Exact Mass: 266.1307
Exact Mass Matches: 266.1307
Found 500 metabolites which its exact mass value is equals to given mass value 266.1307,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nevirapine
Nevirapine is only found in individuals that have used or taken this drug. It is a potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV infection and AIDS. [PubChem]Nevirapine binds directly to reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by causing a disruption of the enzymes catalytic site. The activity of nevirapine does not compete with template or nucleoside triphosphates. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Magnolol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively. Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively. Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively.
Honokiol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018926 - Anti-Allergic Agents D004791 - Enzyme Inhibitors Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4]. Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4]. Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4].
Dienestrol
Dienestrol is a synthetic, non-steroidal estrogen. It is an estrogen receptor agonist. Estrogens work partly by increasing a normal clear discharge from the vagina and making the vulva and urethra healthy. Using or applying an estrogen relieves or lessens: dryness and soreness in the vagina, itching, redness, or soreness of the vulva. Conditions that are treated with vaginal estrogens include a genital skin condition (vulvar atrophy), inflammation of the vagina (atrophic vaginitis), and inflammation of the urethra (atrophic urethritis). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
Xanthoxic acid
Xanthoxic acid, known scientifically as 3,4,5-trimethoxybenzoic acid, is an organic compound belonging to the class of aromatic acids. It is characterized by a benzene ring with hydroxyl groups (OH) substituted at the 3, 4, and 5 positions with methoxy groups (OCH₃). This chemical structure imparts specific chemical and biological properties to xanthoxic acid. Chemically, xanthoxic acid is a white to yellowish crystalline solid, which is soluble in organic solvents but less soluble in water. Its chemical formula is C10H12O5, and it has a molecular weight of approximately 212.21 g/mol. Biologically, xanthoxic acid exhibits a range of pharmacological activities. It has been noted for its anti-inflammatory, antibacterial, and antifungal properties. These activities are attributed to its ability to interfere with various cellular processes, including inflammation and microbial growth. In traditional medicine, particularly in Chinese medicine, plants containing xanthoxic acid are used to treat conditions such as gastrointestinal disorders, skin infections, and as a general health tonic. In terms of its natural occurrence, xanthoxic acid is found in several plants, notably in the roots, stems, and leaves of certain species. It is particularly abundant in plants like Phellodendron amurense (Amur cork tree) and Coptis chinensis (Chinese goldthread), which are used in traditional Chinese medicine. From a pharmacological perspective, xanthoxic acid and its derivatives are of interest for their potential in drug development. Researchers are exploring its anti-inflammatory and potential anticancer properties, aiming to develop new therapeutic agents that can effectively treat these conditions with fewer side effects. In summary, xanthoxic acid is a multifaceted compound with diverse biological activities and potential medicinal applications. Its presence in traditional medicinal plants and its pharmacological properties make it a subject of interest in both traditional and modern medicine.
equilenin
A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mares and extensively used for estrogen replacement therapy in postmenopausal women. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
gamma-Glutamyltyramine
An L-glutamine derivative obtained by formal condensation of the side-chain carboxy group of glutamic acid with the amino group of tyramine.
6alpha,8beta-Dihydroxygermacra-1(10),4,11(13)-trien-12-oate
Magnolol
Magnolol is a member of biphenyls. Magnolol is a natural product found in Magnolia garrettii, Illicium simonsii, and other organisms with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively. Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively. Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively.
Honokiol
Honokiol is a member of biphenyls. Honokiol is a natural product found in Illicium simonsii, Illicium fargesii, and other organisms with data available. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018926 - Anti-Allergic Agents D004791 - Enzyme Inhibitors Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4]. Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4]. Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4].
Threonylphenylalanine
Threonylphenylalanine is a dipeptide composed of threonine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Artemin
Artemin is found in herbs and spices. Artemin is a constituent of Artemisia species Constituent of Artemisia subspecies Artemin is found in herbs and spices.
3-Phenylpropyl cinnamate
3-Phenylpropyl cinnamate is a flavouring ingredient. Flavouring ingredient
Blennin D
Blennin D is found in mushrooms. Blennin D is a constituent of Lactarius blennius (slimy milk cap) Constituent of Lactarius blennius (slimy milk cap). Blennin D is found in mushrooms.
