Exact Mass: 394.10995579999997
Exact Mass Matches: 394.10995579999997
Found 500 metabolites which its exact mass value is equals to given mass value 394.10995579999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rotenone
Rotenone appears as colorless to brownish crystals or a white to brownish-white crystalline powder. Has neither odor nor taste. (NTP, 1992) Rotenone is a member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica). It has a role as a phytogenic insecticide, a mitochondrial NADH:ubiquinone reductase inhibitor, a metabolite, an antineoplastic agent, a toxin and a piscicide. It is an organic heteropentacyclic compound and a member of rotenones. Rotenone is an isoflavone compound that naturally occurs in the jicama vine plant as well as many Fabaceae plants. It has broad spectrum insecticide and pesticide activity and is also toxic to fish. Rotenone is a natural product found in Pachyrhizus erosus, Millettia ferruginea, and other organisms with data available. Rotenone is a naturally occurring organic heteropentacyclic compound and member of rotenones that is found in the roots of several plant species. It is a mitochondrial NADH:ubiquinone reductase inhibitor, toxin, and metabolite, and is used as an antineoplastic agent and insecticide. It is characterized as a colorless to brownish or a white to brownish-white crystalline solid that is odorless. Exposure occurs by inhalation, ingestion, or contact. Rotenone is found in jicama. Rotenone is widely distributed in the Leguminosae (Papilionoideae) e.g. Pachyrrhizus erosus (yam bean).Rotenone is an odorless chemical that is used as a broad-spectrum insecticide, piscicide, and pesticide. It occurs naturally in the roots and stems of several plants such as the jicama vine plant. In mammals, including humans, it is linked to the development of Parkinsons disease. (Wikipedia) Rotenone has been shown to exhibit apoptotic, neuroprotectant and neuroprotective functions (A7776, A7777, A7777).Rotenone belongs to the family of Rotenoids. These are phenolic compounds containing aA cis-fused tetrahydrochromeno[3,4-b]chromenenucleus. Many rotenoids contain an additional ring, e.g rotenone[1]. (Reference: [1] IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook. (PAC, 1995, 67, 1307 (Glossary of class names of organic compounds and reactivity intermediates based on structure (IUPAC Recommendations 1995)) on page 1364)). A botanical insecticide that is an inhibitor of mitochondrial electron transport. Rotenone is found in jicama. Rotenone is widely distributed in the Leguminosae (Papilionoideae) e.g. Pachyrrhizus erosus (yam bean).Rotenone is an odorless chemical that is used as a broad-spectrum insecticide, piscicide, and pesticide. It occurs naturally in the roots and stems of several plants such as the jicama vine plant. In mammals, including humans, it is linked to the development of Parkinsons disease. A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica). Widely distrib. in the Leguminosae (Papilionoideae) e.g. Pachyrrhizus erosus (yam bean) D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Rotenone is a mitochondrial electron transport chain complex I inhibitor. Rotenone induces apoptosis through enhancing mitochondrial reactive oxygen species production. Rotenone is a mitochondrial electron transport chain complex I inhibitor. Rotenone induces apoptosis through enhancing mitochondrial reactive oxygen species production. Rotenone is a mitochondrial electron transport chain complex I inhibitor. Rotenone induces apoptosis through enhancing mitochondrial reactive oxygen species production.
Aloesin
Aloesin is a member of chromones. Aloesin is a natural product found in Aloe africana, Aloe castanea, and other organisms with data available.
