Exact Mass: 302.16035439999996
Exact Mass Matches: 302.16035439999996
Found 500 metabolites which its exact mass value is equals to given mass value 302.16035439999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Masoprocol
Masoprocol is the meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. It has a role as an antineoplastic agent, a lipoxygenase inhibitor, a hypoglycemic agent and a metabolite. Masoprocol is a natural product found in Larrea divaricata, Schisandra chinensis, and Larrea tridentata with data available. Masoprocol is a naturally occurring antioxidant dicatechol originally derived from the creosote bush Larrea divaricatta with antipromoter, anti-inflammatory, and antineoplastic activities. Masoprocol directly inhibits activation of two receptor tyrosine kinases (RTKs), the insulin-like growth factor receptor (IGF-1R) and the c-erbB2/HER2/neu receptor, resulting in decreased proliferation of susceptible tumor cell populations. This agent may induce apoptosis in susceptible tumor cell populations as a result of disruption of the actin cytoskeleton in association with the activation of stress activated protein kinases (SAPKs). In addition, masoprocol inhibits arachidonic acid 5-lipoxygenase (5LOX), resulting in diminished synthesis of inflammatory mediators such as prostaglandins and leukotrienes. It may prevent leukocyte infiltration into tissues and the release of reactive oxygen species. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. Masoprocol, also known as actinex or meso-ndga, belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety. Symptoms of overdose or allergic reaction include bluish coloration of skin, dizziness, or feeling faint, wheezing or trouble in breathing. Masoprocol also inhibits prostaglandins but the significance of this action is not yet known. Masoprocol is a drug which is used for the treatment of actinic keratoses (precancerous skin growths that can become malignant if left untreated). It also serves as an antioxidant in fats and oils. Masoprocol is a potentially toxic compound. It is not known exactly how masoprocol works. Although the exact mechanism of action is not known, studies have shown that masoprocol is a potent 5-lipoxygenase inhibitor and has antiproliferative activity against keratinocytes in tissue culture, but the relationship between this activity and its effectiveness in actinic keratoses is unknown. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4658; ORIGINAL_PRECURSOR_SCAN_NO 4657 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4580; ORIGINAL_PRECURSOR_SCAN_NO 4576 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4548 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4643; ORIGINAL_PRECURSOR_SCAN_NO 4642 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4651; ORIGINAL_PRECURSOR_SCAN_NO 4650 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4591; ORIGINAL_PRECURSOR_SCAN_NO 4587 Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor.
Enterodiol
Enterodiol is one of the most important lignan-type phytoestrogens identified in serum, urine, bile and seminal fluids of humans and animals. Phytoestrogens are a diverse group of compounds found in many edible plants that have, as their common denominator, a phenolic group that they share with estrogenic steroids. This phenolic group appears to play an important role in determining the estrogenic agonist/antagonistic properties of these compounds. Phytoestrogens have been categorized according to their chemical structures as isoflavones, lignans and coumestans. Enterodiol is formed by bacteria in the intestinal tract from the plant lignans matairesinol and secoisolariciresinol, which exist in various whole-grain cereals (barley, rye and wheat), seeds, nuts, legumes and vegetables. (PMID: 12270221, J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Sep 25;777(1-2):289-309.) [HMDB]. Enterodiol is a biomarker for the consumption of soy beans and other soy products. Enterodiol is one of the most important lignan-type phytoestrogens identified in serum, urine, bile, and seminal fluids of humans and animals. Phytoestrogens are a diverse group of compounds found in many edible plants that have, as their common denominator, a phenolic group that they share with estrogenic steroids. This phenolic group appears to play an important role in determining the estrogenic agonist/antagonistic properties of these compounds. Phytoestrogens have been categorized according to their chemical structures as isoflavones, lignans, and coumestans. Enterodiol is formed by bacteria in the intestinal tract from the plant lignans matairesinol and secoisolariciresinol, which exist in various whole-grain cereals (barley, rye, and wheat), seeds, nuts, legumes, and vegetables (PMID: 12270221, J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Sep 25;777(1-2):289-309.). Enterodiol is a biomarker for the consumption of soy beans and other soy products. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
Glycerol tributanoate
Flavouring agent. Glycerol tributanoate is found in many foods, some of which are durian, canola, conch, and italian sweet red pepper. C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer Glycerol tributanoate is a flavouring agent
Nicofetamide
C20H18N2O (302.14190579999996)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AC - Synthetic antispasmodics, amides with tertiary amines
prosolanapyrone III
Arginylglutamine
Arginylglutamine is a dipeptide composed of arginine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Verimol D
Verimol E is found in fruits. Verimol E is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol E is found in fruits.