Arlatin
Constituent of Artemisia absinthium (wormwood). Arlatin is found in alcoholic beverages and herbs and spices. Arlatin is found in alcoholic beverages. Arlatin is a constituent of Artemisia absinthium (wormwood)
(2E)-N-(4-amino-2,3-dihydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enimidic acid
3',4',5'-Trimethoxycinnamyl alcohol acetate
3,4,5-Trimethoxycinnamyl alcohol acetate is found in citrus. 3,4,5-Trimethoxycinnamyl alcohol acetate is a constituent of oil of bergamot (Citrus bergamia). Constituent of oil of bergamot (Citrus bergamia). 3,4,5-Trimethoxycinnamyl alcohol acetate is found in citrus.
Sapidolide A
Sapidolide A is found in fruits. Sapidolide A is a constituent of Baccaurea sapida (Burmese grape). Constituent of Baccaurea sapida (Burmese grape). Sapidolide A is found in fruits.
N5-(4-Methoxybenzyl)glutamine
N5-(4-Methoxybenzyl)glutamine is found in fruits. N5-(4-Methoxybenzyl)glutamine is a constituent of the xylem sap of the roots of Cucurbita maxima x Cucurbita moschata. Constituent of the xylem sap of the roots of Cucurbita maxima x Cucurbita moschata. N5-(4-Methoxybenzyl)glutamine is found in fruits and japanese pumpkin.
Phenylalanylthreonine
Phenylalanylthreonine is a dipeptide composed of phenylalanine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Benzoylcarnitine
Benzoylcarnitine belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoylcarnitine is a member of the class of compounds known as acylcarnitines. Acylcarnitines are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Acylcarnitines are useful in the diagnosis of genetic disorders such as fatty acid oxidation disorders and differentiation between biochemical phenotypes of medium-chain acyl-CoA dehydrogenase (MCAD) deficiency disorders (PMID: 12385891). Benzoylcarnitine is a metabolite of benzoate and has been identified in the urine of hyperammonemia patients treated with sodium benzoate and L-carnitine (PMID: 2609332).
6-Hydroxymethyl-1-methyl-5-vinyl-9,10-dihydrophenanthrene-2-ol
7-Benzyloxytryptamine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.752 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.747
(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
5,5-Dipropenyl-biphenyl-2,2-diol|6.6-Dihydroxy-3.3-dipropenyl-biphenyl|isomagnolol|trans-Isomagnolol
2,3-O-Benzylidene,4-Me-beta-D-Pyranose-1,6-Anhydromannose
1beta,3beta-dihydroxy-7-acetoxynoreremophil-6(7),9(10)-dien-8-one
Ac-(3Z, 6S, 7S, 8Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
3-(4-isobutyryloxy-3-methoxyphenyl)-2,3-epoxypropan-1-ol|4-O-isobutyryl-3-O-methyl-7,8-epoxyconiferyl alcohol
2,6-Dihydroxy-3-(2-methyl-butyryl)-4-methoxy-5-methyl-benzaldehyd
methyl (+)-7-methoxyanodendroate|methyl 7-methoxyanodendroate
(2S)-2-amino-6-{[(E)-3-(1H-imidazol-4-yl)-2-propenoyl]amino}hexanoic acid
(+)-7-Acetyl-2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxybenzofuran
(9E,12Z)11-hydroxy-6-methyl-7,15-dioxabicyclo[12.1.0]pentadeca-9,12-diene-2,8-dione
2,4,6-trihydroxy-3-methyl-5-(3-methyl-1-oxopentyl)benzaldehyde
2,6-Diaminopurine 2-deoxyriboside
2-Amino-2'-deoxyadenosine is a deoxyribonucleoside used for the oligonucleotide synthesis.