Diflufenican
CONFIDENCE standard compound; INTERNAL_ID 594; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5369; ORIGINAL_PRECURSOR_SCAN_NO 5368 CONFIDENCE standard compound; INTERNAL_ID 594; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5367; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 594; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5374; ORIGINAL_PRECURSOR_SCAN_NO 5371 CONFIDENCE standard compound; INTERNAL_ID 594; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5368; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 594; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5376; ORIGINAL_PRECURSOR_SCAN_NO 5375 CONFIDENCE standard compound; INTERNAL_ID 594; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5337; ORIGINAL_PRECURSOR_SCAN_NO 5333 CONFIDENCE standard compound; INTERNAL_ID 4010 CONFIDENCE standard compound; INTERNAL_ID 2315 CONFIDENCE standard compound; INTERNAL_ID 8384
Legumelin
Legumelin, also known as (-)-cis-deguelin, is a member of the class of compounds known as rotenones. Rotenones are rotenoids with a structure based on a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton. Thus, legumelin is considered to be a flavonoid lipid molecule. Legumelin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Legumelin can be found in soy bean, which makes legumelin a potential biomarker for the consumption of this food product. Deguelin, a naturally occurring rotenoid, acts as a chemopreventive agent by blocking multiple pathways like PI3K-Akt, IKK-NF-κB, and MAPK-mTOR-survivin-mediated apoptosis. Deguelin binding to Hsp90 leads to a decreased expression of numerous oncogenic proteins, including MEK1/2, Akt, HIF1α, COX-2, and NF-κB. Deguelin, a naturally occurring rotenoid, acts as a chemopreventive agent by blocking multiple pathways like PI3K-Akt, IKK-NF-κB, and MAPK-mTOR-survivin-mediated apoptosis. Deguelin binding to Hsp90 leads to a decreased expression of numerous oncogenic proteins, including MEK1/2, Akt, HIF1α, COX-2, and NF-κB. Deguelin, a naturally occurring rotenoid, acts as a chemopreventive agent by blocking multiple pathways like PI3K-Akt, IKK-NF-κB, and MAPK-mTOR-survivin-mediated apoptosis. Deguelin binding to Hsp90 leads to a decreased expression of numerous oncogenic proteins, including MEK1/2, Akt, HIF1α, COX-2, and NF-κB.
9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione
6-Hydroxymusizin 8-O-b-D-glucopyranoside
6-Hydroxymusizin 8-O-b-D-glucopyranoside is found in green vegetables. 6-Hydroxymusizin 8-O-b-D-glucopyranoside is isolated from the rhubarb Rhei rhizom
9-Hydroxy-4-methoxypsoralen 9-glucoside
9-Hydroxy-4-methoxypsoralen 9-glucoside is found in green vegetables. 9-Hydroxy-4-methoxypsoralen 9-glucoside is a constituent of Apium graveolens. Constituent of Apium graveolens. 9-Hydroxy-4-methoxypsoralen 9-glucoside is found in wild celery and green vegetables.
Aloesone 7-O-glucoside
Aloesone 7-O-glucoside belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-fructose, and L-rhamnose. Aloesone 7-O-glucoside is found in green vegetables. Aloesone 7-O-glucoside is a constituent of Chinese rhubarb (Rheum sp.). Constituent of Chinese rhubarb (Rheum species). 2-Oxoaloesol 7-glucoside is found in green vegetables.
Garcinone B
Constituent of Garcinia mangostana (mangosteen). Garcinone B is found in fruits and purple mangosteen. Garcinone B is found in fruits. Garcinone B is a constituent of Garcinia mangostana (mangosteen)
1-(3-Methyl-2-butenoyl)-6-apiosylglucose
1-(3-Methyl-2-butenoyl)-6-apiosylglucose is found in coffee and coffee products. 1-(3-Methyl-2-butenoyl)-6-apiosylglucose is a constituent of green coffee beans (Coffea arabica). Constituent of green coffee beans (Coffea arabica). 1-(3-Methyl-2-butenoyl)-6-apiosylglucose is found in coffee and coffee products.
1-Hydroxypyrene glucuronide
1-Hydroxypyrene glucuronide belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system
N-Acetylserotonin glucuronide
N-Acetylserotonin glucuronide is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
C471 - Enzyme Inhibitor Setanaxib (GKT137831) is a selective NADPH oxidase (NOX1/4) inhibitor with Kis of 140 and 110 nM, respectively.
2-(7-Chloro-5-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide
9,10-Anthracenedione, 1,5-dihydroxy-3-methyl-8-((2,6,7,7a-tetrahydro-4 H-furo(3,2-c)pyran-4-yl)oxy)-
Aloeresin B
Deguelin
Pyro(l-alpha-aminoadipyl)-L-histidyl-L-thiazolidine-4-carboxamide
C16H22N6O4S (394.14231720000004)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
6-Chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid
6-Hydroxymusizin 8-O-glucoside
6-hydroxymusizin 8-o-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 6-hydroxymusizin 8-o-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxymusizin 8-o-glucoside can be found in garden rhubarb, which makes 6-hydroxymusizin 8-o-glucoside a potential biomarker for the consumption of this food product.
