Exact Mass: 384.0772
Exact Mass Matches: 384.0772
Found 500 metabolites which its exact mass value is equals to given mass value 384.0772,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ticarcillin
Ticarcillin is only found in individuals that have used or taken this drug. It is an antibiotic derived from penicillin similar to carbenicillin in action.Ticarcillins antibiotic properties arise from its ability to prevent cross-linking of peptidoglycan during cell wall synthesis when the bacteria tries to divide, causing death. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
4-Demethyldeoxypodophyllotoxin
1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Hydroxyversicolorone
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 3-oxobutyl group.
Licopyranocoumarin
Licopyranocoumarin is an isoflavonoid and an organic hydroxy compound. Licopyranocoumarin is a natural product found in Glycyrrhiza and Glycyrrhiza uralensis with data available. See also: Glycyrrhiza Glabra (part of). Licopyranocoumarin is found in herbs and spices. Licopyranocoumarin is isolated from Glycyrrhiza sp. Isolated from Glycyrrhiza species Licopyranocoumarin is found in herbs and spices.
(+)-Zeylenol
(+)-Zeylenol is found in herbs and spices. (+)-Zeylenol is a constituent of Piper cubeba (cubeb pepper)
Piperenol B
Piperenol B is found in herbs and spices. Piperenol B is isolated from Piper cubeba (cubeb pepper). Isolated from Piper cubeba (cubeb pepper). Piperenol B is found in herbs and spices.
2-O-Feruloylhydroxycitric acid
2-O-Feruloylhydroxycitric acid is found in cereals and cereal products. 2-O-Feruloylhydroxycitric acid is a constituent of Zea mays (sweet corn). Constituent of Zea mays (sweet corn). 2-O-Feruloylhydroxycitric acid is found in cereals and cereal products, fats and oils, and corn.
Dulxanthone F
Dulxanthone F is found in fruits. Dulxanthone F is a constituent of Garcinia dulcis (mundu) Constituent of Garcinia dulcis (mundu). Dulxanthone F is found in fruits.
Piperenol A
Piperenol A is found in herbs and spices. Piperenol A is isolated from Piper cubeba (cubeb pepper). Isolated from Piper cubeba (cubeb pepper). Piperenol A is found in herbs and spices.
3'-O-Methylgancaonin P
3-O-Methylgancaonin P is found in herbs and spices. 3-O-Methylgancaonin P is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). 3-Methylgancaonin P is found in herbs and spices.
Tomenin
Constituent of Prunus tomentosa (nanking cherry). Tomenin is found in fruits and nanking cherry. Tomenin is found in fruits. Tomenin is a constituent of Prunus tomentosa (nanking cherry).
5-Methoxyhinokinin
5-Methoxyhinokinin is found in herbs and spices. 5-Methoxyhinokinin is isolated from fruits of Piper cubeba (cubeb pepper). Isolated from fruits of Piper cubeba (cubeb pepper). 5-Methoxyhinokinin is found in herbs and spices.
3-O-Methyluralenol
3-O-Methyluralenol is found in herbs and spices. 3-O-Methyluralenol is a constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). 3-O-Methyluralenol is found in herbs and spices.
Eleutheroside B1
Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.
5,6-Dimethoxysterigmatocystin
5,6-Dimethoxysterigmatocystin is a mycotoxin produced by Aspergillus multicolo D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Oxyisocyclointegrin
Oxyisocyclointegrin is found in fruits. Oxyisocyclointegrin is a constituent of heartwood of Artocarpus integer (champedak)
Isolicopyranocoumarin
Isolicopyranocoumarin is found in herbs and spices. Isolicopyranocoumarin is a constituent of Glycyrrhiza sp Constituent of Glycyrrhiza species Isolicopyranocoumarin is found in herbs and spices.
Calebin A
Calebin A is found in herbs and spices. Calebin A is a constituent of the rhizomes of Cucuma longa (turmeric). Constituent of the rhizomes of Cucuma longa (turmeric). Calebin A is found in turmeric and herbs and spices.
Licofuranocoumarin
Licofuranocoumarin is found in herbs and spices. Licofuranocoumarin is a constituent of Glycyrrhiza uralensis (Chinese licorice) Constituent of Glycyrrhiza uralensis (Chinese licorice). Licofuranocoumarin is found in herbs and spices.
Uralene
Uralene is found in herbs and spices. Uralene is a constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Uralene is found in herbs and spices.