2,6-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1,7-dimethyl-
3,4-seco-4-oxo-3-nor-eremophila-1(10),11(13)-dien-2,12-dioic acid
3,4-Dihydroxy-5-(2-hydroxy-3-methyl-3-butenyl)benzoic acid ethyl ester
3-Methyl-2-butanoyl-(E,E)-3,5-Triecadiene-7,9,11-triyn-1-ol
(3R,5S)-1-oxo-5,10,12-trihydroxy-3-methyl-3,4,5,6,7,8-hexahydrobenzo[c]oxecin|(3R,5S)-sonnerlactone|3R,5S-sonnerlactone
2-hydroxyl-2-[(E)-1alpha,2beta,3-trihydroxyl-3-nonaene-5,7-diyne]-4H-pyran
(2S,3S)-12-hydroxypterosin Q|(2S,3S)-6-(1,2-dihydroxyethyl)-2,3-dihydro-3-hydroxy-5-(hydroxymethyl)-2,7-dimethyl-1H-inden-1-one
3beta,8alpha-dihydroxy-11alpha-methyl-1alphaH,5alphaH,6betaH,7alphaH,11betaH-guai-10(14),4(15)-dien-6,12-olide
(2R,3R)-5-allyl-2,3-dihydro-2-(4-hydroxyphenyl)-3-methylbenzofuran|miliumollin
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,3-diol
2,7-Phenanthrenediol, 4-ethenyl-9,10-dihydro-1,8-dimethyl-
(E)-1-(2,3,4,6-tetramethoxyphenyl)but-2-en-1-one|Tetra-Me ether-(E)-1-(2,3,4,6-Tetrahydroxyphenyl)-2-buten-1-one
2-Me ether-2,4,6-Trihydroxy-3-methyl-5-(3-methyl-1-oxobutyl)benzaldehyde
4-ETHENYL-3,8-DIMETHYL-9,10-DIHYDROPHENANTHRENE-1,7-DIOL
4-Me ether-2,4,6-Trihydroxy-3-methyl-5-(3-methyl-1-oxobutyl)benzaldehyde
Anolignan B
A lignan that consists of buta-1,3-diene substituted by 4-hydroxybenzyl groups at positions 2 and 3. It is isolated from the ground stems of Anogeissus acuminata and exhibits anti-HIV activity by inhibiting HIV-1 reverse transcriptase enzyme.
2,6-Dihydroxy-4-methoxy-3-(3-methyl-but-2-enyl)-benzoesaeure-methylester|2,6-dihydroxy-4-methoxy-3-(3-methyl-but-2-enyl)-benzoic acid methyl ester|methyl 2,6-dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)benzoate
(1R,3S)-3-hydroxy-1-methylbutyl beta-D-glucopyranoside|(2R,4S)-2-O-(beta-D-glucopyranosyl)pentane-2,4-diol|(2R,4S)-2-O-beta-D-glucopyranosyl-2,4-pentanediol
Magnolol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Annotation level-1 Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively. Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively. Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 μM and 17.7 μM, respectively.
Honokiol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018926 - Anti-Allergic Agents D004791 - Enzyme Inhibitors Annotation level-1 Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4]. Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4]. Honokiol is a bioactive, biphenolic phytochemical that possesses potent antioxidative, anti-inflammatory, antiangiogenic, and anticancer activities by targeting a variety of signaling molecules. It inhibits the activation of Akt. Honokiol can readily cross the blood brain barrier[1][2][3][4].
nevirapine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
C18H18O2_Phenol, 4-[(2R,3R)-2,3-dihydro-3-methyl-5-[(1E)-1-propen-1-yl]-2-benzofuranyl]
(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid [IIN-based: Match]
(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid [IIN-based on: CCMSLIB00000845558]
(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid_major
Phe-THR
A dipeptide composed of L-phenylalanine and L-threonine joined by a peptide linkage.
THR-Phe
A dipeptide formed from L-threonine and L-phenylalanine residues.