Morusignin J
Deguelin
Deguelin is a rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. It has a role as an apoptosis inducer, an antineoplastic agent, a plant metabolite, an angiogenesis inhibitor, an antiviral agent, a mitochondrial NADH:ubiquinone reductase inhibitor, an anti-inflammatory agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of rotenones, an aromatic ether, an organic heteropentacyclic compound and a diether. Deguelin is a natural product found in Tephrosia vogelii, Derris montana, and other organisms with data available. A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. Deguelin, a naturally occurring rotenoid, acts as a chemopreventive agent by blocking multiple pathways like PI3K-Akt, IKK-NF-κB, and MAPK-mTOR-survivin-mediated apoptosis. Deguelin binding to Hsp90 leads to a decreased expression of numerous oncogenic proteins, including MEK1/2, Akt, HIF1α, COX-2, and NF-κB. Deguelin, a naturally occurring rotenoid, acts as a chemopreventive agent by blocking multiple pathways like PI3K-Akt, IKK-NF-κB, and MAPK-mTOR-survivin-mediated apoptosis. Deguelin binding to Hsp90 leads to a decreased expression of numerous oncogenic proteins, including MEK1/2, Akt, HIF1α, COX-2, and NF-κB. Deguelin, a naturally occurring rotenoid, acts as a chemopreventive agent by blocking multiple pathways like PI3K-Akt, IKK-NF-κB, and MAPK-mTOR-survivin-mediated apoptosis. Deguelin binding to Hsp90 leads to a decreased expression of numerous oncogenic proteins, including MEK1/2, Akt, HIF1α, COX-2, and NF-κB.
1,2,12,12a-Tetrahydro-2-isopropenyl-8,9-dimethoxy-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one
Dehydrodihydrorotenone
2,4,5-Trimethoxy-2,2-dimethylpyrano[5,6:6,7]isoflavone
Millettosin
3,4-Dihydroxy-7-methoxy-8-prenyl-5-(2-hydroxyisopropyl)-[2,3:5,6]furanoflavanone
(E)-3,4-Methylenedioxy-2-methoxy-6,6-dimethylchromeno-[2,3:4,3]-9-methoxychalcone
8-C-Methylvellokaempferol 3,5-dimethyl ether
5,7,10-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
3,4-Methlenedioxy-8-methoxy-5-hydroxy-6,6-dimethylchromeno-[2,3:7,6]-isoflavone
Muxiangrin I
(Z)-3,4-Methylenedioxy-2-methoxy-6,6-dimethylchromeno-[2,3:4,3]-9-methoxychalcone
Purpurin
Purpurin is a naturally occurring organic compound that belongs to the anthraquinone family. It is known for its distinctive red color and is found in various plants, particularly in the bark and roots of certain trees, as well as in some soil bacteria. The compound has a long history of use as a natural dye, especially in ancient times for coloring fabrics and as a component in inks. Chemically, Purpurin is characterized by a structure consisting of three fused benzene rings forming an anthraquinone skeleton, with two carboxylic acid groups attached to two of the benzene rings. This structure is responsible for its color and chemical properties. The presence of the carboxylic acid groups makes Purpurin soluble in alkaline solutions, which is why it was historically used in dyeing processes. In addition to its historical use as a dye, Purpurin has also found applications in modern science. It has been used as a fluorescent marker in biological and medical research due to its ability to absorb light at specific wavelengths and emit fluorescence. This property makes it useful in techniques such as fluorescence microscopy and imaging. Moreover, Purpurin and its derivatives have been studied in the fields of pharmacology and materials science. The compound's unique chemical structure and properties have made it a subject of interest for developing new pharmaceuticals and advanced materials. Its natural occurrence and the potential for sustainable synthesis from plant sources also contribute to its relevance in modern chemistry and related disciplines.
Isorobustin
Robustin
Rotenone
Origin: Plant, Pyrans relative retention time with respect to 9-anthracene Carboxylic Acid is 1.283 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.281 Acquisition and generation of the data is financially supported by the Max-Planck-Society D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals IPB_RECORD: 2241; CONFIDENCE confident structure Rotenone is a mitochondrial electron transport chain complex I inhibitor. Rotenone induces apoptosis through enhancing mitochondrial reactive oxygen species production. Rotenone is a mitochondrial electron transport chain complex I inhibitor. Rotenone induces apoptosis through enhancing mitochondrial reactive oxygen species production. Rotenone is a mitochondrial electron transport chain complex I inhibitor. Rotenone induces apoptosis through enhancing mitochondrial reactive oxygen species production.