Gancaonin D
Gancaonin D is found in herbs and spices. Gancaonin D is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin D is found in herbs and spices.
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4 and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
4'-Methylepicatechin 3'-sulfate
4'-Methylepicatechin 5-sulfate
4'-Methylepicatechin 7-sulfate
Propanoic acid, 3-((((2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)amino)thioxomethyl)thio)-
Glucose lactate ketone
Theasaponin F2
Theasaponin f2 is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Theasaponin f2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin f2 can be found in tea, which makes theasaponin f2 a potential biomarker for the consumption of this food product.
betanidin quinone
Betanidin quinone is a member of the class of compounds known as betalains. Betalains are organic compounds belonging to the class of Betaxanthins or Betacyanins. This class also contains derivatives of betalamic acid, which is the precursor of betalains. Betanidin quinone is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Betanidin quinone can be found in a number of food items such as star fruit, bitter gourd, moth bean, and herbs and spices, which makes betanidin quinone a potential biomarker for the consumption of these food products.
buddlenol E
(2S,3S)-3,5,7-Trihydroxy-2-methoxy-6,6-dimethylpyrano[2,3:4,3]flavanone
(2,4-cis)-3,4-Methylenedioxy-4,5,8-trimethoxy-[2,3:7,6]-furanoflavan
O=C1C2=C(O)C=C(O)C=C2C(=O)C(C=C2O3)=C1C(O)=C2C1C(O)CCC3(C)O1
5,4-Dihydroxy-2-(1-hydroxy-1-methylethyl)-3-methoxyfurano[4,5:6,7]isoflavone
4,5-Dihydro-3,5,3,4-tetrahydroxy-4,6,6-trimethylpyrano[2,3:7,8]flavone
Licopyranocoumarin
5,7,3,4-Tetrahydroxy-3-methoxy-5-prenylflavone
Oxyisocyclointegrin
6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
(2R,3S)-2-Acetyl-3-hydroxy-2-methyl-5,6-methylenedioxy-3-veratrylindan-1-one|2-Acetyl-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-methyl-5,6-methylenedioxyindenone|rel-(2R,3S)-2-acetyl-3-hydroxy-2-methyl-5,6-methylenedioxy-3-veratrylindan-1-one
2-Acetoxy-1,3-dimethoxy-methylendioxypterocarp-6a-en
6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
(6aR,11aR)-2-(4,5-dihydroxy-1-isopentenyl)-3-hydroxy-8,9-methylenedioxypterocarpan
(-)-sanguinolignan B|(8S,7S,8S)-3,3,4,4-bis(methylenedioxy)-7-hydroxy-7-oxolignano-9,9-lactone
Me ester-9,10-Dihydro-3,6,8-trihydroxy-9,10-dioxo-1-(1-oxopropyl)-2-anthranceneacetic acid
(1S,2S,3R,4S)-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol|1alpha-benzoyloxymethyl-3alpha-benzoyloxycyclohex-5-en-1beta,2beta,4beta-triol
9-ethyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
(2R,3R)-2,3-dihydro-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one|glysapinol
9,10-Dihydro-5-hydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4,8-dione
2-O-[2-(5-hydroxy-2,6,6-trimethyl-3-oxo-2H-pyran-2-yl)ethyl]bergaptol
(+)-4-oxo-8-hydroxy-2,6-di(3,4-methylenedioxy)phenyl-3,7-dioxabicyclo[3.3.0]octane|vitelignin A
1,3,6-trihydroxy-7-methoxy-2-(3-methylbut-2-enyl)-8-(2-oxoethyl)-9H-xanthen-9-one|oxoethylmangostine
1-(4,5-dihydroxy-3-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione|curcumalongin C
6-(3-methyl-2-buten-1-yl)-3,5,7-trihydroxy-4-methoxycoumarano-chroman-4-one
O-[3-(2,2-dimethyl-3-oxo-2H-furan-5-yl)-3-hydroxybutyl]bergaptol
2,4,4,5-tetramethoxy-[2,3:6,7]-furanodihydroaurone
2(S)-5,7-dihydroxy-3-methoxy-[2-(5-hydroxy)-methylpyrano]-(5,6:3,4)flavanone
2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-3-methoxy-4-hydroxy-6-(4-hydroxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
5-Ethoxy-2,3,10-tri-O-methylpeltogynin|5-ethoxy-2,3,10-trimethoxy-<1>benzopyrano<3,2-c><2>benzopyran-7(5H)-one
alpha-(trans-5-hydroxy-3,4-dimethoxybenzylidine)-beta-(3,4-methylenedioxybenzyl)-gamma-butyrolactone
Eleutheroside B1
Eleutheroside B1 is a natural product found in Eleutherococcus senticosus with data available.
