Exact Mass: 302.13520400000004
Exact Mass Matches: 302.13520400000004
Found 500 metabolites which its exact mass value is equals to given mass value 302.13520400000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cumyluron
Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
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
Odoratol
A member of the class of dihydrochalcones that is dihydrochalcone substituted by a hydroxy group at position 2, methoxy groups at positions 4 and 4 and a hydroxy group at position alpha- to the ketonic group.
Lotisoflavan
A hydroxyisoflavan that is isoflavan substituted by hydroxy groups at positions 2 and 4 and methoxy groups at positions 5 and 7 respectively.
(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan
(±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is found in common bean. (±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is isolated from Astragalus gummifer (tragacanth Isolated from Astragalus gummifer (tragacanth). (±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is found in common bean, yellow wax bean, and green bean.
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
Isomucronulatol
Isomucronulatol is an ether and a member of flavonoids. Isomucronulatol is a natural product found in Gliricidia sepium, Wisteria brachybotrys, and other organisms with data available. Isolated from Glycyrrhiza glabra (licorice). Isomucronulatol is found in many foods, some of which are tea, yellow wax bean, green bean, and common bean. Isomucronulatol is found in common bean. Isomucronulatol is isolated from Glycyrrhiza glabra (licorice). Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1]. Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1].
(±)-Sphaerosin
Isolated from Lablab niger (hyacinth bean). (±)-Sphaerosin is found in many foods, some of which are hyacinth bean, yellow wax bean, pulses, and common bean. (±)-Sphaerosin is found in common bean. (±)-Sphaerosin is isolated from Lablab niger (hyacinth bean).
2',7-Dihydroxy-4',6-dimethoxyisoflavan
2,7-Dihydroxy-4,6-dimethoxyisoflavan is found in pulses. 2,7-Dihydroxy-4,6-dimethoxyisoflavan is isolated from cultures of Fusarium solani growing on Pisum sativum (pea). Isolated from cultures of Fusarium solani growing on Pisum sativum (pea). 2,7-Dihydroxy-4,6-dimethoxyisoflavan is found in pulses and common pea.
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.
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).
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.
3'-Hydroxy-3,4,5,4'-tetramethoxystilbene
3-Hydroxy-3,4,5,4-tetramethoxystilbene is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2,3-Bis(3-hydroxybenzyl)butane-1,4-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
Gutenbergin
4,7-Dihydorxy-2,3,6-trimethoxy-9,10-dihydrophenanthrene
2,7-Dihydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthrene
6,7-Dihydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene
4-[formyl(6-methoxyquinolin-8-yl)amino]pentanoic acid
3-[4-methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionic acid|3-[4-Methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenmethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionsaeure
(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
(1S,5S,8S)-5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-1-methylbicyclo[3.3.1]non-3-ene-2,9-dione|tazettone B
6-sec-butyl-3-(4-hydroxy-benzoyl)-5-methoxy-1H-pyrazin-2-one|Septorin
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)alpha-methylbutyrate
3-[4-methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionic acid|3-[4-Methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenmethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionsaeure
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
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
PRI_303.1340_15.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1612
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
6-Ketoestriol
A 3-hydroxy steroid that is estriol carrying an oxo group at position 6.
Phe-his
A dipeptide composed of L-phenylalanine and L-histidine joined by a peptide linkage.
Pyrimido[1,2-a]benzimidazol-4-amine, 2-methyl-N-[(4-methylphenyl)methyl]- (9CI)
(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
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
1-[2-AMINO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
C14H17F3N2O2 (302.12420579999997)
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].
1-Benzyl-2-(difluoro(phenoxy)Methyl)-4,5-dihydro-1H-imidazole
C17H16F2N2O (302.12306299999995)
methanesulfonic acid,4-phenylmethoxycyclohexan-1-ol
C14H22O5S (302.11878820000004)
6-T-BUTYLDIMETHYSILYLOXY-2-NAPHTHALENEBORONIC ACID
4,4,5,5-TETRAMETHYL-2-[2-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL]-[1,3,2]DIOXABOROLANE
C14H18BF3O3 (302.13010240000006)
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
3-o-acetyl-1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
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
4,4,5,5-Tetramethyl-2-(3-methyl-5-(trifluoromethoxy)-phenyl)-1,3,2-dioxaborolane
C14H18BF3O3 (302.13010240000006)
4-(trifluoromethoxy)benzylboronic acid pinacol ester
C14H18BF3O3 (302.13010240000006)
2-(4-METHOXY-2-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C14H18BF3O3 (302.13010240000006)
2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone
(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
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl] acetate
(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-fluoro-, 1,1-dimethylethyl ester
1-decyl-3-methylimidazol-3-ium,bromide
C14H27BrN2 (302.13574819999997)
[R-(R*,S*)]-(-)-N-(1-PHENYLETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-AMINE DIHYDROCHLORIDE
C15H24Cl2N2 (302.13164439999997)
2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
Safinamide
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzoic acid
C14H17F3N2O2 (302.12420579999997)
(+)-(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)
8-benzyl-2,8-diazaspiro[4.5]decane
C15H24Cl2N2 (302.13164439999997)
tert-butyl 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
C14H17F3N2O2 (302.12420579999997)
Pyrimido[1,2-a]benzimidazol-4-amine, N-(4-ethylphenyl)-2-methyl- (9CI)
3-BENZYL-N-HYDROXY-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXIMIDAMIDE
(3R,5R)-benzyl 3-amino-5-(trifluoromethyl)piperidine-1-carboxylate
C14H17F3N2O2 (302.12420579999997)
(2S,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone hydrochloride
4,4,5,5-TETRAMETHYL-2-[3-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL]-[1,3,2]DIOXABOROLANE
C14H18BF3O3 (302.13010240000006)
Phenol,4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
N2-(1H-Indol-5-yl)-6-(pyridin-4-yl)pyrazine-2,3-diamine
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
4-[(6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-2H-chromen-2-one
4-(dimethylamino)benzaldehyde N-(2-furylmethyl)thiosemicarbazone
C15H18N4OS (302.12012580000004)
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
4-(4-Hydroxy-3-isopropylphenylthio)-2-isopropylphenol
N,N-Diphenylpyrazolo[1,5-A][1,3,5]triazine-2,4-diamine
4-amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-2-ium
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].
