 (298.06168879999996)
METHYL 4-FLUORO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLATE
C15H10F4O2 (298.06168879999996)
5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative
6-Methylmercaptopurine riboside
C11H14N4O4S (298.07357240000005)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite 6-Methylmercaptopurine riboside is a purine nucleoside analog. 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].
3-(4-ETHOXYPHENYL)-2-THIOXO-2,3-DIHYDROQUINAZOLIN-4(1H)-ONE
1-[(4-Methylphenyl)sulfonyl]-5-vinyl-1H-pyrrolo[2,3-b]pyridine
2-Naphthalenol,1-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-
N-(4-CHLOROBENZYL)-N-(4-METHOXYPHENYL)HYDRAZINE HYDROCHLORIDE
C14H16Cl2N2O (298.06396259999997)
METHYL 3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
2-Amino-2-[6-(4-chlorophenyl)-3-pyridyl]acetic Acid Hydrochloride
(2-AMINOETHYL)TRIMETHYLAMMONIUMCHLORIDEHYDROCHLORIDE
C12H12ClN2O3P (298.02740420000003)
DIETHYL 2-(((5-CHLOROPYRIDIN-2-YL)AMINO)METHYLENE)MALONATE
ISOPROPYL 3-CHLORO-5-METHOXY-6-METHYLBENZO[B]THIOPHENE-2-CARBOXYLATE
3-(5-(2-TRIFLUOROMETHOXYPHENYL)2-FURYL)PROPENOIC ACID
5-(4-CHLORO-PHENYL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoicacid
tert-butyl 3-bromo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate
2-[(5-bromo-7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]acetohydrazide
2-(PIPERAZIN-1-YL)-N-THIAZOL-2-YL-ACETAMIDEDIHYDROCHLORIDE
C9H16Cl2N4OS (298.04218260000005)
3-(4-CHLORO-PHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
8-(5-bromo-pyridin-2-yl)-1,4-dioxa-8-aza-spiro[4.5]decane
N-carbamoyl-5-cyano-6-phenylsulfanylpyridine-3-carboxamide
C14H10N4O2S (298.05244400000004)
2-(4-CHLORO-PHENYL)-5-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoic acid
C14H10N4O2S (298.05244400000004)
(1-AMINOMETHYL-CYCLOHEXYL)-CARBAMICACIDTERT-BUTYLESTER
trans-4-[[(2-Amino-5-bromophenyl)Methyl]amino]-cyclohexanol
C13H19BrN2O (298.06806639999996)
3-b-D-Ribofuranosyl-6-hydroxyMethyl-furano[2,3-d]-pyriMidin-2-one
trans-2-(4-Bromophenyl)-5-butyl-1,3-dioxane
C14H19BrO2 (298.05683339999996)
3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BBrO3 (298.03757959999996)
(4-(4-(TRIFLUOROMETHOXY)PHENOXY)PHENYL)BORONIC ACID
C13H10BF3O4 (298.06242060000005)
3-(2-ethoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
1-(2,4-Dichlorophenoxyacetyl)-3,5-dimethyl pyrazole
ethyl (2Z,4Z)-5-chloro-2-(chloromethyl)-5-(4-methylphenyl)penta-2,4-dienoate
C15H16Cl2O2 (298.05272959999996)
Glyprothiazol
C11H14N4O2S2 (298.05581440000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
8-Hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
Mailione
C14H19BrO2 (298.05683339999996)
A sesquiterpenoid isolated from the marine red algae, Laurencia scoparia.
