Exact Mass: 388.06637859999995
Exact Mass Matches: 388.06637859999995
Found 437 metabolites which its exact mass value is equals to given mass value 388.06637859999995,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Na-CPT
Camptothecin Sodium is the sodium salt of camptothecin, an alkaloid isolated from the Chinese tree Camptotheca acuminata, with antineoplastic activity. During the S phase of the cell cycle, camptothecin selectively stabilizes topoisomerase I-DNA covalent complexes, thereby inhibiting religation of topoisomerase I-mediated single-strand DNA breaks and producing potentially lethal double-strand DNA breaks when encountered by the DNA replication machinery. The sodium salt of camptothecin is more water-soluble than the parent molecule. (NCI04) Sodium Camptothecin is a plant alkaloid, with antitumor activity. Sodium Camptothecin is a reversible inhibitor of RNA synthesis. Sodium Camptothecin is an effective inhibitor of adenovirus replication. Sodium Camptothecin inhibits DNA synthesis and causes breaks in intracellular preformed viral DNA[1][2].
Betanidin
Minor congener of Betanidin. Isobetanidin is found in root vegetables. Isobetanidin is found in root vegetables. Minor congener of Betanidi
Dopaxanthin quinone
Dopaxanthin quinone is produced by the reaction between dopaxanthin and oxygen, with water as a byproduct. A tyrosinase precursor enzyme catalyzes the reaction. [HMDB] Dopaxanthin quinone is produced by the reaction between dopaxanthin and oxygen, with water as a byproduct. A tyrosinase precursor enzyme catalyzes the reaction.
(1S,5S)-5-Hydroxyaverantin
A tetrahydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1,5-dihydroxyhexyl substituent at position 2 (the 1S,5S-diastereomer).
Penicillin V potassium
C16H17KN2O5S (388.0495212000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Triflupromazine hydrochloride
C18H20ClF3N2S (388.09877460000007)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Oxyquinoline sulfate
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(1S,5R)-5-Hydroxyaverantin
A hydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1,5-dihydroxyhexyl substituent at position 2 (the 1S,5R-diastereomer).
zopiclone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CF - Benzodiazepine related drugs C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3643 CONFIDENCE standard compound; INTERNAL_ID 1579
Demethylnobiletin
Demethylnobiletin is an ether and a member of flavonoids. Demethylnobiletin is a natural product found in Clinopodium dalmaticum, Stachys aegyptiaca, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Isolated from Citrus subspecies, Mentha piperita and Thymus species Demethylnobiletin is found in many foods, some of which are herbs and spices, winter savory, sweet orange, and peppermint. Demethylnobiletin is found in citrus. Demethylnobiletin is isolated from Citrus species, Mentha piperita and Thymus sp. 5-O-Demethylnobiletin (5-Demethylnobiletin), a polymethoxyflavone isolated from Citrus jambhiri Lush., is a direct inhibition of 5-LOX (IC50=0.1 μM), without affecting the expression of COX-2. 5-O-Demethylnobiletin (5-Demethylnobiletin) has anti-inflammatory activity, inhibits leukotriene B (4)(LTB4) formation in rat neutrophils and elastase release in human neutrophils with an IC50 of 0.35 μM[1]. 5-O-Demethylnobiletin (5-Demethylnobiletin), a polymethoxyflavone isolated from Citrus jambhiri Lush., is a direct inhibition of 5-LOX (IC50=0.1 μM), without affecting the expression of COX-2. 5-O-Demethylnobiletin (5-Demethylnobiletin) has anti-inflammatory activity, inhibits leukotriene B (4)(LTB4) formation in rat neutrophils and elastase release in human neutrophils with an IC50 of 0.35 μM[1]. 5-O-Demethylnobiletin (5-Demethylnobiletin), a polymethoxyflavone isolated from Citrus jambhiri Lush., is a direct inhibition of 5-LOX (IC50=0.1 μM), without affecting the expression of COX-2. 5-O-Demethylnobiletin (5-Demethylnobiletin) has anti-inflammatory activity, inhibits leukotriene B (4)(LTB4) formation in rat neutrophils and elastase release in human neutrophils with an IC50 of 0.35 μM[1].
Artemetin
Artemetin is found in common verbena. Artemetin is a constituent of Artemisia species, Kuhnia eupatorioides (preferred genus name Brickellia), Achillea species, Brickellia species and others in the Compositae [CCD] Constituent of Artemisia subspecies, Kuhnia eupatorioides (preferred genus name Brickellia), Achillea subspecies, Brickellia subspecies and others in the Compositae [CCD]. Artemetin is found in common verbena. Artemetin is a member of flavonoids and an ether. Artemetin is a natural product found in Achillea santolina, Psiadia viscosa, and other organisms with data available. Artemitin is a flavonol found in Laggera pterodonta (DC.) Benth., with antioxidative, anti-inflammatory, and antiviral activity[1]. Artemitin is a flavonol found in Laggera pterodonta (DC.) Benth., with antioxidative, anti-inflammatory, and antiviral activity[1].
