Exact Mass: 372.1031
Exact Mass Matches: 372.1031
Found 500 metabolites which its exact mass value is equals to given mass value 372.1031,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tangeritin
Isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutical. Tangeritin is found in many foods, some of which are apple, broccoli, sweet bay, and tea. Tangeritin is found in apple. Tangeritin is isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutica Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor.
Sinensetin
Sinensetin is a pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3 and 4 respectively. It has a role as a plant metabolite. It is functionally related to a flavone. Sinensetin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3 and 4 respectively. Sinensetin is found in citrus. Sinensetin is found in orange peel and other plant sources. Found in orange peel and other plant sources Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties. Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties.
Sesamolinol
Sesamolinol is found in cereals and cereal products. Sesamolinol is isolated from sesame seeds (Sesamum indicum). Isolated from sesame seeds (Sesamum indicum). Sesamolinol is found in cereals and cereal products and sesame.
QUIZALOFOP-ETHYL
CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10197; ORIGINAL_PRECURSOR_SCAN_NO 10195 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10169; ORIGINAL_PRECURSOR_SCAN_NO 10168 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10194; ORIGINAL_PRECURSOR_SCAN_NO 10192 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10142; ORIGINAL_PRECURSOR_SCAN_NO 10140 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10217; ORIGINAL_PRECURSOR_SCAN_NO 10216 ORIGINAL_ACQUISITION_NO 10194; CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 10192 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10226; ORIGINAL_PRECURSOR_SCAN_NO 10224 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Isosinensetin
Isosinensetin is an ether and a member of flavonoids. Isosinensetin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Isolated from Citrus subspecies and the round kumquat (Fortunella japonica). Isosinensetin is found in sweet orange, citrus, and fruits. Isosinensetin is found in citrus. Isosinensetin is isolated from Citrus species and the round kumquat (Fortunella japonica). Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2]. Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2].
Tricetin Pentamethyl Ether
3,4,5,5,7-Pentamethoxyflavone is a natural product found in Ficus maxima, Ficus formosana, and other organisms with data available. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
Oxidihydroartocarpesin
Oxidihydroartocarpesin is found in fruits. Oxidihydroartocarpesin is isolated from Artocarpus heterophyllus (jackfruit). Isolated from Artocarpus heterophyllus (jackfruit). Oxidihydroartocarpesin is found in jackfruit and fruits.
Veranisatin C
Veranisatin C is found in fruits. Veranisatin C is a constituent of Illicium verum (Chinese star anise)
Cyclokievitone hydrate
Cyclokievitone hydrate is found in gram bean. Cyclokievitone hydrate is isolated from Phaseolus mungo (black gram).
Homoeriodictyol 4'-isobutyrate
Homoeriodictyol 4-isobutyrate is found in beverages. Homoeriodictyol 4-isobutyrate is isolated from Eriodictyon californicum (yerba santa). Isolated from Eriodictyon californicum (yerba santa). Homoeriodictyol 4-isobutyrate is found in beverages.
3',4',5',7,8-Pentamethoxyflavone
3,4,5,7,8-Pentamethoxyflavone is found in fruits. 3,4,5,7,8-Pentamethoxyflavone is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 3,4,5,7,8-Pentamethoxyflavone is found in fruits.
Dihydroferulic acid 4-O-glucuronide
Dihydroferulic acid 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3,4',5,6,8-Pentamethoxyflavone
3,4,5,6,8-Pentamethoxyflavone is found in citrus. 3,4,5,6,8-Pentamethoxyflavone is a constituent of Citrus reticulata (mandarin) leaves. Constituent of Citrus reticulata (mandarin) leaves. 3,4,5,6,8-Pentamethoxyflavone is found in citrus.
Pamoic acid
Pamoic acid, also known as pamoate, belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. Pamoic acid is considered to be a practically insoluble (in water) and relatively neutral molecule.
Dihydroisoferulic acid 3-glucuronide
3',4',5',5,7-Pentamethoxyflavone
3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
Glafenine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
Hydroxypioglitazone
C78272 - Agent Affecting Nervous System
Quercetin pentamethyl ether
3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1]. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1].