4-demethyl-
4-demethyldeoxypodophyllotoxin is a member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group. It has a role as a plant metabolite, an immunosuppressive agent, an antioxidant and an antineoplastic agent. It is a lignan, a gamma-lactone, a furonaphthodioxole, a member of methoxybenzenes and a member of phenols. 4-Demethyldeoxypodophyllotoxin is a natural product found in Diphylleia grayi, Hebecarpa macradenia, and other organisms with data available. A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group.
Isofraxidin-7-glucoside
Calycanthoside is a natural product found in Salsola laricifolia, Boeremia exigua, and other organisms with data available.
6-Prenylquercetin-3-Me ether
5,7,3,4-Tetrahydroxy-3-methoxy-6-prenylflavone is a natural product found in Glycyrrhiza uralensis with data available.
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate
6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
4-Demethyldeoxypodophyllotoxin
Origin: Plant, Organic chemicals, Polycyclic compounds, Naphthalenes
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based: Match]
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000846337]
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000845530]
(5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate [IIN-based: Match]
UK-373911
CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3710; ORIGINAL_PRECURSOR_SCAN_NO 3708 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3724 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3692; ORIGINAL_PRECURSOR_SCAN_NO 3691 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3720; ORIGINAL_PRECURSOR_SCAN_NO 3719 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3707; ORIGINAL_PRECURSOR_SCAN_NO 3704 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3709; ORIGINAL_PRECURSOR_SCAN_NO 3707 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7620; ORIGINAL_PRECURSOR_SCAN_NO 7617 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7657; ORIGINAL_PRECURSOR_SCAN_NO 7655 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7659; ORIGINAL_PRECURSOR_SCAN_NO 7656 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7702; ORIGINAL_PRECURSOR_SCAN_NO 7699 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7703; ORIGINAL_PRECURSOR_SCAN_NO 7699 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7702; ORIGINAL_PRECURSOR_SCAN_NO 7697
Cys Cys Cys Gly
Cys Cys Gly Cys
Cys Gly Cys Cys
Gly Cys Cys Cys
Gancaonin D
Gancaonin P 3methyl ether
Eleutheroside B1
Dimethoxysterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Isolicopyranocoumarin
Licofuranocoumarin
5-Methoxyhinokinin
2-O-Feruloylhydroxycitric acid
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
1-methoxy-3,8,9-trihydroxy-2-prenylcoumestan
trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione
3-bromo-2-[[4-(diethylamino)-o-tolyl]azo]-5-methylbenzonitrile
4-(1H,1H,2H,2H,3H,3H-PERFLUOROHEPTYLOXY)BENZYL ALCOHOL
Phosphonium,(1-methylethyl)triphenyl-, bromide (1:1)
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one
N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)isobutyramide
2-Naphthalenecarboxylic acid, 7-bromo-4-(phenylmethoxy)-, ethyl ester
2-(2-(2-oxo-2H-chromen-7-yloxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
tert-Butyl 3-((5-bromo-3-formylpyridin-2-yloxy)-methyl)pyrrolidine-1-carboxylate
Tetrazolium violet
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts
5-o-(p-chlorobenzoyl)-3-c-(2-trimethylsilylethynyl)-d-ribofuranose
3-((4-BROMOPHENYL)(2,5-DIMETHYLPHENYL)METHYL)-2,5-DIMETHYLTHIOPHENE
L-Alanine,1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl ester
(carboethoxymethyl)triphenylphosphonium chloride hydrate
sodium,formaldehyde,6-hydroxynaphthalene-2-sulfonic acid,2-methylphenolate
Alizarin Complexone dihydrate, indicator grade, pure
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide
(S)-2-(4-Methylphenylsulfonamido)-N-(5-phenyl-1H-pyrrol-3-yl)propanamide
2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
Bicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylicacid, 2,6-dihydroxy-, 1,3,5,7-tetramethyl ester
ethyl 1-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
DICLOFENACBETA-DIMETHYLAMINOETHANOL
C14H11Cl2NO2.C4H11NO (384.1007)
p-Nitrophenyl 2-Acetamido-2-deoxy-3-O-acetyl-β-D-glucopyranoside
2-Propenoic acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-, 2-acetyl-5-methoxyphenyl ester
3-Bromo-5-(ethoxycarbonylmethoxy)phenylboronic acid, pinacol ester
(4Z)-4-[(2E,4E)-5-(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-1,2-oxazol-5-one
LY2140023 Monohydrate
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Phenyliodoundecynoate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
Propanoic acid, 3-((((2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)amino)thioxomethyl)thio)-
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-
(4-Chlorophenyl)[5-morpholino-4-(2-pyridinyl)-2-thienyl]methanone
2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
4-(4-fluorophenyl)sulfonyl-2-(2-furanyl)-N-phenyl-5-oxazolamine
3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
N-Benzyl-2-(6-bromo-2-methyl-quinolin-4-yloxy)-acetamide
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4 and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
3-Hydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one
[3,3:5,3-Terpyridin]-2-amine, 6,6-bis(trifluoromethyl)-
2,4,6,8-Tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione
Eleutheroside B1
Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.
