Exact Mass: 288.10964140000004
Exact Mass Matches: 288.10964140000004
Found 500 metabolites which its exact mass value is equals to given mass value 288.10964140000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Shikonin
Shikonin is a hydroxy-1,4-naphthoquinone. Shikonin is a natural product found in Echium plantagineum, Arnebia hispidissima, and other organisms with data available. See also: Arnebia guttata root (part of); Arnebia euchroma root (part of); Lithospermum erythrorhizon root (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7]. Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7].
(R)-Myclobutanil
CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9239; ORIGINAL_PRECURSOR_SCAN_NO 9237 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9258; ORIGINAL_PRECURSOR_SCAN_NO 9257 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9204; ORIGINAL_PRECURSOR_SCAN_NO 9201 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9323; ORIGINAL_PRECURSOR_SCAN_NO 9321 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9296; ORIGINAL_PRECURSOR_SCAN_NO 9295 CONFIDENCE standard compound; INTERNAL_ID 705; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9303; ORIGINAL_PRECURSOR_SCAN_NO 9300 CONFIDENCE standard compound; INTERNAL_ID 8383 CONFIDENCE standard compound; INTERNAL_ID 2563 D016573 - Agrochemicals D010575 - Pesticides
C.I. Natural Red 20
Red dye component of alkanet root extract used for colouring sausage casings, margarine, confectionery and wine. This extract, formerly FEMA 2016, has been removed from the FEMA GRAS (Generally Recognized As Safe) list. Not permitted in Germany. Japan approved Red dye component of alkanet root extract used for colouring sausage casings, margarine, confectionery and wine. This extract, formerly FEMA 2016, has been removed from the FEMA GRAS list. Not permitted in Germany. Japan approved. C.I. Natural Red 20 is a naphthoquinone. C.I. Natural Red 20 is a natural product found in Boraginaceae, Lithospermum erythrorhizon, and other organisms with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7]. Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7].
METHITURAL
C12H20N2O2S2 (288.09661400000005)
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
R-Soterenol
C12H20N2O4S (288.11437200000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
Tetrazepam
Allergic reactions can develop to tetrazepam and it is considered to be a potential allergen. Drug rash and drug-induced eosinophilia with systemic symptoms is a known complication of tetrazepam exposure. These hypersensitive allergic reactions can be of the delayed type. Drowsiness is a common side effect of tetrazepam. A reduction in muscle force can occur. Myasthenia gravis, a condition characterised by severe muscle weakness is another potential adverse effect from tetrazepam. Cardiovascular and respiratory adverse effects can occur with tetrazepam similar to other benzodiazepines. Prolonged use, as with all benzodiazepines, should be avoided, as tolerance occurs and there is a risk of benzodiazepine dependence and a benzodiazepine withdrawal syndrome after stopping or reducing dosage. Tetrazepam (is marketed under the following brand names, Clinoxan, Epsipam, Myolastan, Musaril, Relaxam and Spasmorelax) is a benzodiazepine derivative with anticonvulsant, anxiolytic, hypnotic and muscle relaxant properties. It is used mainly in Austria, France, Belgium, Germany and Spain to treat muscle spasm, anxiety disorders such as panic attacks, or more rarely to treat depression, premenstrual syndrome or agoraphobia. Tetrazepam has relatively little sedative effect at low doses while still producing useful muscle relaxation and anxiety relief. Tetrazepam is an unusual benzodiazepine in its molecular structure as it has cyclohexenyl group which has substituted the typical 5-phenyl moiety seen in other benzodiazepines. Tetrazepam, is rapidly absorbed after oral administration, within 45 mins and reaches peak plasma levels in less than 2 hours. It is classed as an intermediate acting benzodiazepine with an elimination half-life of approximately 15 hours. It is primarily metabolised to the inactive metabolites 3-hydroxy-tetrazepam and norhydroxytetrazepam. The pharmacological effects of tetrazepam are significantly less potent when compared against diazepam, in animal studies. Tetrazepam is a benzodiazepine site agonist and binds unselectively to type 1 and type 2 benzodiazepine site types as well as to peripheral benzodiazepine receptors. The muscle relaxant properties of tetrazepam are most likely due to a reduction of calcium influx. Small amounts of diazepam as well as the active metabolites of diazepam are produced from metabolism of tetrazepam. The metabolism of tetrazepam has led to false accusations of prisoners prescribed tetrazepam of taking illicit diazepam; this can lead to increased prison sentences for prisoners. Tetrazepam, like other benzodiazepines is a drug which is very frequently used in overdoses. These overdoses are often mixed overdoses, i.e. a mixture of other benzodiazepines or other drug classes with tetrazepam. M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents
4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)-3-methoxybenzene-1,2-diol
11-Methoxyyangonin
11-Methoxyyangonin is found in beverages. 11-Methoxyyangonin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002 11-Methoxyyangonin is a natural kavalactone.