3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone
3-Hydroxy-4,5,6,7,8-pentamethoxyflavone is a member of flavonoids and an ether. 2-(3-Hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one is a natural product found in Citrus kinokuni, Citrus deliciosa, and other organisms with data available. See also: Tangerine peel (part of). 3-Hydroxy-4,5,6,7,8-pentamethoxyflavone is found in citrus. 3-Hydroxy-4,5,6,7,8-pentamethoxyflavone is a constituent of mandarin orange (Citrus reticulata) Constituent of mandarin orange (Citrus reticulata). 3-Hydroxy-4,5,6,7,8-pentamethoxyflavone is found in citrus. 3'-Demethylnobiletin, a derivative of Nobiletin, is a polymethoxyflavonoid in citrus fruits[1]. Nobiletin exhibits anticancer activity and inhibits tumor angiogenesis by regulating Src, FAK, and STAT3 signaling[2]. 3'-Demethylnobiletin, a derivative of Nobiletin, is a polymethoxyflavonoid in citrus fruits[1]. Nobiletin exhibits anticancer activity and inhibits tumor angiogenesis by regulating Src, FAK, and STAT3 signaling[2].
Eszopiclone
Eszopiclone, marketed by Sepracor under the brand-name Lunesta, is a nonbenzodiazepine hypnotic agent (viz., a sedative) used as a treatment for insomnia. Eszopiclone is the active stereoisomer of zopiclone, and belongs to the class of drugs known as cyclopyrrones. Its main selling point is that it is approved by the U.S. Food and Drug Administration for long-term use, unlike almost all other hypnotic sedatives, which are approved only for the relief of short-term (6-8 weeks) insomnia. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CF - Benzodiazepine related drugs C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
4'-Hydroxy-3',5,6,7,8-pentamethoxyflavone
4-Hydroxy-3,5,6,7,8-pentamethoxyflavone is found in citrus. 4-Hydroxy-3,5,6,7,8-pentamethoxyflavone is a constituent of mandarin orange peel (Citrus reticulata)
2,4,6-Phenanthrenetriol 2-O-b-D-glucoside
2,4,6-Phenanthrenetriol 2-O-b-D-glucoside is found in alcoholic beverages. 2,4,6-Phenanthrenetriol 2-O-b-D-glucoside is isolated from Riesling win Isolated from Riesling wine. 2,4,6-Phenanthrenetriol 2-O-b-D-glucoside is found in alcoholic beverages.
2'-Hydroxy-3,4',5',7,8-pentamethoxyflavone
2-Hydroxy-3,4,5,7,8-pentamethoxyflavone is found in pulses. 2-Hydroxy-3,4,5,7,8-pentamethoxyflavone is a constituent of the leaves of the famine food Parkia clappertoniana
3-(4-hydroxy-3-methoxyphenyl)-1-methoxy-1-oxopropan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
7-Hydroxy-3',4',5,6,8-pentamethoxyflavone
7-Hydroxy-3,4,5,6,8-pentamethoxyflavone is found in citrus. 7-Hydroxy-3,4,5,6,8-pentamethoxyflavone is a constituent of mandarin orange (Citrus reticulata). Constituent of mandarin orange (Citrus reticulata). 7-Hydroxy-3,4,5,6,8-pentamethoxyflavone is found in citrus.
5-Hydroxy-3,3',4',7,8-pentamethoxyflavone
3,3,4,7,8-pentamethylgossypetin, also known as 8-O-methylretusin, is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, 3,3,4,7,8-pentamethylgossypetin is considered to be a flavonoid lipid molecule. 3,3,4,7,8-pentamethylgossypetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3,3,4,7,8-pentamethylgossypetin can be found in sweet orange, which makes 3,3,4,7,8-pentamethylgossypetin a potential biomarker for the consumption of this food product. 5-hydroxy-3,3,4,7,8-pentamethoxyflavone is an orange/orange juice metabolite in urine.
5-Hydroxyauranetin
5-Hydroxyauranetin is found in citrus. 5-Hydroxyauranetin is a constituent of Citrus aurantium (Seville orange). Constituent of Citrus aurantium (Seville orange). 5-Hydroxyauranetin is found in citrus.
Zopiclone
Zopiclone is only found in individuals that have used or taken this drug. It is a novel hypnotic agent used in the treatment of insomnia. Its mechanism of action is based on modulating benzodiazepine receptors. In addition to zopiclones benzodiazepine pharmacological properties it also has some barbiturate like properties. Zopiclone exerts its action by binding on the benzodiazepine receptor complex and modulation of the GABABZ receptor chloride channel macromolecular complex. Both zopiclone and benzodiazepines act indiscriminately at the benzodiazepine binding site on α1, α2, α3 and α5 GABAA containing receptors as full agonists causing an enhancement of the inhibitory actions of GABA to produce the therapeutic (hypnotic and anxiolytic) and adverse effects of zopiclone. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CF - Benzodiazepine related drugs C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate
Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate is found in fats and oils. Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate is a constituent of the seeds of Helianthus annuus (sunflower)
Urolithin B 3-O-glucuronide
Urolithin B 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
2-[4-Acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
C19H17ClN2O3S (388.06483620000006)
10-Chloromethyl-11-demethyl-12-oxo-calanolide A
C21H21ClO5 (388.10774460000005)
[6-(5-Chloropyridin-2-yl)-7-hydroxypyrrolo[3,4-b]pyrazin-5-yl] 4-methylpiperazine-1-carboxylate
2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid
7-Hydroxy-3,3',4',5,6-pentamethoxyflavone
7-hydroxy-3,3,4,5,6-pentamethoxyflavone is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 7-hydroxy-3,3,4,5,6-pentamethoxyflavone is considered to be a flavonoid lipid molecule. 7-hydroxy-3,3,4,5,6-pentamethoxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-hydroxy-3,3,4,5,6-pentamethoxyflavone can be found in common bean, green bean, sweet orange, and yellow wax bean, which makes 7-hydroxy-3,3,4,5,6-pentamethoxyflavone a potential biomarker for the consumption of these food products.