1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
Trifloxystrobin CGA 321113
CONFIDENCE standard compound; INTERNAL_ID 2596
Hexsose + C5H10O3, 1phosphate
Annotation level-3
1,6,7-trihydroxy-6,6-dimethyl-2H-pyrano(2,3:3,2)-4-(3-methylbut-2-enyl)xanthone
A member of the class of pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by hydroxy groups at positions 5, 8 and 9, geminal methyl groups at position 2 and a prenyl group at position 12. Isolated from Garcinia lancilimba, it exhibits inhibitory effects on human cancer cell line.
pyromeconic acid 3-O-beta-D-glucopyranoside 6-(O-4-hydroxybenzoate)|pyromeconic acid 3-O-beta-D-glucopyranoside 6-O-(4-hydroxybenzoate)
(+)-purpurin|(+)-Purpurin 2|7a,10,10a-Triepimer -Purpurin+
4,5-dihydro-1,5-dihydroxy-6,6-dimethylpyrano(2,3:6,7)-4,4,5-trimethylfurano(2,3:3,4)xanthone
5,10-dihydroxy-12-((Z)-3-hydroxymethylbut-2-enyl)-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one|garcinexanthone E
5-Acetonyl-6-glucosy-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
5,4,8-trihydroxy-3,3-dimethoxy-8-chloromethylene-7,9-epoxylignan
1,4,6-trihydroxy-5-(1,1-dimethyl-2-propenyl)-6,6-dimethylpyrano[2,3:3,2]xanthone|soulattrin
(+)-(7S,8S)-4-hydroxy-3,3,5-trimethoxy-7,8,9-trinor-8,4-oxyneolignan-7,9-diol-7-oic acid|4-((1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yloxy)-3,5-dimethoxybenzoic acid
3,4,5-trihydroxy-6-methoxy-2-O-alpha-L-arabinosylbenzophenone
7-[4-(4-Hydroxy-4-methyl-5-oxotetrahydrofuran-2-yl)-2,3-dihydroxy-3-methylbutoxy]-8-hydroxy-2H-1-benzopyran-2-one
4,2?,4?trihydroxy-6?-methoxy-3?(2??-hydroxybenzyl)dihydrochalcone
2,3-trans-3,4-trans-5a,6,11a,12-tetrahydro-6,7-dihydroxy-[1]benzopyrano[3,2-b][1]benzopyran-1-carboxylic acid 2,5-epoxy-cyclopent-3-en-1-yl ester
(3S,4R)-4,8,2??5?-tetrahydroxy-6,7,3?,4?-tetramethoxyisoflavan|abruquinone H
2-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-7-hydroxy-4,4-dimethylchromane|4-[3-(3,5-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-4,4-dimethyl-2H-1-benzopyran-2-yl]benzene-1,3-diol|artoxanthochromane
4-(3,4-dimethoxyphenyl)-9-methoxy-6,7-methylenedioxynaphtho[2,3-c]furan-1(3H)-one|Justicidin A|retrochinensinaphthol methyl ether
5-acetonyl-2-methylchromone-7-O-beta-O-glucopyranoside|5-acetonyl-7-beta-D-glucopyranosyloxy-2-methylchromone
10-(1,1-Dimethyl-2-propenyl)-7,9,12-trihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one|macluraxanthone
methyl 5-chloro-4-O-demethylbarbatate|metyl 5-chloro-4-O-demethylbarbatate
5,9,10-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
(E)-3-{2,3-dihydro-2-[2-[(E)-p-coumaroyloxy]-1-methylethyl]-5-benzofuranyl}-2-propenoic acid
5-hydroxy-7-methoxy-8-methyl-3,4-methylenedioxy-5-(3-methyl-but-2-enyl)-3,4-methylenedioxyflavone
1,5,6-trihydroxy-6,6-dimethyl-2H-pyrano(2,3:3,4)-2-(3-methylbut-2-enyl)xanthone
A member of the class of pyranoxanthones that is 3H,7H-pyrano[2,3-c]xanthen-7-one substituted by hydroxy groups at positions 6, 10 and 11, geminal methyl groups at position 3 and a prenyl group at position 5. Isolated from Garcinia lancilimba, it exhibits inhibitory effects on human cancer cell line.