1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
2-(4-Methyl-1,3-pentadienyl)anthraquinone
2-(4-Methyl-1,3-pentadienyl)anthraquinone is found in fats and oils. 2-(4-Methyl-1,3-pentadienyl)anthraquinone is isolated from the hairy root culture of Sesamum indicum (sesame). Isolated from the hairy root culture of Sesamum indicum (sesame). 2-(4-Methyl-1,3-pentadienyl)anthraquinone is found in fats and oils.
10-Methoxyyangonin
10-Methoxyyangonin is found in beverages. 10-Methoxyyangonin is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). 10-Methoxyyangonin is found in beverages.
Fospropofol
C13H21O5P (288.11265460000004)
Fospropofol is only found in individuals that have used or taken this drug. It is a prodrug and gets converted into Propofol in the liver. Fospropofol is, therefore, a short acting hypnotic/sedative/anesthetic agent. It has uses in general anesthesia, procedure sedation, and veterinary medicine.The action of propofol involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid (GABA) through GABA-A receptors. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman
1-(3-methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman is a polyphenol compound found in foods of plant origin (PMID: 20428313)
3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid
3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is found in alcoholic beverages. 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is present in soy and worcester sauces, yeast extract and wine as the (3S)-diastereoisomers. 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is formed by Pictet-Spengler condensation of tryptophan with 4-oxobutanoic acid to give predominantly the cis-isomer Present in soy and worcester sauces, yeast extract and wine as the (3S)-diastereoisomers. Formed by Pictet-Spengler condensation of tryptophan with 4-oxobutanoic acid to give predominantly the cis-isomer. 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid is found in alcoholic beverages and herbs and spices.
5'-Methoxy-O-desmethylangolensin
5-Methoxy-O-desmethylangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6'-Hydroxyangolensin
6-Hydroxyangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5-(Aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
Piromidic acid
C14H16N4O3 (288.12223459999996)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
Soterenol monohydrochloride
C12H20N2O4S (288.11437200000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
4-Methyl-1-(1,4,5,8-tetrahydroxynaphthalen-2-yl)pent-2-en-1-one
Libanoridin
Columbianetin acetate is an acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as a plant metabolite. It is a furanocoumarin and an acetate ester. Columbianetin acetate is a natural product found in Murraya siamensis, Murraya koenigii, and other organisms with data available. An acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
Alkannin
Alkannin is a hydroxy-1,4-naphthoquinone. Alkannin is a natural product found in Arnebia hispidissima, Alkanna cappadocica, and other organisms with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3].
1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
3,4-Dimethoxy-2,6,7-trihydroxy-9,10-dihydrophenanthrene
2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Columbianetin acetate
(S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
Asebogenin
A member of the class of dihydrochalcones that is the 4-methyl ether derivative of phloretin.
3,4-Dihydro-1-(4-hydroxy-3-methoxyphenyl)-1H-2-benzopyran-6,7-diol
1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1-propanone.
Loureirin D
Loureirin D is a natural product found in Dracaena cochinchinensis with data available.