1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]anthracene-5,10-dione
3,4a,8,10,11-pentahydroxy-1,12-dioxo-5,12a-dihydro-4H-tetracene-2-carboxamide
(2R,3S,4R,5S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexanedioate
5,5,6,6-Tetrahydroxy-4,7-bi[1H-indole-2-carboxylic acid]
4-(3-Acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-oxobutanoic acid
1-[(E)-2-(6-carboxy-2-carboxylato-2,3-dihydropyridin-4-yl)ethenyl]-5,6-dioxo-2,3-dihydroindole-2-carboxylate
2-Hydroxypropanoyloxycarbonyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propanoate
(E)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-3-oxobut-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enoic acid
(-)-sanguinolignan A
A lignan isolated from the leaves of Piper sanguineispicum.
(-)-sanguinolignan B
A lignan isolated from the leaves of Piper sanguineispicum.
6-O-sinapoyl-D-glucono-1,5-lactone
The 6-O-sinapoyl derivative of D-glucono-1,5-lactone.
5-[(2-chlorophenoxy)methyl]-N-(4-methoxybenzylidene)-2-furohydrazide
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester
N-[4-chloro-2-[(2-ethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
6-bromo-3-(4-morpholinyl)-4-phenyl-1H-quinolin-2-one
1-[4-(4-Morpholinyl)-2,1,3-benzoxadiazol-7-yl]-3-(4-nitrophenyl)urea
1-(2,5-Dimethoxyphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
5-chloro-N-(2-furanylmethyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide
3-[(3-chlorophenyl)methyl]-N-(2-furanylmethyl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
Kweichowenol B
A benzoate ester that is the diester obtained by the formal condensation of two molecules of benzoic acid with the hydroxymethyl group at position 1 and the hydroxy group at position 4 of 1-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol the (1S,4R,5S,6S stereoisomer). Isolated from the leaves of Uvaria kweichowensis, it exhibits antitumour activity.
(3E)-4-(3-acetyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoic acid
(Z)-(2,5-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
dihydrofuro-7-O-methylluteone
A a methoxyisoflavone that is a 7-methoxyisoflavone compound arising from enzyme-mediated epoxidation/cyclisation of 7-O-methylluteone.
(2S,5S,6R)-6-[[2-carboxy-1-oxo-2-(3-thiophenyl)ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(E)-(2,5-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-[(E)-3-oxobut-1-enyl]phenoxy]oxane-2-carboxylic acid
[(2R,3S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulfate
(3-Acetyloxy-2,9-dihydroxy-6-oxo-[1]benzouro[3,2-c]chromen-8-yl) acetate
6-[3-(1,3-Benzodioxol-5-yl)-3-oxopropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid
(2Z,5E)-2-[(4-ethylphenyl)imino]-5-(4-hydroxy-3,5-dimethoxybenzylidene)-1,3-thiazolidin-4-one
Ticarcillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A penicillin compound having a 6beta-[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino side-group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
5,6-Dimethoxysterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
SC-58125
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide
(2S)-versicolorone(2-)
An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of (2S)-versicolorone.
(-)-DCA-CC(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (-)-DCA-CC; major species at pH 7.3.