Phenylalanylhistidine
Phenylalanylhistidine is a dipeptide composed of phenylalanine and histidine. 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.
Histidylphenylalanine
Histidylphenylalanine is a dipeptide composed of histidine 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.
Glutaminylarginine
Glutaminylarginine is a dipeptide composed of glutamine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
6-Ketoestriol
6-Ketoestriol is a normal human metabolite that is in elevated concentration in the urine of patients with prolactinoma. (PMID 9812172) [HMDB] 6-Ketoestriol is a normal human metabolite that is in elevated concentration in the urine of patients with prolactinoma. (PMID 9812172).
Neuromedin B (1-3)
NMB acts by binding to its high affinity cell surface receptor, neuromedin B receptor (NMBR). This receptor is a G protein-coupled receptor with seven transmembrane spanning regions, hence the receptor is also denoted as a 7 transmembrane receptor (7-TMR). Upon binding several intracellular signaling pathways are triggered (see Figure 2). Neuromedin B (NMB) is a bombesin-related peptide in mammals. It was originally purified from pig spinal cord, and later shown to be present in human central nervous system and gastrointestinal tract. This structure shows the 1-3 fragment of neuromedin B. NMB acts by binding to its high affinity cell surface receptor, neuromedin B receptor (NMBR). This receptor is a G protein-coupled receptor with seven transmembrane spanning regions, hence the receptor is also denoted as a 7 transmembrane receptor (7-TMR). Upon binding several intracellular signaling pathways are triggered (see Figure 2).; Neuromedin B (NMB) is a bombesin-related peptide in mammals. It was originally purified from pig spinal cord, and later shown to be present in human central nervous system and gastrointestinal tract.
Arginyl-Gamma-glutamate
Arginyl-Gamma-glutamate is a dipeptide composed of arginine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Garcinia lactone dibutyl ester
Garcinia lactone dibutyl ester is found in fruits. Garcinia lactone dibutyl ester is a constituent of the fruit of Garcinia atroviridis (gelugor). Constituent of the fruit of Garcinia atroviridis (gelugor). Garcinia lactone dibutyl ester is found in fruits.
2,3-Bis(3-hydroxybenzyl)butane-1,4-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
DL-Valine-4-antipyrineamide
Emivirine
C17H22N2O3 (302.16303419999997)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
trichostatin A
C17H22N2O3 (302.16303419999997)
7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-3,5-dienamide
C17H22N2O3 (302.16303419999997)
3-isobutyrylamino-1-phenethyl-piperidine-2,6-dione
C17H22N2O3 (302.16303419999997)
(2alpha,3beta,5alpha)-2-(acetyloxy)-9-methoxy-5-(methoxycarbonyl)-2,3-dimethylheptano-5-lactone|rel-(2R,4R,5S)-2-(acetyloxy)tetrahydro-2-(1-methoxyethyl)-4,5-dimethyl-6-oxo-2H-pyran-2-carboxylic acid methyl ester
2,2,7-Trimethyl-5-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid
2,3-Dihydro-2,2-dimethyl-6-acetyl-8-(1-hydroxy-3-methyl-2-butenyl)chromone
(-)-1,12-diacetoxy-tetradeca-4t,6t-diene-8,10-diyne|Di-Ac-4,6-Tetradecadiene-8,10-diyne-1,12-diol|Tetradeca-4,6-dien-8,10-diin-1,12-diol-diacetat
(1-Isomer,3-hydroxy-5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-(3-hydroxy-3-methyl-1E-butenyl)-benzofuran
