Exact Mass: 388.115812
Exact Mass Matches: 388.115812
Found 500 metabolites which its exact mass value is equals to given mass value 388.115812,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Geniposide
C17H24O10 (388.13694039999996)
Geniposide is a terpene glycoside. Geniposide is a natural product found in Feretia apodanthera, Gardenia jasminoides, and other organisms with data available. See also: Gardenia jasminoides whole (part of). Origin: Plant; SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids Annotation level-1 Geniposide is an iridoid glucoside extracted from Gardenia jasminoidesEllis fruits; exhibits a varity of biological activities such as anti-diabetic, antioxidative, antiproliferative and neuroprotective activities. Geniposide is an iridoid glucoside extracted from Gardenia jasminoidesEllis fruits; exhibits a varity of biological activities such as anti-diabetic, antioxidative, antiproliferative and neuroprotective activities.
Verbenalin
C17H24O10 (388.13694039999996)
Verbenalin, also known as cornin (glycoside) or cornin iridoid, is a member of the class of compounds known as iridoid o-glycosides. Iridoid o-glycosides are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. Thus, verbenalin is considered to be an isoprenoid lipid molecule. Verbenalin is soluble (in water) and a very weakly acidic compound (based on its pKa). Verbenalin is a bitter tasting compound found in common verbena, which makes verbenalin a potential biomarker for the consumption of this food product. Verbenalin is a chemical compound, classified as an iridoid glucoside, that is found in Verbena officinalis. It is one of the sleep-promoting (soporific) components in Verbena officinalis . Verbenalin is a terpene glycoside. Verbenalin is a natural product found in Symplocos glauca, Cornus kousa, and other organisms with data available. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2]. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2].
secologanin
C17H24O10 (388.13694039999996)
Secologanin is a member of the class of compounds known as terpene glycosides. Terpene glycosides are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Thus, secologanin is considered to be an isoprenoid lipid molecule. Secologanin is soluble (in water) and a very weakly acidic compound (based on its pKa). Secologanin can be found in a number of food items such as oyster mushroom, flaxseed, nectarine, and cereals and cereal products, which makes secologanin a potential biomarker for the consumption of these food products. Secologanin is a secoiridoid monoterpene synthesized from geranyl pyrophosphate in the mevalonate pathway. Secologanin then proceeds with dopamine or tryptamine to form ipecac and terpene indole alkaloids, respectively . Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2]. Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2].
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].
Cetirizine
C21H25ClN2O3 (388.15536099999997)
Cetirizine is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects. Cetirizine hydrochloride is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Cetirizine, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist. Cetirizine marks antiallergic properties and inhibits eosinophil chemotaxis during the allergic response[1][2][3].
Visnadin
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Betanidin
Minor congener of Betanidin. Isobetanidin is found in root vegetables. Isobetanidin is found in root vegetables. Minor congener of Betanidi
Trachelogenin
Trachelogenin is a lignan. Trachelogenin is a natural product found in Volutaria tubuliflora, Ipomoea cairica, and other organisms with data available.
Fructoselysine 6-phosphate
An L-lysine derivative having a 6-phosphofructosyl group attached to the side-chain amino group.
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).
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
(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].
Secologanin
C17H24O10 (388.13694039999996)
(-)-secologanin is an iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). It has a role as a plant metabolite. It is a beta-D-glucoside, a methyl ester, an aldehyde, an enoate ester, a secoiridoid glycoside and a member of pyrans. Secologanin is a natural product found in Lonicera japonica, Symphoricarpos orbiculatus, and other organisms with data available. An iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2]. Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][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
MS 3
MS 3 is found in mushrooms. MS 3 is produced by the mushroom Stereum hirsutum. Production by the mushroom Stereum hirsutum. MS 3 is found in mushrooms.
8-Hydroxy-4'-methoxypinoresinol
Constituent of Olea europaea (olive). 8-Hydroxy-4-methoxypinoresinol is found in many foods, some of which are pomes, olive, fats and oils, and herbs and spices. 8-Hydroxy-4-methoxypinoresinol is found in fats and oils. 8-Hydroxy-4-methoxypinoresinol is a constituent of Olea europaea (olive).