DIAZOXON
C12H21N2O4P (288.12388760000005)
An organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2705
Ethyl 2-cyano-2-[4-(hydroxymethyl)-5-phenyl-1,3-oxazolan-2-yliden]acetate
2,3,4-Tri-Me ether-2,3,4,6-Tetrahydroxybenzophenone
(1R,2S,5R,6R)-2-(1-bromoethyl)-2,5-dimethyl-6-(pent-4-enyl)-tetrahydropyran
7H-Furo(3,2-g)(1)benzopyran-7-one, 3,9-dimethoxy-2-(1-methylethyl)-
4-Hydroxy-8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3,-b]furan-9(4H)-one
(+)-ventiloquinone L|(1R,3S)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione|(1R,3S)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione|ventiloquinone L|ventiloquinone-L
3-methoxybenzyl 2-hydroxy-6-methoxybenzoate|3-methoxybenzyl 2-hydroxy-6-methoxybenzoate
(S)-5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione|alkannin|shikalkin
Angelicone
5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2-oxo-2H-chromene is a natural product found in Angelica sinensis, Angelica pubescens, and Angelica ursina with data available.
(3R,4S)-3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol|conferol A
(3R)-1-deoxyaustrocortilutein|(R)-1-Deoxyaustrocortilutein|1-deoxyaustrocortilutein
Deca-2t,8t-dien-4,6-diinsaeure-deca-2t,8t-dien-4,6-diinylester|deca-2t,8t-diene-4,6-diynoic acid deca-2t,8t-diene-4,6-diynyl ester
acetic acid 2-(7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl)propan-2-yl ester
2-Hydroxymethyl-5-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
9,10-Dihydro-4,6-dimethoxyphenanthrene-2,3,7-triol
3(R)-2,3-dihydro-6-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran|erythribyssin H
4,7-dimethoxy-1,2,5-trihydroxy-9,10-dihydrophenanthrene
3-Methyl-7,9-dimethoxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
(alphaR)-alpha,2,4-trihydroxy-4-methoxydihydrochalcone|4-Me ether-(R)-1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone|4-methoxy-alpha,2,4-trihydroxydihydrochalcone
methyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate
3-hydroxybenzyl-2,6-dimethoxybenzoate|3-hydroxybenzyl 2,6-dimethoxybenzoate
2-Methoxy-4-(alpha-phenylbenzylidene)-2,5-cyclohexadiene-1-one
6,12-dimethoxy-3-(1,2-dihydroxyethyl)-beta-carboline
5,12-dihydroxy-3-methoxy-dibenzyl-6-carboxylic acid|5,12-dihydroxy-3-methoxybibenzyl-6-carboxylic acid
2-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propanone|peapolyphenol A
((7S)-8-(benzo[3,4]dioxol-1-yl)-7-hydroxypropyl)benzene-2,4-diol
6-(4-acetoxy-3-methyl-2-butenyl)-7-hydroxycoumarin
methyl 2-(6-hydroxy-7-methyl-1,4-dioxodihydronaphthalen-2-yl)-2-methylpropanoate|trigonoheterone
2,4,6-trihydroxy-4-methoxydihydrochalcone|3-(2,6-dihydrox-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
(2S)-6,3,4-trihydroxy-7-methoxyflavan|griffinoid D
(E)-5-(3,5-dihydroxystyryl)-2-(2-hydroxyethyl)benzene-1,3-diol|gramistilbenoid A
3-hydroxy-5-methylphenyl-2-hydroxy-4-methoxy-6-methylbenzoate|evernol
5-Hydroxymethyl-6-endo-(3-methoxy-4-hydroxyphenyl)-8-oxa-bicyclo[3.2.1]-oct-3-en-2-one
8,8-Dimethyl-2-oxopyrano[6,5-f]chroman-9-yl acetate
3-(2,4-Dihydroxy-6-methoxybenzyl)-2,3-dihydrobenzofuran-6-ol
7-Methoxyhemigossypolon|Hemigossypolon-7-methyl-ether|hemigossypolone 6-methyl ether|hemigossypolone-6-metyl ether|p-hemigossypolone-6-methyl ether
9,10-Dihydro-6,7-dimethoxy-2,3,5-phenanthrenetriol
3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
1,11b-Dihydro-11b-hydroxymedicarpin
1,11b-Dihydro-11b-hydroxymedicarpin is a natural product found in Ononis viscosa with data available.