SB 242084
3-(1,3-Benzodioxol-5-yl)-5-hydroxy-8,8-dimethyl-10-methoxy-4H,8H-benzo[1,2-b:5,4-b]dipyran-4-one
justicidins
Justicidin C is a natural product found in Monechma ciliatum and Justicia procumbens with data available.
5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based on: CCMSLIB00000848089]
8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one [IIN-based: Match]
8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000848572]
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]
Ala Ala Cys Met
C14H26N4O5S2 (394.13445459999997)
Ala Ala Met Cys
C14H26N4O5S2 (394.13445459999997)
Ala Cys Ala Met
C14H26N4O5S2 (394.13445459999997)
Ala Cys Cys Val
C14H26N4O5S2 (394.13445459999997)
Ala Cys Asp Ser
Ala Cys Met Ala
C14H26N4O5S2 (394.13445459999997)
Ala Cys Ser Asp
Ala Cys Val Cys
C14H26N4O5S2 (394.13445459999997)
Ala Asp Cys Ser
Ala Asp Ser Cys
Ala Met Ala Cys
C14H26N4O5S2 (394.13445459999997)
Ala Met Cys Ala
C14H26N4O5S2 (394.13445459999997)
Ala Ser Cys Asp
Ala Ser Asp Cys
Ala Val Cys Cys
C14H26N4O5S2 (394.13445459999997)
Cys Ala Ala Met
C14H26N4O5S2 (394.13445459999997)
Cys Ala Cys Val
C14H26N4O5S2 (394.13445459999997)
Cys Ala Asp Ser
Cys Ala Met Ala
C14H26N4O5S2 (394.13445459999997)
Cys Ala Ser Asp
Cys Ala Val Cys
C14H26N4O5S2 (394.13445459999997)
Cys Cys Ala Val
C14H26N4O5S2 (394.13445459999997)
Cys Cys Gly Ile
C14H26N4O5S2 (394.13445459999997)
Cys Cys Gly Leu
C14H26N4O5S2 (394.13445459999997)
Cys Cys Ile Gly
C14H26N4O5S2 (394.13445459999997)
Cys Cys Leu Gly
C14H26N4O5S2 (394.13445459999997)
Cys Cys Val Ala
C14H26N4O5S2 (394.13445459999997)
Cys Asp Ala Ser
Cys Asp Gly Thr
Cys Asp Ser Ala
Cys Asp Thr Gly
Cys Glu Gly Ser
Cys Glu Ser Gly
Cys Gly Cys Ile
C14H26N4O5S2 (394.13445459999997)
Cys Gly Cys Leu
C14H26N4O5S2 (394.13445459999997)
Cys Gly Asp Thr
Cys Gly Glu Ser
Cys Gly Ile Cys
C14H26N4O5S2 (394.13445459999997)
Cys Gly Leu Cys
C14H26N4O5S2 (394.13445459999997)
Cys Gly Ser Glu
Cys Gly Thr Asp
Cys Ile Cys Gly
C14H26N4O5S2 (394.13445459999997)
Cys Ile Gly Cys
C14H26N4O5S2 (394.13445459999997)
Cys Leu Cys Gly
C14H26N4O5S2 (394.13445459999997)
Cys Leu Gly Cys
C14H26N4O5S2 (394.13445459999997)
Cys Met Ala Ala
C14H26N4O5S2 (394.13445459999997)
Cys Ser Ala Asp
Cys Ser Asp Ala
Cys Ser Glu Gly
Cys Ser Gly Glu
Cys Thr Asp Gly
Cys Thr Gly Asp
Cys Val Ala Cys
C14H26N4O5S2 (394.13445459999997)
Cys Val Cys Ala
C14H26N4O5S2 (394.13445459999997)
Asp Ala Cys Ser
Asp Ala Ser Cys
Asp Cys Ala Ser
Asp Cys Gly Thr
Asp Cys Ser Ala
Asp Cys Thr Gly
Asp Phe Gly Gly
Asp Gly Cys Thr
Asp Gly Phe Gly
Asp Gly Gly Phe
Asp Gly Thr Cys
Asp Ser Ala Cys
Asp Ser Cys Ala
Asp Ser Ser Ser
C13H22N4O10 (394.13358719999997)
Asp Thr Cys Gly
Asp Thr Gly Cys
Glu Cys Gly Ser
Glu Cys Ser Gly