2-hydroxy-3-butenylglucosinolate
C11H18NO10S2 (388.03721079999997)
2-hydroxy-3-butenylglucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 2-hydroxy-3-butenylglucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 2-hydroxy-3-butenylglucosinolate can be found in a number of food items such as wax gourd, sweet marjoram, bamboo shoots, and chicory roots, which makes 2-hydroxy-3-butenylglucosinolate a potential biomarker for the consumption of these food products.
sigmoidin G
A pentahydroxyflavanone that is 2,3,3,4-tetrahydro-2H,4H-[2,6-bichromen]-4-one substituted by hydroxy groups at positions 3, 4, 5, 7, and 8 and by two methyl groups at position 2. It is isolated from the stam bark of Erythrina sigmoidea.
Cyathusal C
An organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 9 and 10, methoxy group at position 8, oxo group at position 1, a propan-2-yloxy group at position 6 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities.
5,7,2,5-Tetrahydroxy-3,4-dimethoxyflavone 5-acetate
5-Hydroxy-7,2,3,4,5-pentamethoxyflavone
Quercetagetin 3,5,6,7,3-pentamethyl ether
7-Hydroxy-3,3',4',5,6-pentamethoxyflavone
7-hydroxy-3,3,4,5,6-pentamethoxyflavone is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 7-hydroxy-3,3,4,5,6-pentamethoxyflavone is considered to be a flavonoid lipid molecule. 7-hydroxy-3,3,4,5,6-pentamethoxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-hydroxy-3,3,4,5,6-pentamethoxyflavone can be found in common bean, green bean, sweet orange, and yellow wax bean, which makes 7-hydroxy-3,3,4,5,6-pentamethoxyflavone a potential biomarker for the consumption of these food products.
Combretol
Combretol is a pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3, 4 and 5 have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare. It has a role as a metabolite, a plant metabolite and an antileishmanial agent. It is a pentamethoxyflavone and a monohydroxyflavone. It is functionally related to a myricetin. Combretol is a natural product found in Aeonium lindleyi, Betula nigra, and Rhodomyrtus tomentosa with data available. A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3, 4 and 5 have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare.
8-C-Methylquercetagetin 3,6,7,4-tetramethyl ether
3-Hydroxy-5,7,3,4,5-pentamethoxyflavone
2-Hydroxy-3,7,8,4,5-pentamethoxyflavone
A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8, 4 and 5 and a hydroxy group at position 2. It has been isolated from Mimosa diplotricha.
Betanidin
D004396 - Coloring Agents > D050859 - Betacyanins D004396 - Coloring Agents > D050858 - Betalains
3,5-Dihydroxy-6,7,8-trimethoxy-3,4-methylenedioxyflavone
8-C-Methylquercetagetin 3,6,7,3-tetramethyl ether
Demethylnobiletin
5-O-Demethylnobiletin (5-Demethylnobiletin), a polymethoxyflavone isolated from Citrus jambhiri Lush., is a direct inhibition of 5-LOX (IC50=0.1 μM), without affecting the expression of COX-2. 5-O-Demethylnobiletin (5-Demethylnobiletin) has anti-inflammatory activity, inhibits leukotriene B (4)(LTB4) formation in rat neutrophils and elastase release in human neutrophils with an IC50 of 0.35 μM[1]. 5-O-Demethylnobiletin (5-Demethylnobiletin), a polymethoxyflavone isolated from Citrus jambhiri Lush., is a direct inhibition of 5-LOX (IC50=0.1 μM), without affecting the expression of COX-2. 5-O-Demethylnobiletin (5-Demethylnobiletin) has anti-inflammatory activity, inhibits leukotriene B (4)(LTB4) formation in rat neutrophils and elastase release in human neutrophils with an IC50 of 0.35 μM[1]. 5-O-Demethylnobiletin (5-Demethylnobiletin), a polymethoxyflavone isolated from Citrus jambhiri Lush., is a direct inhibition of 5-LOX (IC50=0.1 μM), without affecting the expression of COX-2. 5-O-Demethylnobiletin (5-Demethylnobiletin) has anti-inflammatory activity, inhibits leukotriene B (4)(LTB4) formation in rat neutrophils and elastase release in human neutrophils with an IC50 of 0.35 μM[1].
Artemetin
Artemitin is a flavonol found in Laggera pterodonta (DC.) Benth., with antioxidative, anti-inflammatory, and antiviral activity[1]. Artemitin is a flavonol found in Laggera pterodonta (DC.) Benth., with antioxidative, anti-inflammatory, and antiviral activity[1].