3,4,5-Trimethyl-4,8-dihydroxy-7-methoxynaphtho[2,3-b]furan-9(4H)-one
3-benzylidene-8,8a-dihydroxy-2-methyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
2-Hydroxy-5-(2-hydroxy-4-methoxybenzyl)-4-methoxybenzaldehyde
8,9-dimethoxy-5-methylnaphtho<1,8-de>-1,3-dioxin-4-yl methyl ketone|ventilagone
1-oxo-4(S),9-dihydroxy-8-methoxy-6-hydroxymethyl-1,2,3,4-tetrahydroanthracene
piromidic acid
C14H16N4O3 (288.12223459999996)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
Trimethylhispidin
11-Methoxyyangonin is an aromatic ether and a member of 2-pyranones. 11-Methoxyyangonin is a natural product found in Polygala sellowiana with data available. 11-Methoxyyangonin is a natural kavalactone.
Myclobutanil
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 2957
Tetrazepam
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3330
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
C15H16N2O4_(2E,11aS)-2-Ethylidene-8-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847476]
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
1,1-Disulfanediyldiazepan-2-one
C12H20N2O2S2 (288.09661400000005)
CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8416; ORIGINAL_PRECURSOR_SCAN_NO 8414 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8451; ORIGINAL_PRECURSOR_SCAN_NO 8448 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8464; ORIGINAL_PRECURSOR_SCAN_NO 8461 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8494; ORIGINAL_PRECURSOR_SCAN_NO 8492 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8498; ORIGINAL_PRECURSOR_SCAN_NO 8496 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8509; ORIGINAL_PRECURSOR_SCAN_NO 8507
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate_major
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman
11-Methoxyyangonin
11-Methoxyyangonin is a natural kavalactone.
1-(2-Carboxyethyl)-1,2,3,4-tetrahydro-b-carboline-3-carboxylic acid
2-(4-Methyl-1,3-pentadienyl)anthraquinone
Musaril
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents
ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
Neutral Red
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004396 - Coloring Agents
Diethyl 3,5-Dimethoxybenzylphosphonate
C13H21O5P (288.11265460000004)
5-(t-Butyldimethylsilyloxy)-2,3-difluorophenylboronic acid
3-(3,5-DIMETHOXYBENZYLOXY)PHENYLBORON&
C15H17BO5 (288.11689820000004)
methyl 2-hydroxy-4-[(4-methoxyphenyl)methoxy]benzoate
(2S)-2-acetamido-N-(4-methyl-2-oxochromen-7-yl)propanamide
5-HYDROXY-2-(4-METHYL-PIPERAZINE-1-CARBONYL)-CHROMEN-4-ONE
thiodiethane-1,2-diyl bis(3-aminobut-2-enoate)
C12H20N2O4S (288.11437200000006)
Apaziquone
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
3-(4-methoxyphenyl)-1-(2-naphthyl)-prop-2-en-1-one
PIPERIDINE-4-CARBOXYLIC ACID (4-TRIFLUOROMETHOXY-PHENYL)-AMIDE
N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
5-Formylbenzo[b]thiophene-2-boronic acid pinacol ester
C15H17BO3S (288.0991402000001)
ETHYL 2-AMINO-5-(4-(METHOXYCARBONYL)PHENYL)-1H-PYRROLE-3-CARBOXYLATE
3-(Trifluoromethoxy)phenylboronic acid, pinacol ester
C13H16BF3O3 (288.11445319999996)
ETHYL 1-ALLYL-4-HYDROXY-7-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
2-(4-Fluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)-2-propanol
5-methoxy-N-[(4-methoxyphenyl)methyl]-2-nitroaniline
4,4,5,5-TETRAMETHYL-2-(4-(TRIFLUOROMETHOXY)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O3 (288.11445319999996)
6-(3-(PYRIDIN-2-YL)-1H-PYRAZOL-4-YL)QUINAZOLIN-4-AMINE
4-(3,5-dimethoxybenzyloxy)phenylboronic acid
C15H17BO5 (288.11689820000004)
2-(Trifluoromethoxy)Phenylboronic Acid, Pinacol Ester
C13H16BF3O3 (288.11445319999996)
1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-, hydrochloride (1:2), (4aR,7aR)-
(4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETICACIDETHYLESTER
C14H16N4O3 (288.12223459999996)
2-PIPERIDIN-4-YL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DIHYDROCHLORIDE
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol
C13H16BF3O3 (288.11445319999996)
1,2,3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTURONIC ACID METHYL ESTER
2-(2-fluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol
METHYL 6-METHYL-4-(4-METHYLBENZOYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
5-(4-(TERT-BUTOXYCARBONYL)PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-benzyl-2,7-diaza-spiro[4.4]nonane dihydrochloride
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenol
C13H16BF3O3 (288.11445319999996)
8-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-1,4-DIOXA-8-AZASPIRO[4.5]DECANE
(3,4-DIHYDRO-2H-1-BENZOTHIOPYRAN-4-YL)AMMONIUMCHLORIDE
C13H21O5P (288.11265460000004)
Obidoxime
C14H16N4O3+2 (288.12223459999996)
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002801 - Cholinesterase Reactivators C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D004793 - Enzyme Reactivators
3-[5-(4-Chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine
1-Cyclohexyl-3-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-1-methylthiourea
C12H20N2O2S2 (288.09661400000005)
N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate(2-)
(3S,4R)-7,2-dihydroxy-4-methoxyisoflavanol
A 7,2-dihydroxy-4-methoxyisoflavanol that has 3S,4R configuration.