Glu Gly Cys Ser
Glu Gly Ser Cys
Glu Ser Cys Gly
Glu Ser Gly Cys
Phe Asp Gly Gly
Phe Gly Asp Gly
Gly Cys Cys Ile
C14H26N4O5S2 (394.13445459999997)
Gly Cys Cys Leu
C14H26N4O5S2 (394.13445459999997)
Gly Cys Asp Thr
Gly Cys Glu Ser
Gly Cys Ile Cys
C14H26N4O5S2 (394.13445459999997)
Gly Cys Leu Cys
C14H26N4O5S2 (394.13445459999997)
Gly Cys Ser Glu
Gly Cys Thr Asp
Gly Asp Cys Thr
Gly Asp Phe Gly
Gly Asp Gly Phe
Gly Asp Thr Cys
Gly Glu Cys Ser
Gly Glu Ser Cys
Gly Phe Asp Gly
Gly Gly Asp Phe
Gly Gly Met Met
C14H26N4O5S2 (394.13445459999997)
Gly Ile Cys Cys
C14H26N4O5S2 (394.13445459999997)
Gly Leu Cys Cys
C14H26N4O5S2 (394.13445459999997)
Gly Met Gly Met
C14H26N4O5S2 (394.13445459999997)
Gly Met Met Gly
C14H26N4O5S2 (394.13445459999997)
Gly Ser Cys Glu
Gly Ser Glu Cys
Gly Thr Cys Asp
Gly Thr Asp Cys
Ile Cys Cys Gly
C14H26N4O5S2 (394.13445459999997)
Ile Cys Gly Cys
C14H26N4O5S2 (394.13445459999997)
Ile Gly Cys Cys
C14H26N4O5S2 (394.13445459999997)
Leu Cys Cys Gly
C14H26N4O5S2 (394.13445459999997)
Leu Cys Gly Cys
C14H26N4O5S2 (394.13445459999997)
Leu Gly Cys Cys
C14H26N4O5S2 (394.13445459999997)
Met Ala Ala Cys
C14H26N4O5S2 (394.13445459999997)
Met Ala Cys Ala
C14H26N4O5S2 (394.13445459999997)
Met Cys Ala Ala
C14H26N4O5S2 (394.13445459999997)
Met Gly Gly Met
C14H26N4O5S2 (394.13445459999997)
Met Gly Met Gly
C14H26N4O5S2 (394.13445459999997)
Met Met Gly Gly
C14H26N4O5S2 (394.13445459999997)
Ser Ala Cys Asp
Ser Ala Asp Cys
Ser Cys Ala Asp
Ser Cys Asp Ala
Ser Cys Glu Gly
Ser Cys Gly Glu
Ser Asp Ala Cys
Ser Asp Cys Ala
Ser Asp Ser Ser
C13H22N4O10 (394.13358719999997)
Ser Glu Cys Gly
Ser Glu Gly Cys
Ser Gly Cys Glu
Ser Gly Glu Cys
Ser Ser Asp Ser
C13H22N4O10 (394.13358719999997)
Ser Ser Ser Asp
C13H22N4O10 (394.13358719999997)
Thr Cys Asp Gly
Thr Cys Gly Asp
Thr Asp Cys Gly
Thr Asp Gly Cys
Thr Gly Cys Asp
Thr Gly Asp Cys
Val Ala Cys Cys
C14H26N4O5S2 (394.13445459999997)
Val Cys Ala Cys
C14H26N4O5S2 (394.13445459999997)
Val Cys Cys Ala
C14H26N4O5S2 (394.13445459999997)
(2S,7aR,10S,10aS)-9,9-Dimethyl-4-oxo-2-phenyl-3,4,7a,9,10,10a-hexahydro-2H-furo[3,2:4,5]furo[2,3-h]chromen-10-yl acetate
Met-His-OH
C16H18N4O6S (394.09470080000006)
garcinone B
MUSIZIN GLUCOSIDE, 6-HYDROXY
10-Iodostearyl carnitine
9-Hydroxy-4-methoxypsoralen 9-glucoside
1-(3-Methyl-2-butenoyl)-6-apiosylglucose
4-O-acetyl-rubiginone D2
Ethyl 4-acetoxy-8-(benzyloxy)-7-methoxy-2-naphthoate
3-indol-1-ylsulfonyl-7-(4-methylpiperazin-1-yl)-1H-indole
2-(4-DIMETHYLAMINOSTYRYL)-3-METHYLBENZOTHIAZOLIUM PERCHLORATE
C18H19ClN2O4S (394.07540040000004)
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carboxylic acid
Gonyautoxin II
From Gonyaulax and Protogonyaulax subspecies Gonyautoxin II is found in mollusks.