2-{[2,2,2-trifluoro-1-[(isopropoxycarbonyl)amino]-1-(trifluoromethyl)ethyl]amino}benzoic acid
C14H14F6N2O4 (388.08577160000004)
2-[(3-Cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide
3,4,6a,12a-Tetrahydro-4a,12b-epoxy-2,3,6a,8,12a-pentahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
(1S,2S,4S,5R,7R,10S,11S,14R,16R,17S,20R,22R)-4,17-dihydroxy-20,22-dimethyl-6,15,19,21-tetraoxaheptacyclo[9.7.2.22,10.03,9.05,7.012,18.014,16]docosa-3(9),12(18)-diene-8,13-dione|Epoxytwinol A|RKB-3564 D|RKB-3564D
erimopyrone|[1R,2S]-1-(6-carboxy-2-oxo-2H-4-pyranyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid
(+)-O1-((1Xi)-trans-2-hydroxy-1,2-dihydro-[1]anthryl)-beta-D-glucopyranuronic acid|(+)-O1-((1Xi)-trans-2-Hydroxy-1,2-dihydro-[1]anthryl)-beta-D-glucopyranuronsaeure|(-)-O1-((1Xi)-trans-2-hydroxy-1,2-dihydro-[1]anthryl)-beta-D-glucopyranuronic acid|(-)-O1-((1Xi)-trans-2-Hydroxy-1,2-dihydro-[1]anthryl)-beta-D-glucopyranuronsaeure
2-bromo-3-chloro-5-acetoxy-chamigra-7(14),9-dien-8-one|4-bromo-3-chloro-3,7,7-trimethyl-10-oxospiro<5.5>undec-8-en-1-yl acetate|4-bromo-3-chloro-3,7,7-trimethyl-10-oxospiro[5.5]undec-8-en-1-yl acetate
C17H22BrClO3 (388.04407520000007)
Salazinic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Origin: Microbe, Carboxylic acids
4-(3-hydroxy-1,2-oxetanyl)-2,2-dihydroxy-4-(2-formyl-1-ethyl)-6,6-dimethoxybiphenyl|mansoxetane
3,6,8-Trimethoxy-5,7-dihydroxy-3,4-methylenedioxyflavone
4,6-Diformyl-3,8-dihydroxy-9-hydroxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-9-hydroxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
(+)-4-acetoxymarilzallene
C17H22BrClO3 (388.04407520000007)
A natural product found in Laurencia marilzae.
2,4,5-trihydroxy-[5-(1,2-dihydroxy-1-methylethyl)-dihydrofurano(2,3:7,8)]-(3R)-isoflavanone
3-Hydroxy-3-(1,3-benzodioxole-5-ylmethyl)-5,6,7-trimethoxy-2H-1-benzopyran-4(3H)-one
8-[2,6-dimethoxy-4-(1,2,3-trihydroxy-propyl)-phenyl]-7-hydroxy benzopyranone
2,6-Pyridinedicarboxylicacid,4-[2-[(2S)-2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-,(2S)-
2alpha-guaicyl-4-oxo-6alpha-catechyl-3,7-dioxabicyclo[3.3.0]octane
15,16-epoxy-20-hydroxyclerodane-13(16),14-diene-17,12S;18,2beta;19,8beta-triolide|bafoudiosbulbin B
3,4,6-trihydroxyphenanthrene-3-O-beta-D-glucopyranoside|3,4,6-Trihydroxyphenanthrene-3-O-??-D-glucopyranoside
(2S)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methylanthraquinone-2-carboxylate
dimethyl ester of (1alpha,2alpha,3alpha,4alpha)-2,4-bis(3,4-dihydroxyphenyl)-1,3-cyclobutanedicarboxylic acid|Dimethyl ester of (1??,2??,3??,4??)-2,4-bis(3,4-dihydroxyphenyl)-1,3-cyclobutanedicarboxylic acid
O1-diphenylacetyl-beta-D-glucopyranuronic acid|O1-Diphenylacetyl-beta-D-glucopyranuronsaeure
1-(6-carboxy-2-oxopyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
3,3-Methylenebis(2-methyl-5-hydroxy-1,4-naphthoquinone)
4-(3-Formyl-2-hydroxy-4-methoxy-6-methyl-benzoyloxy)-2-hydroxy-3,6-dimethyl-benzoesaeure-methylester|4-(3-formyl-2-hydroxy-4-methoxy-6-methyl-benzoyloxy)-2-hydroxy-3,6-dimethyl-benzoic acid methyl ester|atranorin|Baeomycessaeure-methylester|methyl baeomycesate
2,3,5,5,7-Penta-Me ether-2,3,5,5,6,7-Hexahydroxyflavone|6-hydroxy-3,5,7,2,5-pentamethoxyflavone
5-hydroxy-7-methoxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one
OCC(CCO)C1=C(C=2C(C3=C(C=C(C=C3C(C=2C=C1O)=O)OC)OC)=O)O
1,1,4,4-Tetrahydro-1,1,4,4-tetraoxo-3-hydroxy-2,2-binaphthalene-3-carboxylic acid methyl ester
GRADENIN A
Umuhengerin is a natural product found in Gardenia jasminoides, Murraya paniculata, and Lantana trifolia with data available.
methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]benzoate
12A-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid
Gossypetin 3,7,8,3,4-pentamethyl ether
Esopiclone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CF - Benzodiazepine related drugs C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
4-Hydroxy-3,5,6,7,8-pentamethoxyflavone
2'-Hydroxy-3,4',5',7,8-pentamethoxyflavone
Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate
2,4,6-Phenanthrenetriol 2-O-b-D-glucoside
7-Hydroxy-3',4',5,6,8-pentamethoxyflavone
Urolithin B 3-O-glucuronide
Benzyltriphenylphosphonium chloride
C25H22ClP (388.11475720000004)
Pamoic acid
Pamoic acid (Embonic acid) is a potent GPR35 agonist with an EC50 of 79 nM. Pamoic acid exhibits neuroprotective and anti-inflammatory properties[1][2].
