Exact Mass: 394.1481336
Exact Mass Matches: 394.1481336
Found 324 metabolites which its exact mass value is equals to given mass value 394.1481336,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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.
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.
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.
Loteprednol
C21H27ClO5 (394.15469220000006)
Loteprednol (as Loteprednol Etabonate) is a topical corticoid antiinflammatory. It is used in ophthalmic solution for the treatment of steroid responsive inflammatory conditions of the eye such as allergic conjunctivitis, uveitis, acne rosacea, superficial punctate keratitis, herpes zoster keratitis, iritis, cyclitis, and selected infective conjunctivitides. As a nasal spray, is used for the treatment and management of seasonal allergic rhinitis. S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D018926 - Anti-Allergic Agents
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
4-Hydroxymethyl Ambrisentan
Varespladib methyl
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D064801 - Phospholipase A2 Inhibitors C471 - Enzyme Inhibitor Varespladib methyl (A-002; LY333013) is a selective inhibitor of group II secretory phospholipase A2 (PLA2).
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
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
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.
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.
1,6,7-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.
(+)-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
N-[1-Acetyl-2-(1,3-benzodioxole-5-ylcarbonyl)-3-phenylpyrrolidine-4-yl]acetamide
1,4,6-trihydroxy-5-(1,1-dimethyl-2-propenyl)-6,6-dimethylpyrano[2,3:3,2]xanthone|soulattrin
4,2?,4?trihydroxy-6?-methoxy-3?(2??-hydroxybenzyl)dihydrochalcone
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
9,10,11,12-Tetrahydro-(7S,11Z)-Sclerotiorin
C21H27ClO5 (394.15469220000006)
10-(1,1-Dimethyl-2-propenyl)-7,9,12-trihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one|macluraxanthone
5,9,10-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
methyl 11,12-methylenedioxy-N(1)-decarbomethoxy-Delta14,15-chanofruticosinate|methyl 11,12-methylenedioxy-N-decarbomethoxy-Delta14,15-chanofruticosinate|Methyl 11,12-methylenedioxy-N1-decarbomethoxy-Delta14,15-chanofruticosinate|methyl 11,12-methylenedioxy-N1-decarbomethoxy-Delta14,15chanofruticosinate
(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.
5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
C21H27ClO5_6H-2-Benzopyran-6-one, 8-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-1,7,8,8a-tetrahydro-7-hydroxy-7-methyl-, (7R,8R,8aR)
C21H27ClO5 (394.15469220000006)
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]
Ala Cys Thr Thr
Ala Met Ser Ser
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Phe Gly Asp Gly
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Gly Asp Gly Phe
Gly Phe Asp Gly
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Gly Met Thr Ser
Gly Ser Met Thr
Gly Ser Thr Met
Gly Thr Met Ser
Gly Thr Ser Met
Met Ala Ser Ser
Met Gly Ser Thr
Met Gly Thr Ser
Met Ser Ala Ser
Met Ser Gly Thr
Met Ser Ser Ala
Met Ser Thr Gly
Met Thr Gly Ser
Met Thr Ser Gly
Ser Ala Met Ser
Ser Ala Ser Met
Ser Cys Ser Val
Ser Cys Val Ser
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Ser Gly Thr Met
Ser Met Ala Ser
Ser Met Gly Thr
Ser Met Ser Ala
Ser Met Thr Gly
Ser Ser Ala Met
Ser Ser Cys Val
Ser Ser Met Ala
Ser Ser Val Cys
Ser Thr Gly Met
Ser Thr Met Gly
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(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
loteprednol
C21H27ClO5 (394.15469220000006)
S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D018926 - Anti-Allergic Agents
garcinone B
1-(3-Methyl-2-butenoyl)-6-apiosylglucose
Ethyl 4-acetoxy-8-(benzyloxy)-7-methoxy-2-naphthoate
N-(4-methoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanediamide
3-indol-1-ylsulfonyl-7-(4-methylpiperazin-1-yl)-1H-indole
5-fluoro-o4-(2,4,6-trimethylphenyl)-2-o-methyluridine
1-Piperidineaceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-oxo-(9CI)
2-[4-(2-methylpropyl)phenyl]-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
2-(4-AMINOPHENYL)-7-(2-MORPHOLIN-4-YL-ETHOXY)IMIDAZO[2,1-B]-[1,3]BENZOTHIAZOLE
Hdac inhibitor CHR-3996
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Aminopentamide Sulfate
C19H26N2O5S (394.15623460000006)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether
C21H27ClO5 (394.15469220000006)
2-[[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone
5-[2-Furanyl-[4-(phenylmethyl)-1-piperidinyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
(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)
Varespladib methyl
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D064801 - Phospholipase A2 Inhibitors C471 - Enzyme Inhibitor Varespladib methyl (A-002; LY333013) is a selective inhibitor of group II secretory phospholipase A2 (PLA2).