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.
(R)-Heraclenol 2'-(3-methylbutanoate)
(R)-Heraclenol 2-(3-methylbutanoate) is found in fats and oils. (R)-Heraclenol 2-(3-methylbutanoate) is a constituent of Angelica archangelica (angelica). Constituent of Angelica archangelica (angelica). (R)-Heraclenol 2-(3-methylbutanoate) is found in fats and oils, herbs and spices, and green vegetables.
8-Epidiosbulbin E acetate
8-Epidiosbulbin E acetate is found in root vegetables. 8-Epidiosbulbin E acetate is isolated from Dioscorea bulbifera (air potato Isolated from Dioscorea bulbifera (air potato). 8-Epidiosbulbin E acetate is found in root vegetables. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2]. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2].
Edulisin III
Edulisin III is found in green vegetables. Edulisin III is a constituent of Angelica edulis. Constituent of Angelica edulis. Edulisin III is found in green vegetables.
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
Bepotastine
C21H25ClN2O3 (388.15536099999997)
Bepotastine is a non-sedating, selective antagonist of the histamine 1 (H1) receptor. Bepotastine was approved in Japan for use in the treatment of allergic rhinitis and uriticaria/puritus in July 2000 and January 2002, respectively, and is marketed by Tanabe Seiyaku Co., Ltd. under the brand name Talion®. It is currently undergoing trials in the U.S.
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).
Sulfinpyrazone sulfide
Sulfinpyrazone sulfide is a metabolite of sulfinpyrazone. Sulfinpyrazone is a uricosuric medication used to treat gout. It also sometimes is used to reduce platelet aggregation by inhibiting degranulation of platelets which reduces the release of ADP and thromboxane. Like other uricosurics, sulfinpyrazone works by competitively inhibiting uric acid reabsorption in the proximal tubule of the kidney. (Wikipedia)
Levocetirizine
C21H25ClN2O3 (388.15536099999997)
Levocetirizine is a second-generation piperazine H1-antihistamine. It has also been labeled as a third-generation antihistamine because it is developed from a second-generation antihistamine (cetirizine). R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Levocetirizine ((R)-Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
Aranidipine
5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine
Methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
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
Fipexide
C20H21ClN2O4 (388.11897760000005)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Geniposide
C17H24O10 (388.13694039999996)
Medioresinol
2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid
Visnadin
3-O-Methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
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.
Trachelogenin
Trachelogenin is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Trachelogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Trachelogenin can be found in burdock and grape wine, which makes trachelogenin a potential biomarker for the consumption of these food products.
Sargentol
C17H24O10 (388.13694039999996)
beta-HIVS
Beta-hydroxyisovalerylshikonin is a natural product isolated from Lithospermum erythrorhizon, acts as a potent inhibitor of protein tyrosine kinases (PTK), with IC50s of 0.7μM and 1μM for EGFR and v-Src receptor, respectively. Beta-hydroxyisovalerylshikonin is effective against a wide variety of tumor cell lines, and most efficiently induces cell-death in NCI-H522 and DMS114 cells[1]. Beta-hydroxyisovalerylshikonin is a natural product isolated from Lithospermum erythrorhizon, acts as a potent inhibitor of protein tyrosine kinases (PTK), with IC50s of 0.7μM and 1μM for EGFR and v-Src receptor, respectively. Beta-hydroxyisovalerylshikonin is effective against a wide variety of tumor cell lines, and most efficiently induces cell-death in NCI-H522 and DMS114 cells[1].
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.