3-chloro-2-oxopropyl triphenylphosphonium chloride
Estrone sulfate potassium
C18H21KO5S (388.07467160000004)
Estrone sulfate potassium is a natural endogenous steroid and is an estrogen ester and conjugate[1].
tert-Butyl (3-((2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)carbamate
C16H16ClF3N4O2 (388.09138219999994)
ETHYL 4,6-BIS(4-CHLOROPHENYL)-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE
2-[(4-chloro-2-nitrophenyl)azo]-N-(2,4-dimethylphenyl)-3-oxobutyramide
2-(4-Boc-piperazinyl)-α-(3,4-dichloro-phenyl)acetic acid
(R)-Zopiclone
1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose
C21H21ClO5 (388.10774460000005)
dimethyl 4-[2,6-bis(methoxycarbonyl)pyridin-4-yl]pyridine-2,6-dicarboxylate
tert-butyldiphenylsilyl triflate)
C17H19F3O3SSi (388.07762199999996)
2-(2-anilinovinyl)-3-(2-carboxyethyl)benzoxazolium bromide
5-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,6-naphthyridine
2-(4-Boc-piperazinyl)-α-(2,4-dichloro-phenyl)acetic acid
tert-Butyl 4-(4-iodophenyl)piperazine-1-carboxylate
2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL ISOTHIOCYANATE
2,4,6,8-Tetramethyl-2-(2-(trimethoxysilyl)ethyl)cyclotetrasiloxane
(5R)-5-(Chloromethyl)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-1,3-oxazolidin-2-one
1-butyl-2,3-dimethylimidazolium hexafluoroantimonate
diethyl 4,4-dinitro-[1,1-biphenyl]-2,2-dicarboxylate
6,8-Difluoro-4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
1-Chloro-2-deoxy-3,5-di-O-toluoyl-L-ribose
C21H21ClO5 (388.10774460000005)
5(4H)-Oxazolone,4-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]-2-phenyl-
C20H18Cl2N2O2 (388.07452679999994)
N-Carbobenzyloxy-L-arginine hydrobromide
C14H21BrN4O4 (388.07460860000003)
AZD1981
C19H17ClN2O3S (388.06483620000006)
3-(1h,1h,7h-dodecafluoroheptyloxy)-1,2-epoxypropane
C10H8F12O2 (388.03326519999996)
2-(5-BROMO-2-(2,2,2-TRIFLUOROETHOXY)PHENYL)ADAMANTANE
2-[4-Methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one
2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide
5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide
ethyl 2-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
5-Bromo-N[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide
Eszopiclone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CF - Benzodiazepine related drugs C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Methyl 3,5-dimethoxy-2-(5-methoxy-4-oxo-6-prop-1-enylpyran-3-carbonyl)benzoate
3-[4-(4-Luorophenyl)sulonylpiperazin-1-yl]chromen-4-one
C19H17FN2O4S (388.08930140000007)
2'-Hydroxy-3,4',5',7,8-pentamethoxyflavone
2-Hydroxy-3,4,5,7,8-pentamethoxyflavone is found in pulses. 2-Hydroxy-3,4,5,7,8-pentamethoxyflavone is a constituent of the leaves of the famine food Parkia clappertoniana
2-Methylsulfonylmethyl-3,4,5-triacetoxybenzyl methyl ether
2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid
(S)-2-hydroxy-3-butenyl glucosinolate
C11H18NO10S2- (388.03721079999997)
(R)-2-hydroxy-but3-enyl-glucosinolate
C11H18NO10S2- (388.03721079999997)
(E)-3-[(2R,3R)-3-(dihydroxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
(E)-3-[(2S,3S)-3-(dihydroxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
2-Carboxy-1-[(2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene]-2,3-dihydro-5,6-dihydroxy-1H-indolium hydroxide inner salt
(4E)-4-[2-[1-carboxy-2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
2-hydroxy-3-butenylglucosinolate
C11H18NO10S2- (388.03721079999997)
4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
C17H16N4O3S2 (388.06637859999995)
(2E)-N-({4-[(acetylcarbamothioyl)amino]phenyl}carbamothioyl)-3-(furan-2-yl)prop-2-enamide
C17H16N4O3S2 (388.06637859999995)
6-[(2-methoxyphenyl)methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
1-S-[3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
C11H18NO10S2- (388.03721079999997)
(-)-4-Acetoxymarilzallene, (rel)-
C17H22BrClO3 (388.04407520000007)
A natural product found in Laurencia marilzae.
N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide
N-(2,1,3-benzothiadiazol-4-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydron;chloride
C18H20ClF3N2S (388.09877460000007)
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
Guaiacylglycerol beta-scopoletinyl ether
A guaiacyl lignin that is scopoletin in which the phenolic hydrogen is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana.
3-[[Oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid
C19H20N2O5S (388.10928700000005)
N(6)-carbamoylmethyl-2-deoxyadenosine 5-monophosphate
C12H17N6O7P (388.08963020000004)
A nucleoside monophosphate analogue that is dAMP in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group.