(+)-DCA-CC(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (+)-DCA-CC; major species at pH 7.3.
(7R)-7-(4-carboxylatobutanamido)cephalosporanate
Dicarboxylate anion of (7R)-7-(4-carboxybutanamido)cephalosporanic acid.
EL-102
EL-102 is a hypoxia-induced factor 1 (Hif1α) inhibitor. EL-102 induces apoptosis, inhibits tubulin polymerisation and shows activities against prostate cancer. EL-102 can be used for the research of cancer[1].
PI-103 (Hydrochloride)
PI-103 Hydrochloride is a dual PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 Hydrochloride also inhibits DNA-PK with an IC50 of 2 nM. PI-103 Hydrochloride induces autophagy[1][2][3][4]. PI-103 Hydrochloride is a dual PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 Hydrochloride also inhibits DNA-PK with an IC50 of 2 nM. PI-103 Hydrochloride induces autophagy[1][2][3][4].
(1r,2s,5s,6s)-5-[(benzoyloxy)methyl]-2,5,6-trihydroxycyclohex-3-en-1-yl benzoate
(1r,4s,5r,6r)-3-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
(2r,3r)-4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methoxy-2h,3h-furo[3,2-g]chromen-5-one
methyl 2-[(3-formyl-4-hydroxyphenyl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
(1s,17r,20r)-3,7,9,20-tetrahydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
3-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-(2-oxo-2-phenylethyl)-6-oxabicyclo[3.2.1]octan-7-one
(10r,11r,15r)-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
5,6-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
3,4,5,7-tetrahydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaen-10-one
3,5,7-trihydroxy-8-methoxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6-(3-methylbut-2-en-1-yl)chromen-4-one
2-[3-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-5-methylphenoxy]-5-methylbenzene-1,3-diol
(8r)-6,8,11-trihydroxy-8-[(1s)-1-hydroxyethyl]-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione
4-({4-hydroxy-10-methoxy-6-methyl-2-oxo-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-12-yl}oxy)-2-methylbut-2-enoic acid
3-hydroxy-8-[(4-methoxy-6-oxopyran-2-yl)methyl]-1-phenyl-9,10-dioxatricyclo[4.3.1.0³,⁸]decan-4-one
(1s,4r,5s,6s)-4-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
(4s)-4,7,8-trimethoxy-4-[(4-methoxyphenyl)methyl]-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8,11-tetraen-5-one
(1r,4s,5s,6s)-4-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
(6r,7r)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-4-one
(1s,4r,5s,6s)-6-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
4-({4-hydroxy-10-methoxy-6-methyl-2-oxo-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-12-yl}oxy)-2-methylbut-3-enoic acid
(3e)-4-(3-acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-hydroxybut-3-enoic acid
3-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-8-hydroxy-1-methylanthracene-9,10-dione
5-[(1s,3ar,4s,6ar)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2h-1,3-benzodioxole
6-[(1r,3as,4r,6as)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2h-1,3-benzodioxole
1,3-di- o - p -coumaroylglycerol
{"Ingredient_id": "HBIN001221","Ingredient_name": "1,3-di- o - p -coumaroylglycerol","Alias": "NA","Ingredient_formula": "C21H20O7","Ingredient_Smile": "NA","Ingredient_weight": "384.38","OB_score": "NA","CAS_id": "115788-09-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9546","PubChem_id": "NA","DrugBank_id": "NA"}
5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether,6-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN011112","Ingredient_name": "5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether,6-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H20O10","Ingredient_Smile": "NA","Ingredient_weight": "384.33","OB_score": "NA","CAS_id": "32451-87-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7725","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-5'-demethoxyepiexcelsin
{"Ingredient_id": "HBIN011508","Ingredient_name": "(+)-5'-demethoxyepiexcelsin","Alias": "NA","Ingredient_formula": "C21H20O7","Ingredient_Smile": "COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC6=C(C=C5)OCO6","Ingredient_weight": "384.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5045","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "489947","DrugBank_id": "NA"}
anticancer glycerol ester pmv70p691-117
{"Ingredient_id": "HBIN016345","Ingredient_name": "anticancer glycerol ester pmv70p691-117","Alias": "NA","Ingredient_formula": "C21H20O7","Ingredient_Smile": "C1=CC(=CC=C1C=CC(=O)OCC(COC(=O)C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1422","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