1-Methyl-3a-(1,1-dimethyl-2-propenyl)-6-bromo-8-(3-methyl-2-butenyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
6-Methoxy-3,4-dehydromurranganon-2-methylbutanoate
2-Glucopyranosyl-7-hydroxy-4-methoxy-9,10-dihydrophenanthrene
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
N-[(4-Chlorobenzoyl)oxy]-3-(cyclopentyloxy)-4-methoxybenzenecarboximidamide
C20H21ClN2O4 (388.11897760000005)
2-[(8S,9R)-9-acetyloxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 3-methylbutanoate
3,4,6a,12a-Tetrahydro-4a,12b-epoxy-2,3,6a,8,12a-pentahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
3beta-(5-acetoxyangeloyloxy)-6-methoxytremetone|3beta-<5-acetoxyangeloyloxy>-6-methoxytremetone
3-(beta-D-glucopyranosyloxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone|3-O-(??-D-Glucopyranosyl)-1-(3,5-dimethoxy-4-hydroxyphenyl)-1-propanone
C17H24O10 (388.13694039999996)
2beta-Acetoxy-4a,7-dihydroxy-1beta-methyl-8-methylen-4aalpha,10beta-gibb-3-en-1alpha,10beta-dicarbonsaeure-1=>4a-lacton|2beta-acetoxy-4a,7-dihydroxy-1beta-methyl-8-methylene-4aalpha,10beta-gibb-3-ene-1alpha,10beta-dicarboxylic acid-1=>4a lactone|3-Ac-Gibberellin A3|3-O-acetylgibberelin A3|gibberellic acid 3-acetate|Gibberellin A3 3-acetate|gibberellin A3-3-acetate|O(2)-Acetyl-gibberellinsaeure
(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
2alpha-(1-Carbomethoxyvinyl)-3alpha-acetoxy-5-(1-tigloyloxyethyl)-2,3-dihydrobenzofuran
(1beta,6alpha,8alpha)-1-(acetyloxy)-8-{[2-(hydroxymethyl)acryloyl]oxy}eudesma-2,4(14),11(13)-trieno-12,6-lactone|1-O-acetylloloanolide B|rel-(3aR,4S,5aRS,9aS,9bR)-6-(acetoxy)-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphto[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(2S,3S)-2-(5-methoxy-3,4-methylenedioxybenzyl)-3-(3,4-methylenedioxybenzyl)butane-1,4-diol|Dihydrotrichostin
(+)-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
2,7-epoxysyringylglycerol-8-O-beta-D-glucopyranoside|cremanthodioside|ficuscarpanoside B
C17H24O10 (388.13694039999996)
5-Allyl-3,8-dihydroxy-1-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]oct-3-en-2-one #
(5Z,6SR,8SR)-5-ethylidene-6-(beta-D-glucopyranosyloxy)-4,5,6,8-tetrahydro-8-methoxy-1H,3H-pyrano[3,4-c]pyran-1-one|swertiajaposide C
C17H24O10 (388.13694039999996)
4-(3-hydroxy-1,2-oxetanyl)-2,2-dihydroxy-4-(2-formyl-1-ethyl)-6,6-dimethoxybiphenyl|mansoxetane
(2R,3R,4aS,6R,7S,8S,8aR)-hexahydro-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-bis(hydroxymethyl)-4aH-pyrano[2,3-b][1,4]dioxine-7,8-diol|7,8-threo-2,8-epoxysyringylglycerol-7-O-alpha-D-glucopyranoside|ericarboside
C17H24O10 (388.13694039999996)
3,6,8-Trimethoxy-5,7-dihydroxy-3,4-methylenedioxyflavone
1,3,3aalpha,4alpha,9,9abeta-hexahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxynaphtho[2,3-c]furan-6-ol|gaultherin D
3,4,7,8-Tetra-Me ether,3-Ac-(2R,3S)-3,3,4,7,8-Pentahydroxyflavan
(+/-)-(2E)-1-[2,4-dihydroxy-3-(2,3-dihydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one|xanthohumol G
(3S*,6R*,7R*)-3,4,5,6,7,8-hexahydro-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-1H-isochromen-6-yl 2,4-dihydroxy-6-methylbenzoate|deacetylisowortmin
2,4,5-trihydroxy-[5-(1,2-dihydroxy-1-methylethyl)-dihydrofurano(2,3:7,8)]-(3R)-isoflavanone
14-chloro-15-hydroxy-vincadifformine