2-(3,4-Dihydroxyphenyl)-3,5,7-trimethoxy-6,8-dimethylchromen-4-one
7-Oxomatairesinol
7-oxomatairesinol 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. 7-oxomatairesinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-oxomatairesinol can be found in sesame, which makes 7-oxomatairesinol a potential biomarker for the consumption of this food product.
5-Demethoxynobiletin
5-demethoxynobiletin, also known as 34678-pentamethoxyflavone, 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. 5-demethoxynobiletin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5-demethoxynobiletin can be found in winter savory, which makes 5-demethoxynobiletin a potential biomarker for the consumption of this food product.
Tangeritin
Tangeretin is a pentamethoxyflavone flavone with methoxy groups at positions 4, 5, 6 , 7 and 8. It has a role as an antineoplastic agent and a plant metabolite. Tangeretin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutical. Tangeritin is found in many foods, some of which are apple, broccoli, sweet bay, and tea. Tangeritin is found in apple. Tangeritin is isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutica A pentamethoxyflavone flavone with methoxy groups at positions 4, 5, 6 , 7 and 8. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor.
5,7-Dihydroxy-3-(4-hydroxyphenyl)-6-(2,3-dihydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
5,7,3,4-Tetrahydroxy-5-(2-epoxy-3-methylbutyl)isoflavanone
5-Hydroxy-3,4,5-trimethoxy-6,7-methylenedioxyisoflavone
Lophirone I
4-Hydroxy-5,6,7-trimethoxy-3-(3,4-methylenedioxy)phenylcoumarin
7-Hydroxy-3,5,8-trimethoxy-3,4-methylenedioxyflavone
5-Hydroxy-3,7,8-trimethoxy-3,4-methylenedioxyflavone
2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
3,4-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
3,5,7,4-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone
5,4-Dihydroxy-3,7,3-trimethoxy-6,8-dimethylflavone
Noricaritin
Noricaritin is a natural product found in Phellodendron amurense with data available. Noricaritin is a flavonoid sourced from roots of Epimedium brevicornu Maxim. Noricaritin is a flavonoid sourced from roots of Epimedium brevicornu Maxim.
Isosinensetin
Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2]. Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2].
5,7,3,4,5-pentamethoxyflavone
3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
Sinensetin
Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties. Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties.
Tangeretin
Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor.
glafenine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
Quercetin pentamethyl ether
3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1]. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1].
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5,5,7-Pentamethoxyflavone
3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
3,6-Bis(3-methoxy-4-hydroxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
5aH-6,11:11,13a-Diepoxy-10,11,12,13-tetrahydro-1,5a,10-trihydroxy-9-methylcyclodeca[b]naphthalene-5,7,14(6H)-trione
(3S,5S,6aS,8S,10aR)-5-(furan-3-yl)-4,5,6,6a,8,9-hexahydro-8-hydroxy-8-methylspiro[furan-3(2H),7,(10H)-[1H]naphtho[1,8a-c]furan]-2,3,10(5H)-trionekinalborin A
(+)-4,5,5,7-tetra-O-methyl-2,3-trans-crombeone|Crombeontetramethylether