Sapidolide A
5-(Ethoxycarbonyl)furan-2-boronic acid pinacol ester
3-Pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoic acid
2,8-Diazaspiro[4.5]decan-1-one,2-phenyl-, hydrochloride (1:1)
Methyl 4-(4-Benzyl-1-piperazinyl)-3-fluorobenzoate
2-TERT-BUTOXYCARBONYLAMINO-3-PYRIDIN-3-YL-PROPIONIC ACID
1-(4-Piperidyl)-1,2,3,4-tetrahydro-2-quinolinone hydrochloride
4-Boc-8-Fluoro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
(2-OXO-2-PHENYL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
benzyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate
3,6-bis(3-methylpyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
Trans-2-(3,5-difluorophenyl)vinyl boronic acid pinacol ester
2-(2-Chloro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TERT-BUTYL 6-AMINO-7-FLUORO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLATE
N-(4-tert-butylsulfanylpyridin-3-yl)-2,2-dimethylpropanamide
3,5-bis(chloromethyl)-2,2,6,6-tetramethylheptan-4-one
3,9-bis(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
1-spiro[2H-indole-3,4-piperidine]-1-ylethanone,hydrochloride
methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
N-[(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE)METHYL]-BENZAMIDE
METHYL 3-AMINO-4-((TERT-BUTOXYCARBONYL)AMINO)BENZOATE
Methyl (2R)-3-amino-2-{[(benzyloxy)carbonyl]amino}propanoate hydrochloride
2-[4-(2-FLUORO-ETHOXY)-PHENYL]-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
2-(4-chloro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-Chlorophenyl)ethylboronic acid pinacol ester,
4,4,5,5-TETRAMETHYL-2-(4-(METHYLSULFINYL)PHENYL)-1,3,2-DIOXABOROLANE
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
(R)-BENZYL (1-HYDROXY-4-(METHYLAMINO)-4-OXOBUTAN-2-YL)CARBAMATE
1-[4-(5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YLOXY)-PHENYL]-ETHANONE
3-(2-FLUORO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-FLUORO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-FLUORO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-(3-tert-butylsulfanylpyridin-4-yl)-2,2-dimethylpropanamide
3-TERT-BUTOXYCARBONYLAMINO-3-PYRIDIN-3-YL-PROPIONIC ACID
4-(3,4-DIMETHOXYPHENYL)-2,2-DIMETHYL-4-OXOBUTYRIC ACID
2-Amino-9-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
METHYL 2-AMINO-4-((TERT-BUTOXYCARBONYL)AMINO)BENZOATE
N-(3-tert-butylsulfanylpyridin-2-yl)-2,2-dimethylpropanamide
(E)-2-(2,4-Difluorostyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4,6-DIMETHOXYPYRIMIDIN-2-YL)CYCLOHEXANECARBOXYLICACID(RACEMICMIXTUREOFCIS-ISOMERS)
1-Phenyl-1,8-diazaspiro[4.5]decan-2-one hydrochloride (1:1)
2-Phenyl-2,8-diazaspiro[4.5]decan-3-one hydrochloride (1:1)
1-[2-(1H-INDOL-3-YL)-ETHYL]-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
Benzamide,N-[(1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
4-Boc-7-Fluoro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
2-(3-Chlorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]acetate
2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
2-AMINO-3,5,7,8-TETRAHYDRO-4-OXO-PYRIDO[4,3-D]PYRIMIDINE-6(4H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
N-((4-(4-FLUOROBENZYL)MORPHOLIN-2-YL)METHYL)ACETAMIDE
4-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid
3-Amino-3-deoxyadenosine
3'-Amino-3'-deoxyadenosine is an antitumor agent extracted from Helminthosporium[1].
Pentanoic acid,2-(diethoxyphosphinyl)-, ethyl ester
(3,4)-cis-benzyl 4-(aminomethyl)-3-fluoropiperidine-1-carboxylate
6-amino-3-ethyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
2-Propenoic acid,3-(2,4,6-trimethoxyphenyl)-, ethyl ester
4-piperidinamine, 1-[(2E)-1-oxo-3-phenyl-2-propenyl]-
(R)-3-(4-EthylaMino-pyriMidin-2-yloxy)-piperidine-1-carboxylic acid
(2S,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone
(2R,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone
2-Fluoro-4-(4-methyl-1-piperazinylcarbonyl)benzeneboronic acid
3-Carboxy-4-fluorobenzeneboronic acid pinacol ester