C21H25ClN2O3 (388.15536099999997)
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
7-dehydroxy-6beta-hydroxylgardosidemethyl ester|7-dehydroxyzaluzioside
C17H24O10 (388.13694039999996)
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
(1R,3S,5R,6R,7R,8S)-3-hydroxy-13,14,15-trimethylene-12-oxododecahydroazuleno[6,7-beta]furan-8-yl 17-(acetoxymethyl)acrylate|4-acetyl cynaropicrin
(7S,8R)-9?-methoxydihydroconiferyl alcohol|viterolignan A
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
6-O-acetyl-aucubin|6-O-acetylaucubin
C17H24O10 (388.13694039999996)
(2S)-2,3-dihydroxypropyl 1,6,8-trihydroxy-3-methylanthraquinone-2-carboxylate
(2R,3R)-3-(3,4-dihydroxybenzyl)-2-(3,4,5-trimethoxybenzyl)-butyrolactone|(2R,3R)-5-methoxyguayarol
(-)-isolariciresinol-9-carboxylic acid methyl ester
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
3-acetyl cynaropicrin|8-O-(2-hydroxymethyl-2-propenoyl)-3-acetoxy-4(15),10(14),11(13)-guaiatrien-12,6-olide
6,7-Dimethoxy-8-[1-[(3-methylbutyryl)oxy]-3-methyl-2-oxo-3-butenyl]-2H-1-benzopyran-2-one
COC1=CC(C=CCO)=CC(C=2C(=CC(=CC=2OC)C(O)C2OC2)OC)=C1O
3,3-Methylenebis(2-methyl-5-hydroxy-1,4-naphthoquinone)
2,4,6,2,3,4-hexamethoxychalcone|2,3,4,2,4,6-Hexamethoxychalcone
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
(-)-4-demethyltraxillagenin|(2R,3R)-2-(4-hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3,5-dimethoxybenzyl)butyrolactone|(8R,8R)-4,4-dihydroxy-3,3,5-trimethoxylignano-9,9-lactone|thujaplicatin methyl ether
(2R,3aS,12aR)-3,3a-dihydro-3a-hydroxy-8-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-9-methoxy-10-methylfuro[3,2-d]xanthen-6(2H)-one|paranolin
fipexide
C20H21ClN2O4 (388.11897760000005)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7254; ORIGINAL_PRECURSOR_SCAN_NO 7252 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7270; ORIGINAL_PRECURSOR_SCAN_NO 7268 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7288; ORIGINAL_PRECURSOR_SCAN_NO 7286 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7280; ORIGINAL_PRECURSOR_SCAN_NO 7278 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7292; ORIGINAL_PRECURSOR_SCAN_NO 7290 CONFIDENCE standard compound; INTERNAL_ID 1324; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7301; ORIGINAL_PRECURSOR_SCAN_NO 7299
GRADENIN A
Umuhengerin is a natural product found in Gardenia jasminoides, Murraya paniculata, and Lantana trifolia with data available.
Medioresil
(-)-medioresinol is a lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a lignan, a dimethoxybenzene, a furofuran and a polyphenol. Medioresinol is a natural product found in Catunaregam spinosa, Saussurea medusa, and other organisms with data available. A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the stems of Sinocalamus affinis. Medioresinol is a member of the class of compounds known as furanoid lignans. Furanoid lignans are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. Medioresinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Medioresinol can be found in a number of food items such as garden tomato (variety), common buckwheat, radish (variety), and black elderberry, which makes medioresinol a potential biomarker for the consumption of these food products.