(7R,8S,8S)-3,4,3,4-dimethylenedioxy-8,9-dihydroxy-8.8,7-O-9-lignan|dihydropaulowin|mandshuricol A
1,2,3,7,8-Pentamethoxy-6-methylanthracene-9,10-dione
3beta-chloro-8alpha-acetoxy-4alpha,10alpha-dihydroxy-1alpha,2alpha-epoxy-5alpha,7alphaH-guai-11(13)-en-12,6alpha-olide
4,5-[Oxy(3,6-dimethyl-5-methoxy-1,2-phenylene)carbonyloxy]-6-methyl-3,7-dihydroxyisobenzofuran-1(3H)-one
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
2,4,6,beta-tetramethoxy-3,4-methylenedioxychalcone
2(S)-5,7-dihydroxy-[2,2-(3,4-dihydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
9,10-dihydro-6-hydroxy-5,7,8-trimethoxy-9,10-dioxoanthracen-2-yl acetate
5,7,2,4-tetrahydroxy-3-(3-hydroxy-3-methylbutyl)flavone|artotonin B
4-hydroxy-8,3-dimethoxy-6-acrolein-3-ylflavan-3,4-diol|premnol
2alpha,5,7-trihydroxy-3beta-methylchromanone-2-O-beta-D-glucoside|takanechromanone A
(-)-5,4-dihydroxy-7,8-[(3,4-cis-dihydroxy-3,4-dihydro)-2,2-dimethylpyrano]-flavone
1,2,3,5,8-Pentamethoxy-6-methylanthracene-9,10-dione
(-)-rel-(1R,2S)-1-(1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl 4-hydroxy-3-methoxybenzoate|(-)-rel-(7R,8S)-4-hydroxy-3-methoxy-3,4-(methylenedioxy)-7,7-epoxy-7,8-secolignan-7,8-dione|marlignan A|marphenol A
5,7,2,3-tetrahydroxy-2,2-dimethyldihydropyrano[5,6:3,4]isoflavanone|platyisoflavanone D
(2R,3R)-3,5-dihydroxy-7-((E)-4-hydroxy-3-methylbut-2-enyloxy)-2-(4-hydroxyphenyl)chroman-4-one|uguenenprenol
(R)-5-hydroxy-7,2,3,4-tetramethoxyspiro{2H-1-benzopyran-3-(4H)-9-bicyclo[4.2.0]octa-[1,3,5]-triene}-4-one
3-(1,3-Benzodioxole-5-ylmethyl)-5,6,7-trimethoxy-2H-1-benzopyran-4(3H)-one
7S-(3,4-methylenedioxyphenyl)-8R,8S-dimethyl-8R-hydroxyl-7S-hydroxyl-7R-(3,4-methylenedioxyphenyl)-tetrahydrofuran|zuihonin F
abyssinone C
A chromenol that is 2,2-dimethyl-3,4-dihydro-2H-chromene-3,4,8-triol substituted by a 3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl moiety at position 6 (the E-isomer). It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
(1S,10bS)-7,9,10-Trihydroxy-8-(2-hydroxy-1-methylethyl)-3,10b-dimethyl-1H-5-oxaaceanthrylen-4(2H),6(10bH)-dion
(7bbeta,12balpha,14calpha)-1,3,5-trihydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one|ohioensin H
3alpha-chloro-9alpha-acetoxy-4beta,10alpha-dihydroxy-1beta,2beta-epoxy-5alpha,7alphaH-guai-11(13)en-12,6alpha-olide
Hydroxypioglitazone
A member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone. C78272 - Agent Affecting Nervous System
(3AR,4R,5R,6AS)-5-HYDROXY-4-((R,E)-3-HYDROXY-4-(3-(TRIFLUOROMETHYL)-PHENOXY)BUT-1-EN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
2-ETHOXYCARBONYL-2-HYDROXY-5,7-DIMETHOXYISOFLAVANONE
KBio2_004766
Quercetin pentamethyl ether is a natural product found in Melicope subunifoliolata, Bryobium eriaeoides, and other organisms with data available. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1]. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1].
spicatolignan B
(2R,3S)-glycosmisic acid is a member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It is isolated from several plants including spearmint. It has a role as a plant metabolite and a bacterial xenobiotic metabolite. It is functionally related to a ferulic acid. It is a conjugate acid of a glycosmisate. It is an enantiomer of a (2S,3R)-glycosmisic acid. A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It is isolated from several plants including spearmint.