4-di-2-asp
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Sivifene
C308 - Immunotherapeutic Agent > C2139 - Immunostimulant
2-Methyl-2-propanyl 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)met hyl]-1-piperazinecarboxylate
2-Chloro-3-phenylsulfonamidopyridine-5-boronic acid pinacol ester
C17H20BClN2O4S (394.09253000000007)
Ethyl2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate
3-[ethyl[3-methyl-4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile
[1,1,4,1',4',1'-Quaterphenyl]-4,4-dicarbonaldehyde
1-(1-(2-(4-CHLOROPHENYL)-2-OXOETHYL)PIPERIDIN-4-YL)-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
Trifloxystrobin acid
SB-242084
SB 242084 is a selective, competitive and high-affinity (pKi=9.0) 5-HT2C receptor antagonist (crosses the blood-brain barrier). SB 242084 increases basal activity of dopaminergic neurons in the ventral tegmental area (VTA) of the midbrain and dopamine release in the vomeronasal nucleus. SB 242084 also increases mitochondrial gene expression and oxidative metabolism via 5-HT2A receptor. SB 242084 has good research potential in the negative symptoms of anxiety, depression and schizophrenia, as well as in acute organ damage[1][2][3].
Imanixil
C17H17F3N6O2 (394.13650179999996)
Imanixil (HOE-402 free base) is an inducer of the LDL receptor (LDLR). Imanixil (HOE-402 free base) is also a potent cholesterol-lowering compound, which inhibits very low density-lipoprotein (VLDL) production, and consequently attenuates atherosclerosis development[1].
2-(4-AMINOPHENYL)-7-(2-MORPHOLIN-4-YL-ETHOXY)IMIDAZO[2,1-B]-[1,3]BENZOTHIAZOLE
6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
Fluacizine
C20H21F3N2OS (394.13266120000003)
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-5-(2-(methylamino)ethyl)-, monohydrochloride
N-{5-acetyl-6-[2-(dimethylamino)vinyl]-2-oxo-2H-pyran-3-yl}-3-(trifluoromethyl)benzenecarboxamide
2-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone
3-(4-Methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
C23H22O4S (394.12387320000005)
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
C19H20Cl2N2O3 (394.08509100000003)
5-[2-Furanyl-[4-(phenylmethyl)-1-piperidinyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
3-(Benzenesulfonyl)-2-imino-1-propyl-5-dipyrido[1,2-d:3,4-f]pyrimidinone
C20H18N4O3S (394.10995579999997)
3-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide
9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione
(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-2-isopropyl-8,9-dimethoxy-, (+)-
N-(3-Cyanophenyl)-2-Methyl-5-(5-Methyl-1,3,4-Oxadiazol-2-Yl)-4-Biphenylcarboxamide
C24H18N4O2 (394.14296879999995)
Dimethyl (1r,4s)-5,6-Bis(4-Hydroxyphenyl)-7-Oxabicyclo[2.2.1]hepta-2,5-Diene-2,3-Dicarboxylate
NSC 362402
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid
Novobiocic acid(1-)
C22H20NO6- (394.12905600000005)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of novobiocic acid.
(19S)-19-ethyl-12,19-dihydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
3,4,5-trimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
(+)-(7S,8S)-4-hydroxy-3,3,5-trimethoxy-8,9-dinor-8,4-oxyneolignan-7,9-diol-7-oic acid
A neolignan isolated from the stems of Sinocalamus affinis.