CID 134715250
8-Epidiosbulbin E acetate is an organooxygen compound and an organic heterotricyclic compound. CID 134715250 is a natural product found in Dioscorea bulbifera with data available. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2]. 8-Epidiosbulbin E acetate, a furanoid, is abundant in Dioscorea bulbifera L.. 8-Epidiosbulbin E acetate exhibits broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria. 8-Epidiosbulbin E acetate induces liver injury in mice[1][2].
methyl 3,5-dimethoxy-2-[5-methoxy-4-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]benzoate
[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate
methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
C17H24O10 (388.13694039999996)
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate
Secologanin
C17H24O10 (388.13694039999996)
Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2]. Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2].
C17H24O10_Phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C17H24O10 (388.13694039999996)
C17H24O10_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,7R)
C17H24O10 (388.13694039999996)
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate
Hexose + C11H12O4
C17H24O10 (388.13694039999996)
Annotation level-2 Annotation level-3
Geniposide (Not validated)
C17H24O10 (388.13694039999996)
Annotation level-3
visnadine
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Origin: Plant, Coumarins, Chromans
methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate [IIN-based: Match]
C17H24O10 (388.13694039999996)
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848938]
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based on: CCMSLIB00000848748]
methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate [IIN-based on: CCMSLIB00000848585]
C17H24O10 (388.13694039999996)
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based: Match]
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based: Match]
[2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate [IIN-based: Match]
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848936]
12A-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate_major
2-[(8S,9R)-9-acetyloxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 3-methylbutanoate_major
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate_89.9\\%
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
8-Hydroxy-4'-methoxypinoresinol
8-epidiosbulbin E acetate
2,4,6-Phenanthrenetriol 2-O-b-D-glucoside
MAMSA
(R)-Heraclenol 2'-(3-methylbutanoate)
7-Hydroxy-3',4',5,6,8-pentamethoxyflavone
Urolithin B 3-O-glucuronide
9-Acetyl-O-isovaleroyldihydrooroselol
Benzyltriphenylphosphonium chloride
C25H22ClP (388.11475720000004)
Aranidipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C93038 - Cation Channel Blocker
(E)-1-(3,4-Dimethoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl) phenyl]methanimine
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].
tert-Butyl (3-((2-chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)carbamate
C16H16ClF3N4O2 (388.09138219999994)
5-Isopropyl-3-methyl 2-formyl-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
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)
1,2,4,6-Tetra-O-acetyl-3-O-allyl-beta-D-glucopyranose
C17H24O10 (388.13694039999996)
Sodium 1,4-bis(1,3-dimethylbutyl) sulfonatosuccinate
C16H29NaO7S (388.15316040000005)
3-decyl-3-thiophen-2-yl-2-(2H-thiophen-5-ylidene)thiophene
3-Methyl-1-phenyl-4-pyridin-3-yl-1H-indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one
4,4-Stilbenedicarboxamidine di(beta-hydroxyethanesulfonate)
C18H20N4O4S (388.12052000000006)
R1487
5-chloro-2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,6-naphthyridine
CPI-613
C26170 - Protective Agent > C275 - Antioxidant Devimistat (CPI-613) is a mitochondrial metabolism inhibitor. Devimistat is a lipoic acid antagonist that abrogates mitochondrial energy metabolism to induce apoptosis in various cancer cells[1].
2-(4-Boc-piperazinyl)-α-(2,4-dichloro-phenyl)acetic acid
bis(pentamethylcyclopentadienyl)titanium dichloride
2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL ISOTHIOCYANATE
(5R)-5-(Chloromethyl)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-1,3-oxazolidin-2-one
Ridinilazole
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
diethyl 4,4-dinitro-[1,1-biphenyl]-2,2-dicarboxylate
1-Chloro-2-deoxy-3,5-di-O-toluoyl-L-ribose
C21H21ClO5 (388.10774460000005)
sodium 1,4-diisohexyl 2-sulphosuccinate
C16H29NaO7S (388.15316040000005)
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
C22H17FN4O2 (388.13354739999994)
2-[4-Methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one
2-[(3-Cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acid
2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
C22H20N4O3 (388.15353300000004)
3-[3-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
4-(1,3-Benzodioxol-5-Yloxy)-2-[4-(1h-Imidazol-1-Yl)phenoxy]-6-Methylpyrimidine
4-{[5-(Cyclohexyloxy)[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]amino}benzenesulfonamide
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
Cornin
C17H24O10 (388.13694039999996)
Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2]. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2].