1,3,6,8-tetrahydroxy-2-(1-hydroxyhexyl)anthracene-9,10-dione
[3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
C16H20O10_3-(Benzoyloxy)-2-hydroxypropyl beta-D-glucopyranosiduronic acid
[3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000848340]
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]
[3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone_major
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid_major
Cys Gly Gly His
Cys Gly His Gly
Cys His Gly Gly
Gly Cys Gly His
Gly Cys His Gly
Gly Gly Cys His
Gly Gly His Cys
Gly His Cys Gly
Gly His Gly Cys
His Cys Gly Gly
His Gly Cys Gly
His Gly Gly Cys
5,7,4-Trihydroxy-3-methoxyflavanone 4-O-isobutyrate
Fluprostenol Lactone Diol
Veranisatin C
Cyclokievitone hydrate
Dihydroferulic acid 4-O-glucuronide
3-(Benzoyloxy)-2-hydroxypropyl ?-D-glucopyranosiduronic acid
(2,3-Dimethyl-2,3-oxiranediyl)bis[(4-hydroxy-3-methoxyphenyl)methanone]
11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid
(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythropentonic acid gamma-lactone 3,5-dibenzoate
Oxametacin
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Premarin
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Estrone sulfate, a biologically inactive form of estrogen, is a major circulating plasma estrogen that is converted into the biologically active estrogen, estrone (E1) by steroid sulfatase (STS). Estrone sulfate can be used for the research of breast cancer[1][2].
1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine,dihydrochloride
2-(2-(2-FLUOROPHENYL)-5-HYDROXY-8-METHYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDO)ACETIC ACID
quizalofop-P-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
tert-Butyl 4-(2-bromo-4-fluorobenzyl)piperazine-1-carboxylate
2-(4-BOC-Piperazinomethyl)-1-bromo-3-fluorobenzene
2-[2-(Boc-L-alanyl)aminothaizol-4-yl]-2-methoxyimino acetic acid
8-(4-fluorophenyl)-2-methyl-4,7-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
4-Bromo-2-(4-BOC-piperazinomethyl)-1-fluorobenzene
2(3H)-Benzothiazolone, 3-((4-(2-methyl-1H-imidazo(4,5-C)pyridin-1-yl)phenyl)methyl)-
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL) ethyl-4-(4-ethoxy [1,1-biphenyl]-4-YL)-4-oxobutanoic acid
2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
2-(Benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
N-[(4-methylphenyl)methyl]-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
(2,3-Dimethyloxirane-2,3-diyl)bis((4-hydroxy-3-methoxyphenyl)methanone)
Methyl-2-S-(alpha-D-mannopyranosyl)-2-thio-alpha-D-mannopyranoside
(2s)-1,3-Benzothiazol-2-Yl{2-[(2-Pyridin-3-Ylethyl)amino]pyrimidin-4-Yl}ethanenitrile
Sesamolinol
1,3,6,8-Tetrahydroxy-2-(1-hydroxyhexyl)anthraquinone
deacetylcephalosporin C(1-)
A cephalosporin carboxylic acid anion that is the conjugate base of deacetylcephalosporin C, arising from deprotonation of both carboxy groups and protonation of the amino group; major species at pH 7.3.
Violaceinate
A monocarboxylic acid anion that is the conjugate base of violaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
(2E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
1,3,6,8-tetrahydroxy-2-[(1R)-1-hydroxyhexyl]anthracene-9,10-dione
4-(4-(4-Chlorobenzyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
N-(4-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide
N-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide
N-ethyl-2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2R,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
6-(2,4-Dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
3,4,5-Trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(3-hydroxy-5-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] butanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] pentanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] butanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] pentanoate
QUIZALOFOP-ETHYL
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(2S,3R)-glycosmisic acid
A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
(2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CC-115 (hydrochloride)
CC-115 hydrochloride is a potent and dual DNA-PK and mTOR kinase inhibitor with IC50s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling. CC-115 hydrochloride is a potent and dual DNA-PK and mTOR kinase inhibitor with IC50s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling.
H4R antagonist 3
H4R antagonist 3 (Example 18) is a histamine-4 receptor antagonist with an EC50 of ＜10 mM. H4R antagonist 3 can be used for the research of prevention of inflammatory, autoimmune, allergic, and ocular diseases[1].
Kras4B G12D-IN-1
Kras4B G12D-IN-1 is a Kras4B G12D inhibitor with anticancer effects. Kras4B G12D-IN-1 decreases Kras protein expression in mouse embryonic fibroblasts (MEF) expressing Kras4B G12D (WO2016179558A1, Comp 994566)[1].