N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide
3-{6-[Methyl-(4-trifluoromethoxy-phenyl)-amino]-pyrimidin-4-yl}-benzamide
N-[2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)-pyridine-3-carboxamide
4-[2-(2,4-Dimethoxyanilino)-2-oxoethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
C19H20N2O5S (388.10928700000005)
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
C19H20N2O5S (388.10928700000005)
1-[(2-Carboxy-3-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
2-Chloro-5-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
C18H14Cl2N4O2 (388.04937639999997)
(R)-2-Hydroxy-3-butenyl glucosinolate
C11H18NO10S2- (388.03721079999997)
4-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
C21H12N2O4S (388.05177520000007)
(17S)-5,13,17-Trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
(1R,5S)-6-(4-chlorophenyl)sulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
C20H21ClN2O2S (388.10121960000004)
trans-Cinnamyl methyl 2-tosylmalonate
C20H20O6S (388.09805400000005)
6-[(3-Bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid
1-S-[(1Z)-N-(sulfonatooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose
1-S-[(1Z)-3-methyl-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
1-S-[(3S)-3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
C11H18NO10S2- (388.03721079999997)
(Z)-4-(1,3-Benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)pent-4-enoic acid
C18H13ClN2O4S (388.0284528000001)
6-[5-(2-Carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2,4-Dihydroxy-5-methoxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2,4-Dihydroxy-3-methoxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-(2-oxo-1,2-diphenylethoxy)oxane-2-carboxylic acid
6-[4-(2-Carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-amino-7-[4-hydroxy-5-(phosphonooxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one
xi-progoitrin(1-)
C11H18NO10S2 (388.03721079999997)
A glucosinolate resulting from the removal of a proton from the oxime hydrogen sulfate moiety of xi-progoitrin.
progoitrin(1-)
C11H18NO10S2 (388.03721079999997)
A xi-progoitrin(1-) that is the conjugate base of progoitrin.
epi-progoitrin(1-)
C11H18NO10S2 (388.03721079999997)
A xi-progoitrin(1-) that is the conjugate base of epi-progoitrin.
2-methylbutylglucosinolate
An alkylglucosinolate that is the conjugate base of 2-methylbutylglucosinolic acid.
pentylglucosinolate
An alkylglucosinolate that is the conjugate base of pentylglucosinolic acid.
1-Phosphatidyl-1D-myo-inositol
C11H17O13P (388.04067620000006)
A phosphatidylinositol in which the inositol moiety is the 1D-myo isomer and the phosphatidyl group is located at its position 1.
S6K1-IN-DG2
C16H17BrN6O (388.06471319999997)
S6K1-IN-DG2 (Compound 66) is a p70S6K inhibitor (IC50: < 100 nM)[1].
SB 204990
SB 204990 is a potent and specific inhibitor of ATP citrate lyase (ACLY) enzyme.
2-(4-hydroxy-3-methoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one
(2r,4r,5r,8r)-4-bromo-2-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-8-ethyl-3,4,5,8-tetrahydro-2h-oxocin-5-yl acetate
C17H22BrClO3 (388.04407520000007)
(2r)-2-carboxy-1-{2-[(2r)-2-carboxy-6-carboxylato-2,3-dihydro-1h-pyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1h-1λ⁵-indol-1-ylium
(6r)-9,10-dihydroxy-6-isopropoxy-8-methoxy-1-oxo-3-[(1e)-prop-1-en-1-yl]-6h-pyrano[4,3-c]isochromene-7-carbaldehyde
(1s,2r,11r,14r,16s,17s)-2,8,11,16,17-pentahydroxy-16-methyl-19-oxapentacyclo[12.4.1.0¹,¹⁴.0²,¹¹.0⁴,⁹]nonadeca-4,6,8,12-tetraene-3,10,18-trione
(1r,3r,4s)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate
C17H22BrClO3 (388.04407520000007)
(1r,4s,7s,9r,10s,12s,15s)-7-(furan-3-yl)-4-hydroxy-6,13,17-trioxapentacyclo[7.6.3.1¹²,¹⁵.0¹,¹⁰.0⁴,⁹]nonadecane-5,14,16-trione
2-(4-hydroxy-3-methoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one
3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
11-chloro-4,9,10,12,12b-pentahydroxy-1,2,10,11,12,12a-hexahydroperylen-3-one
2,8,11,16,17-pentahydroxy-16-methyl-19-oxapentacyclo[12.4.1.0¹,¹⁴.0²,¹¹.0⁴,⁹]nonadeca-4,6,8,12-tetraene-3,10,18-trione
1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4,7-dicarboxylic acid
(1s,3r,4r,6r)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate
C17H22BrClO3 (388.04407520000007)
(1s,2s,3s,6r,7s,8s,9s,10r,12s)-7-[2-(furan-3-yl)-2-oxoethyl]-1-hydroxy-2,7-dimethyl-4,11,14-trioxapentacyclo[7.3.2.1³,⁶.0²,⁸.0¹⁰,¹²]pentadecane-5,13-dione
(2s)-3-(3,4-dihydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(5e)-5-[(6-bromo-1-propanoylindol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one
C17H17BrN4O2 (388.05348019999997)
(1s,2r,4r,14r,16s)-4-hydroxy-16-methyl-6,22-dioxo-3,7,15,21-tetraoxapentacyclo[12.8.0.0¹,¹⁸.0²,¹¹.0⁵,¹⁰]docosa-5(10),11,17-triene-17-carbaldehyde
(17r)-13,17-dihydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
5'-benzyl-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol
(2r,3z,5r,6r,8r)-6-bromo-8-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-2-ethyl-5,6,7,8-tetrahydro-2h-oxocin-5-yl acetate
C17H22BrClO3 (388.04407520000007)
(1r,2r)-1-(6-carboxy-2-oxopyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
6-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁵,¹⁰]tetradecane-7,13-dione