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
9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 3-methylbutanoate
2-Methylsulfonylmethyl-3,4,5-triacetoxybenzyl methyl ether
5'-(1,4-Dihydro-1-methyl-3-pyridinylcarbonyl)-3'-azido-3'-deoxythymidine
2-[(3S,5R)-5-[6-(2,4-Dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid
2-Glutathionyl-2-methylbut-3-enal
C15H22N3O7S- (388.11784020000005)
(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
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
C17H24O10 (388.13694039999996)
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone
C22H20N4O3 (388.15353300000004)
N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamide
C23H20N2O4 (388.14230000000003)
N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide
(E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
C20H24N2O4S (388.14567040000003)
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.
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-furancarboxamide
C22H20N4O3 (388.15353300000004)
3-[[Oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid
C19H20N2O5S (388.10928700000005)
4-[4-Dimethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolyl]morpholine
C19H21N2O5P (388.11880260000004)
2-(2,5-Dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
C23H20N2O4 (388.14230000000003)
4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester
C20H18F2N2O4 (388.12345719999996)
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-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamide
N-(2-furanylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
C23H20N2O4 (388.14230000000003)
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
4-[2-(2,4-Dimethoxyanilino)-2-oxoethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
C19H20N2O5S (388.10928700000005)
2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(6-methyl-2-pyridinyl)acetamide
N-[4-[6-amino-5-cyano-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]phenyl]acetamide
C22H20N4O3 (388.15353300000004)
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
C19H20N2O5S (388.10928700000005)
2-Anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
C23H20N2O4 (388.14230000000003)
4-[(2E)-2-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
C18H20N4O4S (388.12052000000006)
1-[(2-Carboxy-3-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(methoxyacetyl)amino]-l-iditol
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
methyl 2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]acetate
methyl 2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]acetate
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-[(4-fluorophenyl)methyl]acetamide
C17H25FN2O5S (388.14681320000005)
N-[[(2S,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-[(4-fluorophenyl)methyl]acetamide
C17H25FN2O5S (388.14681320000005)
N-[[(2S,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide
C20H24N2O4S (388.14567040000003)
(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-(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
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
[2-(2-Acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbutanoate
methyl (4aR,7S,7aR)-7-methyl-5-oxo-1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
C17H24O10 (388.13694039999996)
Verbenalin
C17H24O10 (388.13694039999996)
Verbenalin is a terpene glycoside. Verbenalin is a natural product found in Symplocos glauca, Cornus kousa, and other organisms with data available. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2]. Verbenalin is Verbena glycoside, with anti-inflammatory, anti-fungal anti-virus activities. Verbenalin can be used for the research of prostatitis. Verbenalin can reduce cerebral ischemia-reperfusion injury[1][2].
Glyo-I
1,2-diphenyl-4-(2-phenylthioethyl)pyrazolidine-3,5-dione
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one
GYKI 53655 (hydrochloride)
C19H21ClN4O3 (388.13021060000005)
GYKI 53655 (LY300168) hydrochloride is an α-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) antagonist.
PQCA
C22H20N4O3 (388.15353300000004)
PQCA is a highly selective and potent muscarinic M1 receptor positive allosteric modulator. PQCA has an EC50 value of 49 nM and 135 nM on rhesus and human M1 receptor, respectively. PQCA is inactive for other muscarinic receptors. PQCA has potential to reduce the cognitive deficits associated with Alzheimer's disease[1][2].
SB 204990
SB 204990 is a potent and specific inhibitor of ATP citrate lyase (ACLY) enzyme.
SSI-4
C19H21ClN4O3 (388.13021060000005)
SSI-4 is an inhibitor of Stearoyl CoA desaturase 1 (SCD1) , which can be modified with 11C, used as a ligand to in vivo small animal PET/CT imaging of SCD1[1].