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)
2-(4-methoxyanilino)-7-oxo-N-(2-oxolanylmethyl)-1-benzopyran-3-carboxamide
1-Methyl-4-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-2-quinolinone
Pyridin-3-ylmethyl {4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl}carbamate
2-[[4-[(1-Methyl-2-oxo-4-quinolinyl)oxy]-1-oxobutyl]amino]benzoic acid methyl ester
3-benzyl-5-(4-hydroxyphenyl)-N-(phenylacetyl)pyrazin-2-aminide
2-pyridin-3-yl-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
A-674563 (hydrochloride)
A-674563 hydrochloride is a potent and selective Akt1 inhibitor with Ki of 11 nM.
5,9,10-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(2s,3r,4s,5s,6r)-2-{[(1r,4r,5r,6s,7r,8s,9s)-4,5-dihydroxy-6-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5,8,9-trihydroxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
7,9,12-trihydroxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(6s)-10,21-dihydroxy-5,5,6,18,18-pentamethyl-2,7,19-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),16-heptaen-12-one
(2s)-7-(4-hydroxyphenyl)-4,6-dimethoxy-9-methyl-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
(2r)-7-(4-hydroxyphenyl)-4,6-dimethoxy-9-methyl-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
2-hydroxy-2-methyl-1-{4-oxo-2-phenyl-8h,9h-furo[2,3-h]chromen-9-yl}propyl acetate
5,12-dihydroxy-2,2,10,10-tetramethyl-3,4-dihydro-1,11,13-trioxapentacen-6-one
6,8,12-trihydroxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)-1,10-dioxatetraphen-5-one
(1r)-2-hydroxy-2-methyl-1-[(9r)-4-oxo-2-phenyl-8h,9h-furo[2,3-h]chromen-9-yl]propyl acetate
(11r)-11-(3,4-dihydroxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,4,6,8-tetraen-13-one
7,9,12-trihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)-1,11-dioxatetracen-6-one
(2r)-6,9,11-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-1,5-dioxatetraphen-10-one
methyl (1r,2r,4r,5r,7r,12s,15s,23r)-4-hydroxy-3-oxo-6-oxa-8,16-diazaoctacyclo[10.10.1.0¹,¹⁵.0²,⁷.0⁴,¹⁵.0⁵,¹².0⁸,²³.0¹⁷,²²]tricosa-17,19,21-triene-16-carboxylate
5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl acetate
C21H27ClO5 (394.15469220000006)
(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3-methylbut-2-enoate
3-[(3,7-dimethyl-6-oxoocta-2,7-dien-1-yl)oxy]-1,7-dihydroxyxanthen-9-one
(7r,8r,8ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl acetate
C21H27ClO5 (394.15469220000006)
6,8,11-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,5-dioxatetraphen-10-one
(1r,14r)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,5,9,11,15(20),16,18-heptaen-13-one
n-[(3s,4s,5s)-1-acetyl-5-(2h-1,3-benzodioxole-5-carbonyl)-4-phenylpyrrolidin-3-yl]ethanimidic acid
3-methylbut-2-enoyl-1-o-β-d-glucopyranosyl-β-d-apiofuranoside
{"Ingredient_id": "HBIN008910","Ingredient_name": "3-methylbut-2-enoyl-1-o-\u03b2-d-glucopyranosyl-\u03b2-d-apiofuranoside","Alias": "NA","Ingredient_formula": "C16H26O11","Ingredient_Smile": "CC(=CC(=O)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,4'-trihydroxy-6-(3,3-dimethylallyloxiranyl-methyl)isoflavone
{"Ingredient_id": "HBIN011218","Ingredient_name": "5,7,4'-trihydroxy-6-(3,3-dimethylallyloxiranyl-methyl)isoflavone","Alias": "NA","Ingredient_formula": "C23H22O6","Ingredient_Smile": "CC(=CCC(C1CO1)C2=C(C3=C(C=C2O)OC=C(C3=O)C4=CC=C(C=C4)O)O)C","Ingredient_weight": "394.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21700","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129716149","DrugBank_id": "NA"}
5,9,10-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
10-hydroxy-7-(2-hydroxypropan-2-yl)-17,17-dimethyl-2,6,18-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,19-heptaen-12-one