(1S)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(3-carbamoyloxirane-2-carbonyl)amino]propanoic acid
(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-[(3-carbamoyloxirane-2-carbonyl)amino]propanoate
1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
2-[(1R,3S)-9,10-dihydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
4-Methyl-1-(1,4,5,8-tetrahydroxynaphthalen-2-yl)pent-2-en-1-one
7,2-Dihydroxy-4-methoxyisoflavanol
A member of the class of isoflavans that is isoflavan-4-ol substituted at positions 7 and 2 by hydroxy groups and at position 4 by a methoxy group.
4,5-Diphenyl-1,2-dihydropyrazolo[3,4-c]pyridazin-3-one
Conferol A
A member of the class of isoflavans that is isoflavan with hydroxy substituents at positions 4, 7 and 4 and a methoxy group at position 2 (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay.
3-Deoxysappanol
A homoisoflavonoid that is 3,4-dihydro-2H-1-benzopyran substituted by hydroxy groups at positions 3, 4 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R,4S-stereoisomer). It has been isolated from Caesalpinia sappan.
3-Deoxyepisappanol
A homoisoflavonoid that is 3,4-dihydro-2H-1-benzopyran substituted by hydroxy groups at positions 3, 4 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R,4R-stereoisomer). It has been isolated from Caesalpinia sappan.
(3R)-6-hydroxy-7-methoxy-alpha-dunnione, (-)-
A natural product found in Streptocarpus dunnii.
2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile
(4-Hydroxyphenyl)-(2,4,6-trimethoxyphenyl)methanone
2-[(3,4-Dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
2-[[Oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethylidene]acetohydrazide
7-(4-Methoxyphenyl)-5-methyl-2-(methylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
N-cyclopropyl-2,6-difluoro-N-(2-pyridinylmethyl)benzamide
CLONE_N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine
1-(2,4-Dimethoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)imino]propan-1-one
2-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
[1-(4-Methoxyphenyl)-4-methylpentan-3-yl] hydrogen sulate
C13H20O5S (288.10313900000006)
6-Nitro-3-carbethoxy-2-methyl-1,7-trimethyleneindole
4-Nitro-3-carbethoxy-2-methyl-1,7-trimethyleneindole
Fospropofol
C13H21O5P (288.11265460000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
DMI
The diastereomer of 7,2-dihydroxy-4-methoxyisoflavanol that has 3R,4R-configuration.
N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate(2-)
Dianion of N-succinyl-LL-2,6-diaminopimelic acid having anionic carboxy groups and an ionic primary amino group; major species at pH 7.3.
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxyphenyl)propan-1-one
3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid
3-(2-Hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol
(3R)-7,2-dihydroxy-4-methoxyisoflavanol
A 7,2-dihydroxy-4-methoxyisoflavanol that has R configuration at position 3.
His-Pro (hydrochloride)
His-Pro hydrochloride is a dipeptide consisting of histidyl and proline.