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
4H-1-Benzopyran-4-one, 7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
(1,8-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetic acid
Zaltoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
AIDS-071717
The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1] The compound 7,4'-Di-O-methylapigenin may be partly responsible for the reported antifungal activity of C. zeyheri, and may serve as a potential source of lead compounds that can be developed as antifungal phytomedicines.And it also showed inhibition of the drug efflux pumps (with IC50 = 51.64 μg/ml). IC50:51.64 μg/ml(Candida albicans drug efflux pumps)[2] In vitro: The isolated 7,4'-Di-O-methylapigenin was further investigated for its inhibitory activity on ABC drug efflux pumps in C. albicans by monitoring an increase in ciprofloxacin, assessing the level of its accumulation, in response to reserpine. There was a higher accumulation of ciprofloxacin in Candida cells in the presence of 7,4'-Di-O-methylapigenin than with reserpine. The compound 7,4'-Di-O-methylapigenine demonstrated the activity in a dose-dependent manner with IC50 value of 51.64 μg/ml. These results support those obtained from synergism assays where by the underlying synergistic antifungal mechanisms could be due to blockage of ABC efflux pumps and increasing the susceptibility of Candida to miconazole.[2] In vivo: In searching for natural products as potential anti-inflammatory agents, 7,4'-Di-O-methylapigenin wasn't evaluated in vivo for its ability to inhibit acute inflammation.[1]
Aflatoxin P1
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins Metabolite of Aflatoxin B1
N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one
6-Benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Nicotinamide ascorbate
It is used as a food additive
3-Benzyl-3,6-disulfanyl-6-(hydroxymethyl)-diketopiperazine
7-[(2S)-2-amino-2-carboxyethyl]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
C12H14N2O5S (298.06233940000004)
Ethyl (E)-3-diethoxyphosphanylsulfinyloxybut-2-enoate
(3e,3ar,8bs)-3-({[(2r)-4-Methyl-5-Oxo-2,5-Dihydrofuran-2-Yl]oxy}methylidene)-3,3a,4,8b-Tetrahydro-2h-Indeno[1,2-B]furan-2-One
3-[5-[(E)-(1H-tetrazol-5-ylhydrazono)methyl]-2-furyl]benzoic acid
C13H10N6O3 (298.08143500000006)
Ethyl 3-cyano-6-methyl-2-(phenylthio)isonicotinate
(3E,3aS,8bR)-3-({[(2S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
3-[(3-Methylphenyl)methylthio]-6-thiophen-2-ylpyridazine
N-(4-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
2-{[(E)-thiophen-2-ylmethylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamide
5-nitro-2-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3-1H-indole]one
(3E)-3-{[(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy]methylidene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) butanoate
C10H19O8P (298.08175040000003)
(1-Acetyloxy-3-phosphonooxypropan-2-yl) pentanoate
C10H19O8P (298.08175040000003)
Magnesium salicylate
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
QUINALPHOS
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
8-Desmethylsideroxylin
A monomethoxyflavone that is sideroxylin in which the methyl group at position 8 is replaced by a hydrogen. It has been found in Hydrastis canadensis and Eucalyptus species.
8-methoxy-12-phenyl-4,6,11-trioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-trien-10-one
8-[(1-hydroxyethylidene)amino]-7-oxophenoxazine-2-carboxylic acid
5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxychromen-4-one
6-hydroxy-7-methoxy-4-(4-methoxyphenyl)chromen-2-one
5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methylchromen-4-one
3,5-dihydroxy-7-methoxy-2-phenyl-2,3-dihydronaphthalene-1,4-dione
(2s,3s)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxybutanoic acid
6,8-dihydroxy-3-(2-hydroxy-6-methylphenyl)-7-methylisochromen-1-one
(2e)-1,5-bis(3,4-dihydroxyphenyl)penta-2,4-dien-1-one
3-hydroxy-1-methoxy-2-(methoxymethyl)anthracene-9,10-dione
(6as)-9-acetyl-6a-methyl-3-[(1e)-prop-1-en-1-yl]furo[2,3-h]isochromene-6,8-dione
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxybutanoic acid
3,5-dihydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
2-hydroxy-1,6-dimethoxy-3-methylanthracene-9,10-dione
(2s,4r,5s,6s,7r)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
(2s,3s)-3,5-dihydroxy-7-methoxy-2-phenyl-2,3-dihydronaphthalene-1,4-dione
3-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-2h-1-benzopyran-4-one
3-hydroxy-1,2-dimethoxy-6-methylanthracene-9,10-dione
5,7-dihydroxy-6-methoxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
6-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxychromen-2-one
4-hydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxybenzaldehyde
1-methoxy-2-methoxymethyl-3-hydroxyanthraquinion
{"Ingredient_id": "HBIN002694","Ingredient_name": "1-methoxy-2-methoxymethyl-3-hydroxyanthraquinion","Alias": "NA","Ingredient_formula": "C17H14O5","Ingredient_Smile": "COCC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31561","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-methoxy-2-methoxymethyl-3-hydroxy-anthraquinone