13,17-dihydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
(7as,9s)-2,4,6,7a-tetrahydroxy-5-methoxy-1,8,8,9-tetramethyl-9h-phenaleno[1,2-b]furan-3,7-dione
(3s,4s)-3-hydroxy-4-(4-hydroxy-3-methoxybenzoyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
2-(5-hydroxy-4-keto-3,7-dimethoxy-chromen-2-yl)-3,5-dimethoxy-p-benzoquinone
{"Ingredient_id": "HBIN004681","Ingredient_name": "2-(5-hydroxy-4-keto-3,7-dimethoxy-chromen-2-yl)-3,5-dimethoxy-p-benzoquinone","Alias": "2-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-3,5-dimethoxy-cyclohexa-2,5-diene-1,4-dione; 2-(5-hydroxy-3,7-dimethoxy-4-oxo-chromen-2-yl)-3,5-dimethoxy-1,4-benzoquinone; 2-(5-hydroxy-3,7-dimethoxy-4-oxo-2-chromenyl)-3,5-dimethoxy-1,4-benzoquinone; 2-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione","Ingredient_formula": "C19H16O9","Ingredient_Smile": "NA","Ingredient_weight": "388.32","OB_score": "9.967632099","CAS_id": "149420-75-7","SymMap_id": "SMIT11228","TCMID_id": "NA","TCMSP_id": "MOL010158","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'- o -methylskullcapflavone ii
{"Ingredient_id": "HBIN006257","Ingredient_name": "2'- o -methylskullcapflavone ii","Alias": "NA","Ingredient_formula": "C20H20O8","Ingredient_Smile": "NA","Ingredient_weight": "388.37","OB_score": "NA","CAS_id": "99123-99-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9086","PubChem_id": "NA","DrugBank_id": "NA"}
6-dihydroxy-7-methoxycoumarin
{"Ingredient_id": "HBIN012322","Ingredient_name": "6-dihydroxy-7-methoxycoumarin","Alias": "NA","Ingredient_formula": "C20H20O8","Ingredient_Smile": "COC1=C(C=C2C(=C1)C=CC(=O)O2)OC(CO)C(C3=CC(=C(C=C3)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36400","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8s,8's)-(+)-8-hydroxy-oxomatairesinol
{"Ingredient_id": "HBIN013899","Ingredient_name": "(8s,8's)-(+)-8-hydroxy-oxomatairesinol","Alias": "NA","Ingredient_formula": "C20H20O8","Ingredient_Smile": "COC1=C(C=CC(=C1)CC2(C(COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10573","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9'-(o-methyl)protocetraricacid
{"Ingredient_id": "HBIN014170","Ingredient_name": "9'-(o-methyl)protocetraricacid","Alias": "NA","Ingredient_formula": "C19H16O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14689","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
βetanidin
{"Ingredient_id": "HBIN018102","Ingredient_name": "\u03b2etanidin","Alias": "NA","Ingredient_formula": "C18H16N2O8","Ingredient_Smile": "C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)O)C(=O)[O-])C(=O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2320","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
betanidin
{"Ingredient_id": "HBIN018205","Ingredient_name": "betanidin","Alias": "betanidin radical","Ingredient_formula": "C18H16N2O8","Ingredient_Smile": "C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)O)C(=O)O)C(=O)O)C(=O)O","Ingredient_weight": "388.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18318","TCMID_id": "23207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137218006","DrugBank_id": "NA"}
(1r,2s)-1-(2-carboxy-6-oxopyran-4-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
(1r,15r,23s)-4,9,11,15-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(3r,4s,6s)-4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate
C17H22BrClO3 (388.04407520000007)
(2r)-3-(3,4-dihydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1,2-dimethyl (1r,2r,3s,4s)-3,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,2-dicarboxylate
5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carboxylic acid
4-bromo-3-chloro-3,7,7-trimethyl-11-methylidene-10-oxospiro[5.5]undec-8-en-1-yl acetate
C17H22BrClO3 (388.04407520000007)
7'-chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1h,5'h-[1,1'-binaphthalene]-4,8'-dione
(3s,6e)-3-[(2s)-3,3-dichloro-2-methylpropyl]-6-[(2s)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione
C14H20Cl4N2O2 (388.02788200000003)
6,9,11,14-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one
methyl 6-[(acetyloxy)methyl]-8-hydroxy-2-(methylsulfanyl)-9-oxoxanthene-1-carboxylate
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-3-hydroxyoxolan-2-one
15-formyl-14-hydroxy-6,13-dimethoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-4-carboxylic acid
2-(2h-1,3-benzodioxol-5-yl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one
(1s,4as,7as)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4,7-dicarboxylic acid
(1s,5s,6e,8r,10r)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁵,¹⁰]tetradecane-7,13-dione
methyl 4-(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate
4,9,11,15-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(17s)-4,13-dihydroxy-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
3-[3-(2,3-dihydroxy-3-methylbutyl)-2,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one
(1r,14r,15s,23s)-6,9,11,14-tetrahydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8(24),9,11,16,18,20-nonaen-13-one
2-(2,5-dimethoxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one
9,10-dihydroxy-6-isopropoxy-8-methoxy-1-oxo-3-(prop-1-en-1-yl)-6h-pyrano[4,3-c]isochromene-7-carbaldehyde