3-[(1r)-1-hydroxyethyl]-5-methoxy-2-(2-oxopropyl)naphthalene-1,4-dione
5,6-dimethoxy-9,10-dihydrophenanthrene-1,4,7-triol
5,8-dihydroxy-6-[(1s)-1-hydroxy-4-methylpent-3-en-1-yl]naphthalene-1,4-dione
1-(2,4-dihydroxy-3-methoxyphenyl)-3-hydroxy-3-phenylpropan-1-one
(2s,3s)-8-hydroxy-3,4',5-trimethyl-3,4-dihydrospiro[cyclohepta[b]pyran-2,2'-furan]-3',7-dione
4,9-dihydroxy-8-(hydroxymethyl)-6-methoxy-3,4-dihydro-2h-anthracen-1-one
7,10-dihydroxy-1,3,8-trimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
5-hydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
7-(3-aminopropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid
C14H16N4O3 (288.12223459999996)
(3r,4s)-4,6,9-trihydroxy-8-methoxy-3-methyl-3,4-dihydro-2h-anthracen-1-one
4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-yl acetate
2-(hydroxymethyl)-5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-4-one
(1r,2s,5s,5's)-4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-yl acetate
2-[3-(2h-1,3-benzodioxol-5-yl)propanoyl]-3-hydroxycyclohex-2-en-1-one
3-(2,6-dihydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-4-methoxybenzoic acid
9-{[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}-2h,3h-furo[3,2-g]chromen-7-one
(2e)-5-[(5r)-5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2-methylpent-2-enal
2-(4-methylpenta-1,3-dien-1-yl)anthracene-9,10-dione
2',3',7-trihydroxy-4'-methoxyisoflavan
{"Ingredient_id": "HBIN003936","Ingredient_name": "2',3',7-trihydroxy-4'-methoxyisoflavan","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "NA","Ingredient_weight": "288.3","OB_score": "NA","CAS_id": "201157-06-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8964","PubChem_id": "NA","DrugBank_id": "NA"}
4-methoxy-6-(11,12-dimethylstyryl)-2-pyrone
{"Ingredient_id": "HBIN010614","Ingredient_name": "4-methoxy-6-(11,12-dimethylstyryl)-2-pyrone","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13912","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-dimethoxyxanthyletin
{"Ingredient_id": "HBIN011345","Ingredient_name": "5,8-dimethoxyxanthyletin","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6299","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxymethyl-6-endo-(3'-methoxy-4'-hydroxyphenyl)-8-oxa-bicyclo[3.2.1]-oct-3-en-2-one
{"Ingredient_id": "HBIN011702","Ingredient_name": "5-hydroxymethyl-6-endo-(3'-methoxy-4'-hydroxyphenyl)-8-oxa-bicyclo[3.2.1]-oct-3-en-2-one","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "COC1=CC(=CC(=C1CCC(=O)C2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15887","TCMID_id": "10488","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxymethyl-6-endo-3'-methoxy-4'-hydroxyphenyl-8-oxa-bicyclo[3,2,1]-oct-3-en-2-one
{"Ingredient_id": "HBIN011703","Ingredient_name": "5-hydroxymethyl-6-endo-3'-methoxy-4'-hydroxyphenyl-8-oxa-bicyclo[3,2,1]-oct-3-en-2-one","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "COC1=C(C=CC(=C1)C2CC3C(=O)C=CC34C2(O4)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aglaidithioduline
C12H20N2O2S2 (288.09661400000005)
{"Ingredient_id": "HBIN014857","Ingredient_name": "aglaidithioduline","Alias": "NA","Ingredient_formula": "C12H20N2O2S2","Ingredient_Smile": "CSC=CC(=O)NCCCCNC(=O)C=CSC","Ingredient_weight": "288.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "736","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10266141","DrugBank_id": "NA"}
(?)-alkannin
{"Ingredient_id": "HBIN015180","Ingredient_name": "(?)-alkannin","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "909","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one
8-amino-3,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1(19),2,7,9(20),11,13(18),14,16-octaen-6-one