2-(or 3)-Methylbutanoyl-6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran
14-hydroxy-13-methoxy-8,11,13-podocarpatriene-3,7-dione
(1aS*,1bS*,7aS*,8aS*)-4,5-dimethoxy-1a,7a-dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphthalene-3,6-dione
6-acetyl-2,2-dimethyl-8-(3-hydroxy-3-methyl-1E-butenyl)-chromanone
(6aS*,10aS*)-5,6a,9,9-tetramethyl-3,4,6a,7,9,10a-hexahydrocyclopenta[d][8,10]dioxono[g]isochromen-1(6H)-one|applanatine D
2-(4-methyl-3-pentenyl)-7-hydroxy-2,5-dimethyl-2H-chromene-6-carboxylic acid|anthopogochromenic acid
3,5-dihydroxy-2,5-dimethoxy-2,6-dimethyl bibenzyl|stilbostemin Y
geranil-3(10)-en-9-carboxyl-beta-arabinopyranoside|geranilenyl carboxy arabinoside
cis,cis-4,5-didehydro-siphonochalynol|Dehydrosiphonochalynol|docosa-4c,19c-diene-2,9,11,13,21-pentayn-1-ol
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)alpha-methylbutyrate
pyxidatol A|rel-(1R,2R,2aS,3S,4R,4aS,7aR,7bR)-decahydro-3-(hydroxymethyl)-6,6,7b-trimethyl-2aH-cyclobut[e]indene-1,2,2a,3,4-pentol
5-Acetyl-2-(2-hydroxyisopropyl)-7-(3-methylbutenoyl)benzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-isovalerylbenzofuran
Di-Et ester-2,4,6,8,10,12-Tetradecahexaene-1,14-dioic,acid
(6E,12E)-tetradeca-6,12-diene-8,10-diyne-1,3-diol diacetate|(6E,12E)-tetradecadiene-8,10-diyne-1,3-diol diacetate|1,3-diacetoxy-tetradeca-6E,12E-diene-8,10-diyne|Di-Ac-6,12-Tetradecadiene-8,10-diyne-1,3-diol
1-[2,2-Dimethyl-5,7-dihydroxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-8-yl]ethanone
(+)-miliusane VIII|1beta-(2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6,9-trione
(rel-2S,10aR)-2,8-dihydroxy-6-methylxy-1,1,7-trimethyl-2,3,10,10a-tetrahydrp-1H-phenanthren-9-one
4-Dimethylamino-tritylamin|4-dimethylamino-tritylamine|alpha-Amino-4-dimethylamino-triphenylmethan
7-(E)-but-2-enyl-3,4-dihydro-6,8-dihydroxy-(3R)-pent-3-(E)-enylisochromen-1-one
3-hydroxy-5,2,4-trimethoxy-2-methyl bibenzyl|stilbostemin U
<1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethyl>-2-methylacrylat|[1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethyl]-2-methylacrylat
3,5-dihydroxy-2,4-dimethoxy-2,6-dimethyl bibenzyl|stilbostemin X
13-methoxy-8,12-podcarpadiene-2,11,14-trione|13-Methoxy-8,12-podocarpadiene-2,11,14-trione
6beta-propionyloxy-1(10)-dehydrofuroeremophil-9-one|6beta-propionyloxy-1,10-dehydrofuranoeremophil-9-one
Nordihydroguaiaretic_acid
Nordihydroguaiaretic acid is a tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the meso-form found in the leaves of the creosote bush (Larrea divaricata), is a potent lipoxygenase inhibitor. It has a role as an antioxidant, a plant metabolite, a ferroptosis inhibitor and a geroprotector. It is a member of catechols, a tetrol and a lignan. Nordihydroguaiaretic acid is a natural product found in Arabidopsis thaliana, Schisandra chinensis, and other organisms with data available. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor.
Nordihydroguaiaretic Acid
A tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the meso-form found in the leaves of the creosote bush (Larrea divaricata), is a potent lipoxygenase inhibitor. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 1.073 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.074 Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor.