(2s)-5,7,10-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-1,11-dioxatetracen-6-one
2-methoxy-5-{7-[(3-methylbut-2-en-1-yl)oxy]-4-oxochromen-3-yl}phenyl acetate
(2s)-6,9,11-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-1,5-dioxatetraphen-10-one
6,8,12-trihydroxy-2,2-dimethyl-9-(3-methylbut-2-en-1-yl)-1,10-dioxatetraphen-5-one
n-[(3s,4s,5r)-1-acetyl-5-(2h-1,3-benzodioxole-5-carbonyl)-4-phenylpyrrolidin-3-yl]ethanimidic acid
methyl (1r,4s,15r,16r,24s)-23-oxo-8,10-dioxa-5,18-diazaheptacyclo[14.5.2.1¹,¹⁵.0⁴,¹⁵.0⁶,¹⁴.0⁷,¹¹.0¹⁸,²⁴]tetracosa-6,11,13,20-tetraene-4-carboxylate
7,9,12-trihydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-1,11-dioxatetracen-6-one
methyl (4s,5s,6s)-5-(hydroxymethyl)-6-methyl-4-{9-methylpyrido[3,4-b]indole-1-carbonyl}-5,6-dihydro-4h-pyran-3-carboxylate
(7r,8r,8as)-5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl acetate
C21H27ClO5 (394.15469220000006)
7,9,12-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl acetate
C21H27ClO5 (394.15469220000006)
3-(3,4-dimethoxyphenyl)-6-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
methyl 23-oxo-8,10-dioxa-5,18-diazaheptacyclo[14.5.2.1¹,¹⁵.0⁴,¹⁵.0⁶,¹⁴.0⁷,¹¹.0¹⁸,²⁴]tetracosa-6,11,13,20-tetraene-4-carboxylate
5,10-dihydroxy-12-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-2,2-dimethyl-1,11-dioxatetracen-6-one
5,10-dihydroxy-12-(4-hydroxy-3-methylbut-2-en-1-yl)-2,2-dimethyl-1,11-dioxatetracen-6-one
6,7,11-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-1,5-dioxatetraphen-10-one
4,4-dimethyl-12-(2,4,5-trimethoxyphenyl)-6,14-dioxatetracyclo[8.4.0.0²,⁷.0³,⁵]tetradeca-1,7,9,12-tetraen-11-one
15-(hepta-1,3,5-trien-1-yl)-13-hydroxy-4-(hydroxymethyl)-9-methyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),12,14-tetraene-8,11-dione
6,8,11-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,10-dioxatetraphen-5-one
(1r,6s,13r)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[3,2-g]chromen-4-one
7-(4-hydroxyphenyl)-4,6-dimethoxy-9-methyl-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
6-(benzoyloxy)-2-[(benzoyloxy)methyl]hexa-2,4-dien-1-yl acetate
5,7,10-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(2-{4-formyl-2-[(2-methylpropanoyl)oxy]phenyl}oxiran-2-yl)methyl 3-phenylprop-2-enoate
7-[(3,7-dimethyl-6-oxoocta-2,7-dien-1-yl)oxy]-1,3-dihydroxyxanthen-9-one
5,8,10-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
7-{[(2e)-3,7-dimethyl-6-oxoocta-2,7-dien-1-yl]oxy}-1,3-dihydroxyxanthen-9-one
7,9,12-trihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)-1,5-dioxatetraphen-10-one
methyl (8r)-8-ethyl-15-methoxy-6-oxo-7-oxa-10,20-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(13),2,4,14,16,18-hexaene-5-carboxylate
7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-n-(2-sulfoethyl)hepta-2,4-dienimidic acid
C19H26N2O5S (394.15623460000006)
5,7,10-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-1,11-dioxatetracen-6-one
5,8,9-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
(1s,11s,12s,22s)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.2¹⁰,¹³.0¹,¹².0⁶,²².0¹⁴,¹⁹]tetracosa-6,10(24),14,16,18-pentaene-20,23-dione
(1s,6s,13r)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
(2s)-4,8,10-trihydroxy-9-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-1h,2h-furo[3,2-a]xanthen-11-one
10,21-dihydroxy-7,8,8,18,18-pentamethyl-2,6,19-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosa-1(21),3,5(9),10,13,15(20),16-heptaen-12-one
(2e,4e,6r)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-n-(2-sulfoethyl)hepta-2,4-dienimidic acid