5-[2-(3-hydroxyphenyl)ethyl]-7-methoxy-2h-1,3-benzodioxol-4-ol
methyl 3-[4-(hydroxymethyl)phenoxy]-4-methoxybenzoate
(3-methoxyphenyl)methyl 2-hydroxy-6-methoxybenzoate
9-hydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(2s,4s)-2,4,9-trihydroxy-6-methoxy-8-methyl-3,4-dihydro-2h-anthracen-1-one
2-[(2-amino-1-hydroxypropylidene)amino]-3-({hydroxy[3-(c-hydroxycarbonimidoyl)oxiran-2-yl]methylidene}amino)propanoic acid
6,7-dimethoxy-9,10-dihydrophenanthrene-2,3,5-triol
(4s)-4-ethenyl-3-hydroxy-3-[(2z)-3-hydroxy-3-phenylprop-2-enoyl]-4-methyloxolan-2-one
3,6,9-trihydroxy-8-methoxy-3-methyl-2,4-dihydroanthracen-1-one
2-hydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-6,11,13,15-tetraen-5-one
4,6-dimethoxy-9,10-dihydrophenanthrene-2,3,7-triol
4-[(2r)-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
(2e)-4-(5,7-dimethoxy-2-oxochromen-8-yl)-2-methylbut-2-enal
(3s)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-hydroxy-3-phenylpropan-1-one
(1r,3s)-5-hydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
(1s,9r,12r,13s,16s)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7,14-triene-4,11-dione
(5e)-5-ethylidene-8,12-dihydroxy-13-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
(4s)-4,8-dihydroxy-7-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
(2r,3s)-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-3,7-diol
(1s,2s,10r)-2-hydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-6,11,13,15-tetraen-5-one
2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-3,7-diol
(5r,6s)-5,6-dihydroxy-2-methoxy-5-[(1r)-1-phenylprop-2-en-1-yl]cyclohex-2-ene-1,4-dione
4-[(1s)-3-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropyl]benzene-1,3-diol
2-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2h-1-benzopyran-4,5,7-triol
(4s)-4,8-dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
4-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl)-6-methoxybenzene-1,3-diol
ethyl (2e,5e)-7-[(e,e)-benzoyloxy]-4-oxohepta-2,5-dienoate
6-(3,4-dihydroxyphenyl)-2,3,3-trimethyl-2h-furo[3,2-c]pyran-4-one
(4s)-4-hydroxy-9-methoxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
(1r,3s)-9-hydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(2s)-6-(3,4-dihydroxyphenyl)-2,3,3-trimethyl-2h-furo[3,2-c]pyran-4-one
2-hydroxy-4-isopropyl-7-methoxy-6-methyl-5,8-dioxonaphthalene-1-carbaldehyde
4-(7-hydroxy-2-oxochromen-6-yl)-2-methylbut-2-en-1-yl acetate
3-methoxy-5-methylphenyl 2,4-dihydroxy-6-methylbenzoate
(2e)-n-(4-{[(2e)-1-hydroxy-3-(methylsulfanyl)prop-2-en-1-ylidene]amino}butyl)-3-(methylsulfanyl)prop-2-enimidic acid
C12H20N2O2S2 (288.09661400000005)
(2s)-5-hydroxy-6,8-dimethoxy-2-methyl-2h,3h-naphtho[2,3-b]pyran-4-one
5,10-dihydroxy-9-methoxy-1,3-dimethyl-1h,3h-naphtho[2,3-c]pyran-4-one
(5e,7s)-5-ethylidene-8,12-dihydroxy-13-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
2-[(8s)-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl acetate
(1s,2s,4z,5r,5's)-4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-yl acetate
2-[(1e)-4-methylpenta-1,3-dien-1-yl]anthracene-9,10-dione
4-{[(3r)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]methyl}-5-methoxybenzene-1,3-diol
(3r)-3,6,9-trihydroxy-8-methoxy-3-methyl-2,4-dihydroanthracen-1-one
(1r,3r)-5,10-dihydroxy-9-methoxy-1,3-dimethyl-1h,3h-naphtho[2,3-c]pyran-4-one
(3r)-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one
2-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methoxybenzaldehyde
(6s)-7-(3-aminopropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid
C14H16N4O3 (288.12223459999996)
6-[(1e)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
1,12-dimethyl-5,10,14-trioxapentacyclo[7.7.1.0²,⁷.0¹²,¹⁷.0¹³,¹⁵]heptadeca-2,7-diene-4,11-dione