(1r)-1-(3,4-dihydroxyphenyl)-3-ethoxy-3-oxopropyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,4s,7s,9s,10s,12s,15s)-7-(furan-3-yl)-4-hydroxy-6,13,17-trioxapentacyclo[7.6.3.1¹²,¹⁵.0¹,¹⁰.0⁴,⁹]nonadecane-5,14,16-trione
8,18-dihydroxy-20-methoxy-6,16-dimethyl-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
2-(2,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
7-(furan-3-yl)-4-hydroxy-6,13,17-trioxapentacyclo[7.6.3.1¹²,¹⁵.0¹,¹⁰.0⁴,⁹]nonadecane-5,14,16-trione
(3s)-3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(10s,11r,12r,12br)-11-chloro-4,9,10,12,12b-pentahydroxy-1,2,10,11,12,12a-hexahydroperylen-3-one
(3r)-3-(2h-1,3-benzodioxol-5-ylmethyl)-3-hydroxy-5,6,7-trimethoxy-2h-1-benzopyran-4-one
(2e)-3-[(2r,3r)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
(3s,3ar,6s,6as)-6-(3,4-dihydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
2,4,6,7-tetrahydroxy-5-methoxy-9-methyl-2-(2-methyl-3-oxobutan-2-yl)phenalene-1,3-dione
2-chloro-7-[(1e)-hex-1-en-1-yl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
2-(2-hydroxy-4,5-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
1-(3,4-dihydroxyphenyl)-3-ethoxy-3-oxopropyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
(17r)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-4,7-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
2-[(4,6-dihydroxyphenanthren-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-3,4,5,7,10-pentol
1,3-dimethyl 2,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,3-dicarboxylate
2-(4-hydroxy-2,5-dimethoxyphenyl)-3,7,8-trimethoxychromen-4-one
2-chloro-7-(hex-1-en-1-yl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione
(3r)-6-(2,6-dihydroxybenzoyl)-7-hydroxy-3-(hydroxymethyl)-2,2,9-trimethyl-3h-1,4-benzodioxepin-5-one
(1s)-1-(3-bromo-4-methoxyphenyl)-2-{[2-(1h-indol-3-yl)ethyl]amino}ethanol
3-hydroxy-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
(1s,4as,7as)-1-{[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4,7-dicarboxylic acid
(1r,2s,5s,7s,8s,10s,13s)-10-(furan-3-yl)-8-(hydroxymethyl)-4,11,14-trioxapentacyclo[11.2.2.1²,⁵.0¹,⁷.0⁸,¹³]octadecane-3,12,15-trione
methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-(prop-1-en-1-yl)pyran-3-carbonyl]benzoate
(3s,6z)-3-[(2s)-3,3-dichloro-2-methylpropyl]-6-[(2s)-3,3-dichloro-2-methylpropylidene]-1,4-dimethylpiperazine-2,5-dione
C14H20Cl4N2O2 (388.02788200000003)
(2r)-1-{5-[(1r)-5,7-dimethoxy-3-oxo-1h-2-benzofuran-1-yl]-4-oxopyran-2-yl}propan-2-yl acetate
(1s,2s,3s,5r,11s,12s,13s,15s)-5-(furan-3-yl)-10,12-dihydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione
(2r)-5,7-dihydroxy-2-[(3r,4s)-3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-2,3-dihydro-1-benzopyran-4-one
(2s)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate
(2s)-4-[(1e)-2-[(2r)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
1-[5-(5,7-dimethoxy-3-oxo-1h-2-benzofuran-1-yl)-4-oxopyran-2-yl]propan-2-yl acetate
methyl 3'-hydroxy-1,1',4,4'-tetraoxo-[2,2'-binaphthalene]-3-carboxylate
(1s,5'r,6'r,7's)-7'-chloro-4',5,5',6'-tetrahydroxy-2,3,6',7'-tetrahydro-1h,5'h-[1,1'-binaphthalene]-4,8'-dione
(2s,3r,4s,5s,6r)-2-[(4,6-dihydroxyphenanthren-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r)-5,6,7-trimethoxy-2-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzopyran-4-one
(1r,2s,3r,5r,10r,11s,12r,13r,15r)-5-(furan-3-yl)-10,12-dihydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione
(2r,5'r,7s,7as)-5'-benzyl-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol
6-(3,4-dihydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
15-formyl-6,14-dihydroxy-7-(methoxymethyl)-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid
(2s,3r,4s,5s,6r)-2-[(4,6-dihydroxyphenanthren-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-8-methylchromen-4-one
(3s)-3-(3,4-dihydroxyphenyl)-3-methoxy-2-oxopropyl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
(5z)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-4-isopropylfuran-2-one
4-hydroxy-16-methyl-6,22-dioxo-3,7,15,21-tetraoxapentacyclo[12.8.0.0¹,¹⁸.0²,¹¹.0⁵,¹⁰]docosa-5(10),11,17-triene-17-carbaldehyde
2-(5-hydroxy-2,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
1,3-dimethyl (1r,2r,3s,4s)-2,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,3-dicarboxylate
(1r,2s,4s,14s,16s)-4-hydroxy-16-methyl-6,22-dioxo-3,7,15,21-tetraoxapentacyclo[12.8.0.0¹,¹⁸.0²,¹¹.0⁵,¹⁰]docosa-5(10),11,17-triene-17-carbaldehyde
2-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate
2-(2,4-dimethoxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
10-(furan-3-yl)-8-(hydroxymethyl)-4,11,14-trioxapentacyclo[11.2.2.1²,⁵.0¹,⁷.0⁸,¹³]octadecane-3,12,15-trione
4,13-dihydroxy-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
(3s,4s)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-3-hydroxyoxolan-2-one
5-hydroxy-3,7-dimethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
(1s,2s,3s,5r,10s,11s,12s,13s,15s)-5-(furan-3-yl)-10,12-dihydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione
(3ar,4r,9r,9ar)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-1-one
3-(3,3-dichloro-2-methylpropyl)-6-(3,3-dichloro-2-methylpropylidene)-1,4-dimethylpiperazine-2,5-dione
C14H20Cl4N2O2 (388.02788200000003)