4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
C18H22O4_2-(5-Acetyl-2,3-dihydro-1-benzofuran-2-yl)-2-propen-1-yl 3-methylbutanoate
Enterodiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Annotation level-1
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
2-(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-enyl 3-methylbutanoate
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based on: CCMSLIB00000848599]
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based: Match]
butyrin
A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid. C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer
Ala Ala Ala Ala
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-
C17H22N2O3 (302.16303419999997)
Trichostatin A
C17H22N2O3 (302.16303419999997)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Trichostatin A (TSA) is a potent and specific inhibitor of HDAC class I/II, with an IC50 value of 1.8 nM for HDAC[1].
6-Ketoestriol
A 3-hydroxy steroid that is estriol carrying an oxo group at position 6.
α-hydroxy Farnesyl Phosphonic Acid
Arg-GLN
A dipeptide formed from L-arginyl and L-glutamine residues.
Phe-his
A dipeptide composed of L-phenylalanine and L-histidine joined by a peptide linkage.
ascr#3
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,8R)-8-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#2, ascr#4, and ascr#8 in male attraction.
oscr#3
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-9-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
Pyrimido[1,2-a]benzimidazol-4-amine, 2-methyl-N-[(4-methylphenyl)methyl]- (9CI)
tert-butyl 4-(1H-indazol-5-yl)piperazine-1-carboxylate
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
1-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4-piperidine]
C17H22N2O3 (302.16303419999997)
6,8-di(tert-butyl)-4-oxo-4h-chromene-2-carboxylic acid
Cyclizine Hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(3-Cyano-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
2-({2,2-Bis[(oxiran-2-ylmethoxy)methyl]butoxy}methyl)oxirane
TERT-BUTYL 2-((4R,6S)-6-(ACETOXYMETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
4-Methyl-2-oxo-2H-chromen-7-yl octanoate
4-Methylumbelliferyl octanoate is a octoate. 4-Methylumbelliferyl octanoate can be used as a s ubstrate of hog pancreatic lipase[1].
3-(1-benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-methyl-1h-indole
(S)-BENZYL 2-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE-1-CARBOXYLATE
C17H22N2O3 (302.16303419999997)
6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-T-BUTYLDIMETHYSILYLOXY-2-NAPHTHALENEBORONIC ACID
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
Neticonazole
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives C254 - Anti-Infective Agent > C514 - Antifungal Agent
Benzyl 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
C17H22N2O3 (302.16303419999997)
pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanone
1-(4-AMINO-3-METHOXYPHENYL)-1-ETHANONE
C20H18N2O (302.14190579999996)
Desipramine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors
(3aR,6S,6aR)-6-({[Dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)- 2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferr ed name)
C14H26O5Si (302.15494259999997)
2-[1-(3-fluorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-fluoro-, 1,1-dimethylethyl ester
ethyl 2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
(4R-Cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-aceticacid,1,1-dimethylethylester
1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-[tris(1-methylethyl)silyl]-
TERT-BUTYL 4-(IMIDAZO[1,2-A]PYRIDIN-5-YL)PIPERAZINE-1-CARBOXYLATE
tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
Tandamine
C18H26N2S (302.18165960000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Safinamide
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
1-Cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
3-[(2S)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one
C17H22N2O3 (302.16303419999997)
tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
(+)-(3Ar,4R,5R,6as)-hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one
(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
C14H26O5Si (302.15494259999997)
Pyrimido[1,2-a]benzimidazol-4-amine, N-(4-ethylphenyl)-2-methyl- (9CI)
tert-Butyl 4-(1H-indazol-3-yl)piperazine-1-carboxylate
tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate
(s)-1-[(r)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-piperazine
3-BENZYL-N-HYDROXY-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXIMIDAMIDE
aluminum di(sec-butoxide)acetoacetic ester chelate
C14H27AlO5 (302.16738019999997)
1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine monoacetate
tert-butyl (1r,3r)-1-(4-cyanophenyl)-3-hydroxy-3-MethylcyclobutylcarbaMate
C17H22N2O3 (302.16303419999997)
2,2,2,2-[[(1S)-1-Methyl-1,2-ethanediyl]dinitrilo]tetrakisacetamide
(E)-ethyl 3-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylate
(E)-Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylate
(R)-Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
C17H22N2O3 (302.16303419999997)
7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
C17H22N2O3 (302.16303419999997)
Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-
N-(4-morpholinobutyl)benzofuran-2-carboxamide
C17H22N2O3 (302.16303419999997)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
(2E)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]non-2-enoic acid
4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-2H-chromen-2-one
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic Acid
2-[(E)-(4-methylpiperazino)methyleneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
N~2~,N~2~,N~4~,N~4~-Tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Masoprocol
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3].