C19H26N2O5S (394.15623460000006)
5,8,12-trihydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one
7-(1h-indole-3-carbonyl)-n,n-dimethyl-3,5,8,10-tetraazatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁶]hexadeca-1,3,6,9,11,13,15-heptaen-4-amine
C23H18N6O (394.15420179999995)
6,7,11-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,5-dioxatetraphen-10-one
(3s,5r)-4,4-dimethyl-12-(2,4,5-trimethoxyphenyl)-6,14-dioxatetracyclo[8.4.0.0²,⁷.0³,⁵]tetradeca-1,7,9,12-tetraen-11-one
(7s)-10,21-dihydroxy-7,8,8,18,18-pentamethyl-2,6,19-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosa-1(21),3,5(9),10,13,15(20),16-heptaen-12-one
[(2s)-2-{4-formyl-2-[(2-methylpropanoyl)oxy]phenyl}oxiran-2-yl]methyl (2e)-3-phenylprop-2-enoate
(4r,12r,15s,16s)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1(10),2(7),8-trien-15-yl acetate
1-(2h-1,3-benzodioxol-5-yl)-3-methoxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
6,9,11-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-1,5-dioxatetraphen-10-one
6,8,12-trihydroxy-2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-1,10-dioxatetraphen-5-one
(4s,9s)-15-[(1e,3e,5e)-hepta-1,3,5-trien-1-yl]-13-hydroxy-4-(hydroxymethyl)-9-methyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),12,14-tetraene-8,11-dione
7,8,11-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-1,5-dioxatetraphen-10-one
3-{[(2e)-3,7-dimethyl-6-oxoocta-2,7-dien-1-yl]oxy}-1,7-dihydroxyxanthen-9-one
4,8,10-trihydroxy-9-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-1h,2h-furo[3,2-a]xanthen-11-one
(6s)-6-isopropyl-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14(19),15,17-heptaen-12-one
14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1(10),2(7),8-trien-15-yl acetate
10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3,9,11,14,16(21),19-heptaen-2-one
7,8,11-trihydroxy-2,2-dimethyl-9-(3-methylbut-2-en-1-yl)-1,5-dioxatetraphen-10-one
7,8,12-trihydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-1,11-dioxatetracen-6-one
(15e)-6-hydroxy-3-methoxy-12-methyl-15-(3-oxobutan-2-ylidene)-11-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,3,5,7,9,16-hexaene-5-carboxylic acid
(7s)-4,20-dihydroxy-6,6,7,17,17-pentamethyl-8,12,18-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,19-heptaen-2-one
(3r,6r)-5-hydroxy-1-methyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)-6h-pyrazin-2-one
C19H26N2O3S2 (394.13847660000005)
11-(3,4-dihydroxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,4,6,8-tetraen-13-one
(4s,12s,15r,16r)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1(10),2(7),8-trien-15-yl acetate
10,21-dihydroxy-5,5,6,18,18-pentamethyl-2,7,19-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),16-heptaen-12-one
(3r,6r)-5-hydroxy-1-methyl-6-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-bis(methylsulfanyl)-3h-pyrazin-2-one
C19H26N2O3S2 (394.13847660000005)
7,9,12-trihydroxy-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-1,5-dioxatetraphen-10-one
(2e)-1-(2h-1,3-benzodioxol-5-yl)-3-methoxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
7,8,12-trihydroxy-2,2-dimethyl-5-(2-methylbut-3-en-2-yl)-1,6-dioxatetracen-11-one
12-(1h-indole-3-carbonyl)-n14,n14-dimethyl-8,13,15-triazatetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadeca-1,3,5,7,9,11,13-heptaene-10,14-diamine
C23H18N6O (394.15420179999995)
(1r,6r,13r)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
(2z)-1-(2h-1,3-benzodioxol-5-yl)-3-methoxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
(7r,8s,8as)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl acetate
C21H27ClO5 (394.15469220000006)