(3s)-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one
2-hydroxy-5-(3-hydroxy-2,5-dimethylphenoxy)-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
(4s)-4,9-dihydroxy-8-(hydroxymethyl)-6-methoxy-3,4-dihydro-2h-anthracen-1-one
5,6-dihydroxy-2-methoxy-5-(1-phenylprop-2-en-1-yl)cyclohex-2-ene-1,4-dione
(3r,4s)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4,7-diol
(1r,3r,4s)-4-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(1r,2s,10r)-2-hydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-6,11,13,15-tetraen-5-one
4,8-dihydroxy-7-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one
4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)methyl]-5-methoxybenzene-1,3-diol
10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,11-diene-7,15-dione
2-(3-hydroxy-5-methoxybenzoyl)-6-methoxy-4-methylphenol
(4as,9as)-1-hydroxy-3,6-dimethoxy-8-methyl-4a,9a-dihydroxanthen-9-one
8-amino-3,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1,7,9(20),10,12,14,16,18-octaen-6-one
(2r)-2-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
3-hydroxy-2,5-dimethylphenyl 2,4-dihydroxy-6-methylbenzoate
3-(1-hydroxyethyl)-5-methoxy-2-(2-oxopropyl)naphthalene-1,4-dione
3-[(2,4-dihydroxy-6-methylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde
(1s,3r)-9-hydroxy-3-(2-hydroxyethyl)-1-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
2-hydroxy-4-isopropyl-3-methoxy-6-methyl-5,8-dioxonaphthalene-1-carbaldehyde
6-(2,3-dihydroxy-3-methylbutyl)furo[3,2-g]chromen-7-one
n-[2,6-dioxo-1-(2-oxo-2-phenylethyl)piperidin-3-yl]ethanimidic acid
5-ethyl-8,11-dihydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,8,10,12-pentaen-2-one
methyl 2-(6-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-2-methylpropanoate
13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7,14-triene-4,11-dione
(1s,2r,4r,10s,14s)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,11-diene-7,15-dione
(4s)-4,9-dihydroxy-6-(hydroxymethyl)-8-methoxy-3,4-dihydro-2h-anthracen-1-one
(7s)-5-ethyl-8,11-dihydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,8,10,12-pentaen-2-one
3-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-6-methoxybenzene-1,2-diol
6-[2-(3-hydroxyphenyl)ethyl]-4-methoxy-2h-1,3-benzodioxol-5-ol
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-({hydroxy[(2r,3r)-3-(c-hydroxycarbonimidoyl)oxiran-2-yl]methylidene}amino)propanoic acid
(1s,9r,12r,13r,15s,17r)-1,12-dimethyl-5,10,14-trioxapentacyclo[7.7.1.0²,⁷.0¹²,¹⁷.0¹³,¹⁵]heptadeca-2,7-diene-4,11-dione
(2s,4r)-2,4,9-trihydroxy-6-methoxy-8-methyl-3,4-dihydro-2h-anthracen-1-one
4-[(2s)-6-hydroxy-7-methoxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzene-1,2-diol
7,8-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol
4-hydroxy-9-methoxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
(2r)-6-hydroxy-7-methoxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
(1r,2s,4e,5s,5's)-4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-yl acetate
4,8-dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
(2r)-2-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
3-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1-benzopyran-3,4,7-triol
(1r)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
2-(4-hydroxyphenyl)ethyl 4-hydroxy-3-methoxybenzoate
3-[(3s)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-6-methoxybenzene-1,2-diol
15-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7,13-triene-4,11-dione
2,4,9-trihydroxy-6-methoxy-8-methyl-3,4-dihydro-2h-anthracen-1-one
6-[(2r)-2,3-dihydroxy-3-methylbutyl]furo[3,2-g]chromen-7-one
n-(4-{[1-hydroxy-3-(methylsulfanyl)prop-2-en-1-ylidene]amino}butyl)-3-(methylsulfanyl)prop-2-enimidic acid
C12H20N2O2S2 (288.09661400000005)