Emivirine
C17H22N2O3 (302.16303419999997)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Actinex
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3].
5-Hydroxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanamide
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid
4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol
7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-3,5-dienamide
C17H22N2O3 (302.16303419999997)
[3-carboxy-2-[(E)-6-carboxyhex-4-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
[3-carboxy-2-[(E)-6-carboxyhex-2-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
[3-carboxy-2-[(E)-3-carboxy-4-methylpent-2-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
C17H22N2O3 (302.16303419999997)
5-(3,3-Dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one
6-(1,4,5,7-Tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
C17H22N2O3 (302.16303419999997)
3-[(3,3-dimethyl-1-oxobutyl)amino]-1H-indole-2-carboxylic acid ethyl ester
C17H22N2O3 (302.16303419999997)
(4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
C20H18N2O (302.14190579999996)
1-[2-[2-(2-Methoxy-6-prop-2-enylphenoxy)ethoxy]ethyl]imidazole
C17H22N2O3 (302.16303419999997)
(4Br,8aS)-3-hydroxy-4b,8,8-trimethyl-7-oxo-6,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid
4-(1-Hydroxy-3-phenylpropyl)-5-methoxy-2,6-dimethylbenzene-1,3-diol
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl dihydrogen phosphate
(2S,10aS)-2-hydroxy-6,7-dimethoxy-1,1-dimethyl-2,9,10,10a-tetrahydrophenanthren-3-one
N-(1,2-Diphenylethyl)nicotinamide
C20H18N2O (302.14190579999996)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AC - Synthetic antispasmodics, amides with tertiary amines
2,3-Bis(3-hydroxybenzyl)butane-1,4-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
Phe-His zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-His. Major species at pH 7.3.
(2E,6E)-farnesyl monophosphate
A member of the class of farnesyl phosphates that is the monophosphatr derivative of (2E,6E)-farnesol
RO-3
RO-3 is a potent, CNS-penetrant, and orally active P2X3 and P2X2/3 antagonist with pIC50s of 5.9 and 7.0 for human homomultimeric P2X3 and heteromultimeric P2X2/3 receptors, respectively. RO-3 shows selectivity for P2X3 and P2X2/3 over all other functional homomultimeric P2X receptors (IC50 >10?μM at P2X1,2,4,5,7)[1].
Tripeptide-32
Tripeptide-32isa bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].
[(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]methyl acetate
1-(acetyloxy)tetradeca-6,12-dien-8,10-diyn-3-yl acetate
(1s,2r,4r,9s)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-10,12-dien-4-yl acetate
C17H22N2O3 (302.16303419999997)
{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-3-{[(2r)-1-hydroxypropan-2-yl]imino}-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
2-(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-en-1-yl 2-methylbutanoate
(1r,5r)-1-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-2-oxaspiro[4.5]dec-7-ene-3,6,9-trione
(5r,8r)-5-ethenyl-2,3-dimethoxy-5-methyl-8-(prop-1-en-2-yl)-7,8-dihydro-6h-naphthalene-1,4-dione
(6as,9s)-9-ethenyl-6,6,9-trimethyl-5h,6ah,7h,8h-indeno[2,1-b]indole-10-carbonitrile
9-ethenyl-6,6,9-trimethyl-5h,6ah,7h,8h-indeno[2,1-b]indole-10-carbonitrile
(2e,4e)-5-[(6r,8r)-6-hydroxy-2-(hydroxymethyl)-6,8-dimethyl-7,8-dihydro-5h-naphthalen-1-yl]penta-2,4-dienoic acid
1-{9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7(12),8,10-trien-8-yl}ethanone
1-[4-hydroxy-3-(3-methylbut-2-enoyl)phenyl]ethyl (2z)-2-methylbut-2-enoate