4-(1,3-dioxo-2-isoindolyl)-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide
C19H14N4O4S (394.07357240000005)
3-[[[1,3-Dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid
methyl 4-chloro-3-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
C18H23ClN4O4 (394.14077480000003)
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide
C19H21F3N4S (394.14389420000003)
4-(3,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-1-piperazinecarbothioamide
N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide
2-Hydroxy-benzoic acid N-[2,4,6-trioxo-1-phenethyl-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester
N-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]benzenesulfonamide
1-Methyl-4-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-2-quinolinone
N-[3-(2-furanylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide
C20H18N4O3S (394.10995579999997)
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone
C18H19FN2O3S2 (394.08210760000003)
N,N-diethyl-2-[(4-fluorophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide
C18H19FN2O3S2 (394.08210760000003)
4-Cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
Pyridin-3-ylmethyl {4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl}carbamate
7-chloro-4-[(2-fluorophenyl)-oxomethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
N-{(E)-[1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzohydrazide
5-[4-[(2-Methyl-4-thiazolyl)methylamino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester
C20H18N4O3S (394.10995579999997)
7-benzyl-1,3-dimethyl-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
4,7-dihydroxy-2,8a,11,11b-tetramethyl-11a,11b-dihydrobenzo[b]cyclopenta[2,3]indeno[4,5-e][1,4]dioxine-6,8,9(8aH)-trione
1,7-dihydroxy-3,8a,11,11b-tetramethyl-11a,11b-dihydrobenzo[b]cyclopenta[2,3]indeno[4,5-e][1,4]dioxine-6,8,9(8aH)-trione
N-[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2-(4-chlorophenoxy)acetamide
C21H15ClN2O4 (394.07203000000004)
[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
[(3aR,4S,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
[(3aS,4R,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
2-(phenylmethylthio)-9-thiophen-2-yl-6,7,8a,9-tetrahydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
C20H18N4OS2 (394.09219779999995)
(2R)-2-(4-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
F-9775A
An organic heteropentacyclic compound and polyketide that is 11a,11b-dihydrobenzo[b]cyclopenta[2,3]indeno[4,5-e][1,4]dioxine-6,8,9(8aH)-trione which is substituted by hydroxy groups at positions 4 and 7, and by methyl groups at the 2, 8a, 11 and 11b positions. A cathepsin K inhibitor, it was first isolated from Paecilomyces carneus and subsequently obtained from Aspergillus nidulans cocultivated with a soil-dwelling actinomycete.
F-9775B
An organic heteropentacyclic compound and polyketide that is 11a,11b-dihydrobenzo[b]cyclopenta[2,3]indeno[4,5-e][1,4]dioxine-6,8,9(8aH)-trione which is substituted by hydroxy groups at positions 1 and 7, and by methyl groups at the 3, 8a, 11 and 11b positions. A cathepsin K inhibitor, it was first isolated from Paecilomyces carneus and subsequently obtained from Aspergillus nidulans cocultivated with a soil-dwelling actinomycete.
ARN19874
C19H14N4O4S (394.07357240000005)
ARN19874 is a selective, reversible uncompetitive N-acylphosphatidylethanolamine phospholipase D (NAPE-PLD) activity inhibitor with an IC50 of ~34 μM[1].
BNC375
BNC375 is a potent, selective, and orally available type I positive allosteric modulator of α7 nAChRs with an EC50 of 1.9 μM. BNC375 exhibits good CNS-agent like properties and clinical candidate potential. [1].
F-15599
C19H21ClF2N4O (394.13718700000004)
F-15599 is a highly selective G-protein biased 5-HT1A receptor agonist, with Ki of 3.4 nM.
Lorediplon
Lorediplon is a novel non-benzodiazepine drug acting as a GABAA receptor modulator, differentially active at the alpha1-subunit, associated with promoting sleep. Target: GABA Lorediplon is a drug for the treatment of insomnia, has been successfully completed with a best-in-class efficacy profile in terms of maintaining sleep and sleep quality, Lorediplon targets GABAA. [1] Lorediplon demonstrates a minimum of 10-fold and 6-fold increase in potency (respectively) in the spontaneous motor activation studies. At concentrations of 1.2mg/kg, Lorediplon demonstrates a 57\%increased effect on Slow Wave Sleep (SWS), when compared with a placebo.[2]
Rhosin (hydrochloride)
Rhosin hydrochloride is a potent, specific RhoA subfamily Rho GTPases inhibitor. Rhosin hydrochloride specifically binds to RhoA to inhibit RhoA-GEF interaction with a Kd of ~ 0.4 uM, and does not interact with Cdc42 or Rac1, nor the GEF, LARG. Rhosin hydrochloride induces cell apoptosis[1][2]. Rhosin hydrochloride promotes stress resiliency through enhancing D1-MSN plasticity and reducing hyperexcitability[3].