Benzamide, 3-(3-endo)-8-azabicyclo[3.2.1]oct-3-yl-, hydrochloride
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
1-Benzyl 2-(tert-butyl) 1,2-hydrazinedicarboxylate
5-Amino-5-deoxyadenosine
5'-Amino-5'-deoxyadenosine (NH2dAdo; Nsc 238990) is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
TRANS-9,10-DIHYDRO-9,10-ETHANOANTHRACENE-11,12-DIMETHANOL
4-(3,4-DIMETHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
2-[2-Fluoro-4-(4-Methylpiperazino)phenyl]-1,3-dioxolane
2-(Bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
2-Chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone
2-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphinic acid
2-[2-Oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]acetic acid
Ethanaminium, 2-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-
(2S)-2-azaniumyl-5-{[2-(4-hydroxyphenyl)ethyl]amino}-5-oxopentanoate
[(2R)-2-Benzoyloxy-3-carboxypropyl]-trimethylazanium
N-(3-chlorophenyl)-2-(4-methyl-1-piperidinyl)acetamide
N-[(E)-(3,5-Dimethyl-1,2-oxazol-4-yl)methylideneamino]quinolin-2-amine
6-Amino-4-methyl-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
N-[2-(propan-2-ylamino)-1,3-benzodioxol-2-yl]carbamic acid ethyl ester
1-hydroxy-3-(indol-3-ylmethyl)-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazine
2-Chloro-1-[4-(1-phenylethyl)-1-piperazinyl]ethanone
(2S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol
9a-hydroxy-2-[(Z)-1-hydroxypent-2-en-2-yl]-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-4,9-dione
9a-hydroxy-2-[(E)-4-hydroxypent-2-en-2-yl]-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-4,9-dione
(E)-N-(4-amino-2,3-dihydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enamide
3-[3-[(3,3-Dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]-2-hydroxypropanoic acid
2-[4,6-Dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]acetic acid
Dimethyl cis-4-((E)-crotonoyl)-4-cyclohexene-1,2-dicarboxylate
Dimethyl (3R*,5S*,6R*)-3-methyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl trans-4-((E)-crotonoyl)-4-cyclohexene-1,2-dicarboxylate
Dimethyl (3R*,3AS*,5S*,6S*)-3-methyl-2,3,3A,4,5,6-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dienestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
gamma-glutamyltyramine zwitterion
An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyltyramine
(+)-Conocarpan
A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a methyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.
3,4-dimethyl-5-carboxyethylene-2-furanpentanoic acid
Thiamine(2+)
A primary ammonium ion that is the conjugate acid of thiamine(1+) resulting from the protonation of the primary amino group.
2-Amino-2'-deoxyadenosine
2-Amino-2'-deoxyadenosine is a deoxyribonucleoside used for the oligonucleotide synthesis.
AzddMeC
AzddMeC (CS-92) is an antiviral nucleoside analogue and a potent potent, selective and orally active HIV-1 reverse transcriptase and HIV-1 replication inhibitor. In HIV-1-infected human PBM cells and HIV-1-infected human macrophages, the EC50 values of AzddMeC are 9 nM and 6 nM, respectively[1][2]. AzddMeC is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
(1r,2s,4r,8as)-4,7-dihydroxy-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl acetate
2-amino-4-{[2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(1s,2r,8s,10s,14s)-4,4,14-trimethyl-11-methylidene-3,5,9,12-tetraoxatetracyclo[6.5.1.0¹,¹⁰.0²,⁶]tetradecan-13-one
1-(5-acetyl-2-hydroxy-4-methoxyphenyl)-3-hydroxy-3-methylbutan-1-one
6-{5-hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-4-methylhex-3-enoic acid
(2s,4s,5s)-2,4-dimethyl-5-[(1e,3e,5e)-7-oxoocta-1,3,5-trien-1-yl]-1,3-dioxolane-2-carboxylic acid
[(1s,3r,4s)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-2-benzopyran-1-yl]acetic acid
methyl 2-({5-[(3s)-3-hydroxybutyl]pyridin-2-yl}formamido)acetate
4-[(1z)-3-(4-hydroxyphenyl)-3-methylpenta-1,4-dien-1-yl]phenol