(2s,3r)-3-hydroxy-2-{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-(methylimino)cyclohex-1-en-1-yl]amino}butanoic acid
2-[(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]oxane-3,4,5-triol
1-[7-(3-hydroxy-3-methylbut-1-en-1-yl)-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone
5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-en-1-yl)chromene-6-carboxylic acid
{9-methoxy-4,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-3-yl}methyl acetate
(6s,7r)-6-ethenyl-2,3-dimethoxy-6-methyl-7-(prop-1-en-2-yl)-7,8-dihydro-5h-naphthalene-1,4-dione
n-[(3s)-2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylpropanimidic acid
C17H22N2O3 (302.16303419999997)
(1s,9s,12r,14s)-3-hydroxy-5,9,13,13-tetramethyl-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2(7),3,5-triene-4-carboxylic acid
6-benzyl-3-isopropyl-1,4-dimethyl-1,4-diazepane-2,5,7-trione
C17H22N2O3 (302.16303419999997)
(2e,4e,6r)-7-[4-(dimethylamino)phenyl]-6-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),2,8-trien-7-one
2-[(2r)-5-acetyl-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl 2-methylbutanoate
13-methoxy-8,12-podocarpadiene-2,11,14-trione
{"Ingredient_id": "HBIN001256","Ingredient_name": "13-methoxy-8,12-podocarpadiene-2,11,14-trione","Alias": "NA","Ingredient_formula": "C18H22O4","Ingredient_Smile": "CC1(CC(=O)CC2(C1CCC3=C2C(=O)C=C(C3=O)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14066","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13-o-acetylbaptifoline
C17H22N2O3 (302.16303419999997)
{"Ingredient_id": "HBIN001269","Ingredient_name": "13-o-acetylbaptifoline","Alias": "NA","Ingredient_formula": "C17H22N2O3","Ingredient_Smile": "CC(=O)OC1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "329","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1as*,1bs*,7as*,8as*)-4,5-dimethoxy-1a,7a-dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b ]naphthalene-3,6-dione
{"Ingredient_id": "HBIN002330","Ingredient_name": "(1as*,1bs*,7as*,8as*)-4,5-dimethoxy-1a,7a-dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b ]naphthalene-3,6-dione","Alias": "NA","Ingredient_formula": "C18H22O4","Ingredient_Smile": "CC12CC3CC3(C1CC4=C(C2)C(=O)C(=C(C4=O)OC)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6220","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,12-tetradecadiene-8,10-diyne-1,3-diol; (e,e)-form,di-ac
{"Ingredient_id": "HBIN012004","Ingredient_name": "6,12-tetradecadiene-8,10-diyne-1,3-diol; (e,e)-form,di-ac","Alias": "NA","Ingredient_formula": "C18H22O4","Ingredient_Smile": "NA","Ingredient_weight": "302.36","OB_score": "NA","CAS_id": "89913-46-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7625","PubChem_id": "NA","DrugBank_id": "NA"}
acanthoine
{"Ingredient_id": "HBIN014343","Ingredient_name": "acanthoine","Alias": "NA","Ingredient_formula": "C16H22N4O2","Ingredient_Smile": "COC1=C(C=C(C=C1)C=CC(C=CCN=CN)N=CN)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "81","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
(2s,3s)-3-hydroxy-2-{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-(methylimino)cyclohex-1-en-1-yl]amino}butanoic acid
2-hydroxy-2-methyl-n-[(2s)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanimidic acid
C17H22N2O3 (302.16303419999997)
(8as,10ar)-2,3-dimethoxy-8a-methyl-5-methylidene-6,7,8,9,10,10a-hexahydroanthracene-1,4-dione
3-hydroxy-2-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-(methylimino)cyclohex-1-en-1-yl]amino}butanoic acid
(3r)-7-[(2e)-but-2-en-1-yl]-6,8-dihydroxy-3-[(3e)-pent-3-en-1-yl]-3,4-dihydro-2-benzopyran-1-one