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
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
5-(4-Methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
(3S,4R)-4 hydroxy-6,3 dimethoxyisoflavan-4-ol
A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 6 and 3 and hydroxy groups at positions 4 and 4. It has been isolated from Taxus yunnanensis and exhibits inhibitory activity against CYP3A4.
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
1-[4-(4-Aminophenyl)-2-thiazolyl]-4-piperidinecarboxamide
C15H18N4OS (302.12012580000004)
5-(3-indolylidene)-N-(1-methoxypropan-2-yl)-4H-1,3,4-thiadiazin-2-amine
C15H18N4OS (302.12012580000004)
5-(3,3-Dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide
6-(1,4,5,7-Tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline
(S,S,S)-nicotianamine monoanion
C12H20N3O6- (302.13520400000004)
The tricarboxylic acid monoanion that is the conjugate base of (S,S,S)-nicotianamine, resulting from deprotonation of the central carboxy group and zwitterion formation of the other two. One of two major microspecies at physiological pH.
2-[(3,4,8-Trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
2-[[2-(3-Methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester
(4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
C15H18N4OS (302.12012580000004)
N-(7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl)propanamide
3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
C20H18N2O (302.14190579999996)
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide
5-(tert-butyl)-2-methyl-N-(4-nitrophenyl)-3-furamide
(4Br,8aS)-3-hydroxy-4b,8,8-trimethyl-7-oxo-6,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid
5-Hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrouro[2,3-h]chromen-2-one
4-(1-Hydroxy-3-phenylpropyl)-5-methoxy-2,6-dimethylbenzene-1,3-diol
2-(4-ethyl-3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
4-methoxy-2-[2-[5-methoxy-2-(oxidoamino)phenyl]ethyl]-N-oxidoaniline
(2S,10aS)-2-hydroxy-6,7-dimethoxy-1,1-dimethyl-2,9,10,10a-tetrahydrophenanthren-3-one
N-Acetylglycylglycylglycylglycine methyl ester
C11H18N4O6 (302.12262880000003)
3,4-Diethynyl-1,1-dimethyl-2,5-bis(trimethylsilyl)-1-silacyclopenta-2,5-diene
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.
[(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]methyl acetate
(3s,4r)-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3,4-dihydro-2h-1-benzopyran-4-ol
1-(acetyloxy)tetradeca-6,12-dien-8,10-diyn-3-yl acetate
10-(2-hydroxypropan-2-yl)-7-methyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7,9-tetraen-11-yl acetate
{[(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
(1s,2r,4r,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
(1r,5r)-1-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-2-oxaspiro[4.5]dec-7-ene-3,6,9-trione
(3s)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(5r,8r)-5-ethenyl-2,3-dimethoxy-5-methyl-8-(prop-1-en-2-yl)-7,8-dihydro-6h-naphthalene-1,4-dione
(3s)-3-(2-hydroxy-4-methoxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
(2s)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-6-ol
(3r,4s)-3-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-4-ol
(3r)-3-[(4-hydroxyphenyl)methoxy]-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
(4s,4ar,9ar)-3,5,8-trimethyl-2,7-dioxo-4h,4ah,9h,9ah-azuleno[6,5-b]furan-4-yl acetate
(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
(3r,4s)-7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4,6-diol
(2s,3r)-3-hydroxy-2-{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-(methylimino)cyclohex-1-en-1-yl]amino}butanoic acid
4-[5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-diol
1-[7-(3-hydroxy-3-methylbut-1-en-1-yl)-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone
8-hydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)-5-methoxynaphthalene-1,4-dione
5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-en-1-yl)chromene-6-carboxylic acid
(1r,10r)-3,8-dimethyl-13-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-2(6),3,8,12(15)-tetraen-10-yl acetate
{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
(3r)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(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
3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3,4-dihydro-2h-1-benzopyran-4-ol
(2s)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-5-ol
(1s,2r)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl 4-methoxybenzoate