(3s,4as,12bs)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydro-6-oxatetraphene-7,12-dione
(1s,2s,3s,5r,11r,12s,13s,15s)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione
(1r,15s,23s)-6,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
ethyl 4,11-dihydroxy-10,12-dimethyl-2,14-dioxo-9-oxatetracyclo[9.3.2.0¹,¹⁰.0³,⁸]hexadeca-3,5,7,12-tetraene-16-carboxylate
3-[3,4-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-6-yl]prop-2-enal
5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione
3-(acetyloxy)-2-methyl-4-{7-oxofuro[3,2-g]chromen-6-yl}butan-2-yl acetate
(7as,9s)-4,6,7a-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9h-phenaleno[1,2-b]furan-3,7-dione
(2s)-2-[(3s)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(2r,3r,4r,5s)-2,3,4,5,7-pentahydroxy-6-oxoheptyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
(3s,4s)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
(2r)-7-hydroxy-2-[2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-2,3-dihydro-1-benzopyran-4-one
5-(furan-3-yl)-3',10'-dimethyl-8',12'-dioxaspiro[oxolane-3,2'-tetracyclo[7.3.1.0¹,⁶.0⁶,¹⁰]tridecane]-2,7',11'-trione
(2s,3s)-5,7-dihydroxy-3-methyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(3s,4'r,5s,8's,10's,12'r)-5-(furan-3-yl)-10'-hydroxy-12'-(hydroxymethyl)-6'-methylidene-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
3,6-bis(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
5-(furan-3-yl)-10'-hydroxy-12'-(hydroxymethyl)-6'-methylidene-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
2-(2h-1,3-benzodioxol-5-yl)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)oxolan-3-ol
4,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
methyl (1s,4ar,7ar)-7-oxo-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
(3z)-3-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
(2s)-7-hydroxy-2-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-2,3-dihydro-1-benzopyran-4-one
(3s)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(4r,11r,12r)-8,11-dihydroxy-12-(4-hydroxyphenyl)-4-(2-hydroxypropan-2-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-10-one
3-(2,10-dihydroxy-5-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl)-3-methoxyprop-2-enoic acid
7-(furan-3-yl)-10-hydroxy-9-methyl-6,13,17-trioxapentacyclo[8.8.0.0¹,¹⁵.0⁴,⁹.0¹²,¹⁴]octadec-3-ene-5,16-dione
(5r,6r)-5-hydroxy-6-methyl-7-oxo-2-[(1e)-prop-1-en-1-yl]-4,5-dihydro-1-benzofuran-6-yl 2,4-dihydroxy-6-methylbenzoate
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
7-{[(2e)-4-[(2s)-4-(hydroxymethyl)-5-oxo-2h-furan-2-yl]-3-methylbut-2-en-1-yl]oxy}-8-methoxychromen-2-one
(7ar,9r)-4,6,7a-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9h-phenaleno[1,2-b]furan-3,7-dione
[(4r)-4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate
5,6,7,3,4-pentamethoxyflavone
{"Ingredient_id": "HBIN011092","Ingredient_name": "5,6,7,3,4-pentamethoxyflavone","Alias": "NA","Ingredient_formula": "C20H20O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40724","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7,8,3',4'-pentamethoxyflavone
{"Ingredient_id": "HBIN012047","Ingredient_name": "6,7,8,3',4'-pentamethoxyflavone","Alias": "NA","Ingredient_formula": "C20H20O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16859","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-caffeoylsedoheptulose
{"Ingredient_id": "HBIN013130","Ingredient_name": "7-caffeoylsedoheptulose","Alias": "NA","Ingredient_formula": "C16H20O10","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC(C(C(C(C(=O)CO)O)O)O)O)O)O","Ingredient_weight": "372.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2922","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102369742","DrugBank_id": "NA"}
anticancer lignan pmv70p691-124
{"Ingredient_id": "HBIN016348","Ingredient_name": "anticancer lignan pmv70p691-124","Alias": "NA","Ingredient_formula": "C20H20O7","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C3COC(C3C(=O)O2)C4=CC(=C(C=C4)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1425","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