2-[(1r)-1-phenylethyl]-6-[(1s)-1-phenylethyl]phenol
{[(5s)-5-hydroxy-5-(hydroxymethyl)-3-{[(2s)-2-hydroxypropyl]imino}-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
(1r,9s)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-10,12-dien-4-yl acetate
C17H22N2O3 (302.16303419999997)
(5s,7s)-9-methoxy-3,5,7-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-4-yl acetate
6-acetyl-8-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-2,2-dimethyl-3h-1-benzopyran-4-one
2-methoxy-4b,8,8-trimethyl-7,8a,9,10-tetrahydro-5h-phenanthrene-1,4,6-trione
{3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl}methyl acetate
(2e,4e,6r)-6-hydroxy-n,4,6-trimethyl-7-[4-(methylamino)phenyl]-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
4-hydroxy-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1-sulfonic acid
{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-3-{[(2s)-2-hydroxypropyl]imino}-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
6-acetyl-8-(3-hydroxy-3-methylbut-1-en-1-yl)-2,2-dimethyl-3h-1-benzopyran-4-one
7-(but-2-en-1-yl)-6,8-dihydroxy-3-(pent-3-en-1-yl)-3,4-dihydro-2-benzopyran-1-one
6-[(1s,2r,4as,8as)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
7-[(4,5-dihydroxyhex-2-enoyl)oxy]-4-hydroxyoct-2-enoic acid
methyl 5-(acetyloxy)-2-(1-methoxyethyl)-4,5-dimethyl-6-oxooxane-2-carboxylate
2-amino-5-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}pentanoic acid
3-(hydroxymethyl)-6,6,7b-trimethyl-hexahydro-1h-cyclobuta[e]indene-1,2,2a,3,4-pentol
1-(2,6-dimethylhepta-1,5-dien-1-yl)-2-oxaspiro[4.5]dec-7-ene-3,6,9-trione
(3r,4r,6r,8r)-12,13-dimethoxy-4,8-dimethyltetracyclo[8.4.0.0³,⁸.0⁴,⁶]tetradeca-1(10),12-diene-11,14-dione
12,13-dimethoxy-4,8-dimethyltetracyclo[8.4.0.0³,⁸.0⁴,⁶]tetradeca-1(10),12-diene-11,14-dione
(4s,4ar,5s)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl propanoate
{[5-hydroxy-5-(hydroxymethyl)-3-[(1-hydroxypropan-2-yl)imino]-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
4-methoxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxopyran-3-carbaldehyde
n-hydroxy(2e,4e)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
(6z)-3-isopropyl-6-{[5-(2-methylbut-3-en-2-yl)-1h-imidazol-4-yl]methylidene}-3h-pyrazine-2,5-diol
(2r,3r,4s,5s)-2-{[(2e,4s)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol
2-(2,2-dimethylchromen-6-yl)-2-oxoethyl 3-methylbutanoate
{[5-hydroxy-5-(hydroxymethyl)-3-[(1-hydroxypropan-2-yl)amino]-2-methoxycyclohex-2-en-1-ylidene]amino}acetic acid
6-hydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
(11s,16s)-2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),2,8-trien-7-one
2,3-dimethoxy-8a-methyl-5-methylidene-6,7,8,9,10,10a-hexahydroanthracene-1,4-dione
2-[(1r)-1-phenylethyl]-4-[(1s)-1-phenylethyl]phenol
1-[(1s,4r,13s)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7,9,11-trien-10-yl]ethanone
(2e)-4,5,6-trihydroxy-6-[4-(hydroxymethyl)cyclohexyl]-2-methylhept-2-enoic acid
1-{9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7,9,11-trien-10-yl}ethanone
3-amino-n-(2-{[2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl)propanimidic acid
4-(3,3-dimethyloxiran-2-yl)-2-methylindolo[2,3-a]quinolizine
C20H18N2O (302.14190579999996)
(1s,3as,4r,8as)-4-hydroxy-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1-sulfonic acid
2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl (7r)-7-hydroxyoct-2-enoate
14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-10,12-dien-4-yl acetate
C17H22N2O3 (302.16303419999997)