(1r,6r,8s,9s,12r)-8,9-dihydroxy-6,11,11-trimethyl-7,10-dioxatetracyclo[7.4.0.0¹,¹².0⁴,⁸]tridec-3-en-2-one
(1r,6s,9e,11r,12z,14r)-11-hydroxy-6-methyl-7,15-dioxabicyclo[12.1.0]pentadeca-9,12-diene-2,8-dione
14-ethylidene-1,10-diazatetracyclo[11.2.2.0³,¹¹.0⁴,⁹]heptadeca-3(11),4,6,8-tetraen-12-one
3-(2-hydroxyethyl)-8-(hydroxymethyl)-4,8-dimethyl-10-oxatricyclo[4.3.1.0¹,⁶]dec-3-ene-2,5-dione
(5s)-4-hydroxy-5-[(1s,4e,6e)-1-hydroxy-3-oxoocta-4,6-dien-1-yl]-3,5-dimethylfuran-2-one
4-{2-[(2r,4r)-4-hydroxy-2-methyl-5-oxooxolan-2-yl]ethyl}-3-[(1e)-prop-1-en-1-yl]-5h-furan-2-one
2-amino-6-{[1-hydroxy-3-(3h-imidazol-4-yl)prop-2-en-1-ylidene]amino}hexanoic acid
4,4,14-trimethyl-11-methylidene-3,5,9,12-tetraoxatetracyclo[6.5.1.0¹,¹⁰.0²,⁶]tetradecan-13-one
(2r)-4-hydroxy-2-methylbutyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(2r,4s)-4-hydroxypentan-2-yl]oxy}oxane-3,4,5-triol
4-[(2r,3r)-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]phenol
(3r,4r)-4,8-dihydroxy-3-[(2s)-2-hydroxypropyl]-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
(2s)-1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-[(2r,5s)-5-methyloxolan-2-yl]ethanone
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol
(3s,6r,6's)-6-hydroxy-6,6'-dimethyl-1,4-dihydrospiro[cyclopenta[c]pyran-3,2'-oxane]-5,7-dione
(?)-4'-o-methyl-nyasol
{"Ingredient_id": "HBIN010789","Ingredient_name": "(?)-4'-o-methyl-nyasol","Alias": "NA","Ingredient_formula": "C18H18O2","Ingredient_Smile": "COC1=CC=C(C=C1)C=CC(C=C)C2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14619","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-1,7-dihydroxy-2,8-dimethyl-4-vinylphenanthrene
{"Ingredient_id": "HBIN013924","Ingredient_name": "9,10-dihydro-1,7-dihydroxy-2,8-dimethyl-4-vinylphenanthrene","Alias": "NA","Ingredient_formula": "C18H18O2","Ingredient_Smile": "NA","Ingredient_weight": "266.339","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7317","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,3-dihydroxy-1,7-dimethyl-5-vinylphenanthrene
{"Ingredient_id": "HBIN013926","Ingredient_name": "9,10-dihydro-2,3-dihydroxy-1,7-dimethyl-5-vinylphenanthrene","Alias": "NA","Ingredient_formula": "C18H18O2","Ingredient_Smile": "NA","Ingredient_weight": "266.33","OB_score": "NA","CAS_id": "147850-86-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7315","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,7-dihydroxy-1,8-dimethyl-4-vinylphenanthrene
{"Ingredient_id": "HBIN013930","Ingredient_name": "9,10-dihydro-2,7-dihydroxy-1,8-dimethyl-4-vinylphenanthrene","Alias": "NA","Ingredient_formula": "C18H18O2","Ingredient_Smile": "NA","Ingredient_weight": "266.33","OB_score": "NA","CAS_id": "144106-78-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7311","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,8-dihydroxy-1,6-dimethyl-5-vinylphenanthrene
{"Ingredient_id": "HBIN013932","Ingredient_name": "9,10-dihydro-2,8-dihydroxy-1,6-dimethyl-5-vinylphenanthrene","Alias": "NA","Ingredient_formula": "C18H18O2","Ingredient_Smile": "NA","Ingredient_weight": "266.33","OB_score": "NA","CAS_id": "144106-79-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7309","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2-hydroxy-7-(hydroxymethyl)-1-methyl-5-vinylphenanthrene
{"Ingredient_id": "HBIN013935","Ingredient_name": "9,10-dihydro-2-hydroxy-7-(hydroxymethyl)-1-methyl-5-vinylphenanthrene","Alias": "NA","Ingredient_formula": "C18H18O2","Ingredient_Smile": "NA","Ingredient_weight": "266.33","OB_score": "NA","CAS_id": "199597-51-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7306","PubChem_id": "NA","DrugBank_id": "NA"}
bisbenzopyran
{"Ingredient_id": "HBIN018605","Ingredient_name": "bisbenzopyran","Alias": "PR-D 92","Ingredient_formula": "C18H18O2","Ingredient_Smile": "C1C(COC2=CC=CC=C21)C3CC4=CC=CC=C4OC3","Ingredient_weight": "266.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21026","PubChem_id": "101245403","DrugBank_id": "NA"}