{"Ingredient_id": "HBIN002695","Ingredient_name": "1-methoxy-2-methoxymethyl-3-hydroxy-anthraquinone","Alias": "NA","Ingredient_formula": "C17H14O5","Ingredient_Smile": "COCC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13991","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,4,7-trihydroxyphenanthraquinone; tri-me ether
{"Ingredient_id": "HBIN004266","Ingredient_name": "2,4,7-trihydroxyphenanthraquinone; tri-me ether","Alias": "NA","Ingredient_formula": "C17H14O5","Ingredient_Smile": "NA","Ingredient_weight": "298.29","OB_score": "NA","CAS_id": "263761-53-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8903","PubChem_id": "NA","DrugBank_id": "NA"}
2′-o-methylabronisoflavone
{"Ingredient_id": "HBIN006250","Ingredient_name": "2\u2032-o-methylabronisoflavone","Alias": "NA","Ingredient_formula": "C17H14O5","Ingredient_Smile": "CC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=CC=C3OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14102","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,9-dihydroxy-4-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one
{"Ingredient_id": "HBIN007844","Ingredient_name": "3,9-dihydroxy-4-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one","Alias": "NA","Ingredient_formula": "C16H10O6","Ingredient_Smile": "COC1=C(C=CC2=C1OC(=O)C3=C2OC4=C3C=CC(=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5961","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxycarbonyl-1,5-dihydroxyanthra-quinone
{"Ingredient_id": "HBIN008820","Ingredient_name": "3-methoxycarbonyl-1,5-dihydroxyanthra-quinone","Alias": "NA","Ingredient_formula": "C16H10O6","Ingredient_Smile": "COC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C=CC=C3O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13866","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-4-(e)-caffeoyl-l-threonicacid
{"Ingredient_id": "HBIN010346","Ingredient_name": "(?)-4-(e)-caffeoyl-l-threonicacid","Alias": "NA","Ingredient_formula": "C13H14O8","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC(C(C(=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2928","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-4′,7-dimethoxyflavone
{"Ingredient_id": "HBIN011613","Ingredient_name": "5-hydroxy-4\u2032,7-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C17H14O5","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40929","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6s,8s,9r)-8-bromo-9-hydroxy-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-en-3-one
C14H19BrO2 (298.05683339999996)
(3,4-dihydroxy-5-oxooxolan-3-yl)methyl 4-hydroxy-3-methoxybenzoate
5,14-dihydroxy-13-methoxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
8-hydroxy-4-[(s)-methanesulfinyl]-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O3S (298.04121100000003)
(2r,4ar,6r,7s,8s,8ar)-6-(hydroxymethyl)-2-(methanesulfonylmethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
C10H18O8S (298.07223480000005)
8-hydroxy-4-methanesulfinyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O3S (298.04121100000003)
3,4-dihydroxy-1-methoxy-9,10-dioxoanthracene-2-carbaldehyde
2-(hydroxymethyl)-6-[(3-methanesulfonylprop-2-en-1-yl)oxy]oxane-3,4,5-triol
C10H18O8S (298.07223480000005)
4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carbaldehyde
(2s,4ar,6r,7s,8s,8ar)-6-(hydroxymethyl)-2-(methanesulfonylmethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
C10H18O8S (298.07223480000005)
7-hydroxy-6-(methoxycarbonyl)phenazine-1-carboxylic acid
2-[(6-hydroxypurin-9-yl)methyl]-5-(methylsulfanyl)oxolane-3,4-diol
C11H14N4O4S (298.07357240000005)
[(3s,4s)-3,4-dihydroxy-5-oxooxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
(2r,3s,4r,5r)-2-[(6-hydroxypurin-9-yl)methyl]-5-(methylsulfanyl)oxolane-3,4-diol
C11H14N4O4S (298.07357240000005)
3-hydroxy-1-methoxy-9,10-dioxoanthracene-2-carboxylic acid
3,5-dihydroxy-1-methoxy-9,10-dioxoanthracene-2-carbaldehyde
5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
7,14-dihydroxy-5-methoxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
methyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate
(2s,4r,5r,6s,7s)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one
n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}octanimidic acid
6-(hydroxymethyl)-2-(methanesulfonylmethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
C10H18O8S (298.07223480000005)
7-hydroxy-3-(7-hydroxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
5,14-dihydroxy-6-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
8-bromo-9-hydroxy-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-en-3-one
C14H19BrO2 (298.05683339999996)
4,14-dihydroxy-5-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
4,5-dihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
(2s,3r)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxybutanoic acid
methyl 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2e)-3-methanesulfonylprop-2-en-1-yl]oxy}oxane-3,4,5-triol
C10H18O8S (298.07223480000005)
(8r,9s)-8-bromo-9-hydroxy-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-en-3-one
C14H19BrO2 (298.05683339999996)