6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)chromen-4-yl acetate
9-methoxy-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-6-yl acetate
7-[4-(dimethylamino)phenyl]-6-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
5-hydroxy-4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}pentanimidic acid
(4as,10ar)-6-hydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
(6as,10ar)-1-hydroxy-3,6,6,9-tetramethyl-6ah,7h,8h,10ah-benzo[c]isochromene-4-carboxylic acid
1-[(1s,4r,13s)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7(12),8,10-trien-8-yl]ethanone
(1r,2r,2as,3s,4r,4as,7ar,7br)-3-(hydroxymethyl)-6,6,7b-trimethyl-hexahydro-1h-cyclobuta[e]indene-1,2,2a,3,4-pentol
7-methyl-1,3-bis(3-methylbut-2-en-1-yl)purine-2,6-dione
(2s,10as)-2,8-dihydroxy-6-methoxy-1,1,7-trimethyl-2,3,10,10a-tetrahydrophenanthren-9-one
6-ethenyl-2,3-dimethoxy-6-methyl-7-(prop-1-en-2-yl)-7,8-dihydro-5h-naphthalene-1,4-dione
4-[(2r,3r)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
(4bs,8as)-2-methoxy-4b,8,8-trimethyl-7,8a,9,10-tetrahydro-5h-phenanthrene-1,4,6-trione
2-hydroxy-2-methyl-n-{1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl}propanimidic acid
C17H22N2O3 (302.16303419999997)
3,4-dihydroxy-5-isopropyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one
(1s,9s,12r,14s)-5-hydroxy-3,9,13,13-tetramethyl-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2(7),3,5-triene-4-carboxylic acid
[(5s)-9-methoxy-4,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-3-yl]methyl acetate
4-[(2r)-3,3-dimethyloxiran-2-yl]-2-methylindolo[2,3-a]quinolizine
C20H18N2O (302.14190579999996)
(4e,6e,12s)-12-(acetyloxy)tetradeca-4,6-dien-8,10-diyn-1-yl acetate
(1r,8s,10r)-3,4-dihydroxy-5-isopropyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one
(1r,4s)-4-hydroxy-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1-sulfonic acid
(2s)-5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-en-1-yl)chromene-6-carboxylic acid
1-{7-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl}ethanone
2-[(2s)-5-acetyl-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl (2r)-2-methylbutanoate
6-acetyl-8-[(1s)-1-hydroxy-3-methylbut-2-en-1-yl]-2,2-dimethyl-3h-1-benzopyran-4-one
(1s,2r,4s,6s,7s,9s,10r,11r)-2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.0²,⁷.0⁷,¹¹]tridecane-4,10-diol
6-hydroxy-n,4,6-trimethyl-7-[4-(methylamino)phenyl]-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
n-(2-{3-[(1-hydroxyethylidene)amino]propanoyl}phenyl)-2,2-dimethylbut-3-enimidic acid
C17H22N2O3 (302.16303419999997)
6-acetyl-8-(1-hydroxy-3-methylbut-2-en-1-yl)-2,2-dimethyl-3h-1-benzopyran-4-one
(1s,2s,5s,6s,7r,8s,9r,12r)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecane-2,5,7,8,12-pentol
9-methoxy-3,5,7-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-4-yl acetate
3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl propanoate
(6r,7r)-6-ethenyl-2,3-dimethoxy-6-methyl-7-(prop-1-en-2-yl)-7,8-dihydro-5h-naphthalene-1,4-dione
2,8-dihydroxy-6-methoxy-1,1,7-trimethyl-2,3,10,10a-tetrahydrophenanthren-9-one
5-hydroxy-6-isopropyl-3-{[5-(2-methylbut-3-en-2-yl)-1h-imidazol-4-yl]methylidene}-1,6-dihydropyrazin-2-one
(5r,6r)-9-methoxy-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-6-yl acetate
12-(acetyloxy)tetradeca-4,6-dien-8,10-diyn-1-yl acetate
n-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylpropanimidic acid
C17H22N2O3 (302.16303419999997)
5-[6-hydroxy-2-(hydroxymethyl)-6,8-dimethyl-7,8-dihydro-5h-naphthalen-1-yl]penta-2,4-dienoic acid
n-hydroxy(2e,4e,6r)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)