6-hydroxy-7-methoxy-2,3,3,9-tetramethyl-2h-naphtho[1,2-b]furan-4,5-dione
3-[2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol
5,6,7-trihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)heptan-3-yl acetate
(3s)-3-(4-hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(1as,3r,4r,4ar,7s,8as)-7-chloro-3-hydroxy-3,4a,8,8-tetramethyl-hexahydronaphtho[1,8a-b]oxirene-4-carboxylic acid
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
4-[(2s)-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzene-1,2-diol
(3r)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
1-(2-hydroxy-4-methoxyphenyl)-3-(3,4-methyl-enedioxyphenyl)propan-2-ol
{"Ingredient_id": "HBIN000867","Ingredient_name": "1-(2-hydroxy-4-methoxyphenyl)-3-(3,4-methyl-enedioxyphenyl)propan-2-ol","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=CC(=C(C=C1)CC(CC2=CC3=C(C=C2)OCO3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10446","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
(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"}
2-Methoxybenzyl-2,6-dimethoxybenzoate
{"Ingredient_id": "HBIN005905","Ingredient_name": "2-Methoxybenzyl-2,6-dimethoxybenzoate","Alias": "2-methoxybenzyl-2,6-dimethoxybenzoate; 2,6-dimethoxybenzoic acid (2-methoxybenzyl) ester; ZINC07184140; 2,6-dimethoxybenzoic acid (2-methoxyphenyl)methyl ester; (2-methoxyphenyl)methyl 2,6-dimethoxybenzoate","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2OC","Ingredient_weight": "302.32","OB_score": "85.96466993","CAS_id": "81532-10-7","SymMap_id": "SMIT00960","TCMID_id": "13846","TCMSP_id": "MOL012161","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3′-deoxy-4-O-methylepisappanol
{"Ingredient_id": "HBIN008426","Ingredient_name": "3\u2032-deoxy-4-O-methylepisappanol","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1C2=C(C=C(C=C2)O)OCC1(CC3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3R)-5'-Methoxyvestitol
{"Ingredient_id": "HBIN009537","Ingredient_name": "(3R)-5'-Methoxyvestitol","Alias": "(3R)-3-(2-hydroxy-4,5-dimethoxyphenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4,5-dimethoxyphenyl)-7-chromanol; (3r)-5'-methoxyvestitol; (3R)-3-(2-hydroxy-4,5-dimethoxy-phenyl)chroman-7-ol","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC","Ingredient_weight": "302.32 g/mol","OB_score": "83.057719","CAS_id": "NA","SymMap_id": "SMIT05088","TCMID_id": "14096","TCMSP_id": "MOL002939","TCM_ID_id": "NA","PubChem_id": "5319496","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"}
α-2'-dihydroxy-4,4'-dimethoxydihydrochalcone
{"Ingredient_id": "HBIN015326","Ingredient_name": "\u03b1-2'-dihydroxy-4,4'-dimethoxydihydrochalcone","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=CC=C(C=C1)CC(C(=O)C2=C(C=C(C=C2)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5821","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3as,5s,5ar,9ar,9bs)-5a-methyl-3,9-dimethylidene-2,8-dioxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-5-yl acetate
(3s)-3,9-dihydroxy-6,8-dimethoxy-3-methyl-2,4-dihydroanthracen-1-one
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
5-hydroxy-6,8-dimethoxy-2,3-dimethyl-2h,3h-naphtho[2,3-b]pyran-4-one
(8as,10ar)-2,3-dimethoxy-8a-methyl-5-methylidene-6,7,8,9,10,10a-hexahydroanthracene-1,4-dione
ethyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate
2-[3-(2h-1,3-benzodioxol-5-yl)-2-hydroxypropyl]-5-methoxyphenol
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
{[(5s)-5-hydroxy-5-(hydroxymethyl)-3-{[(2s)-2-hydroxypropyl]imino}-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
5,7-dihydroxy-2-methoxy-3-methyl-6-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
4-[(2e)-3-(3-hydroxy-2-methoxyphenyl)prop-2-en-1-yl]-3-methoxybenzene-1,2-diol
(3s)-3-(4-hydroxy-2,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
5,6,7-trimethoxy-9,10-dihydrophenanthrene-2,3-diol
(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
4-[(1e,3r,4r)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
3-[(4-hydroxyphenyl)methoxy]-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
4-[3-(6-methoxy-2h-1,3-benzodioxol-5-yl)propyl]benzene-1,3-diol
4-[(3r)-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-yl]benzene-1,3-diol
methyl (2s,4s,5r)-5-(acetyloxy)-2-[(1r)-1-methoxyethyl]-4,5-dimethyl-6-oxooxane-2-carboxylate
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl acetate
{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-3-{[(2s)-2-hydroxypropyl]imino}-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
(3ar,4s,5as,9ar,9br)-5a-methyl-3,9-dimethylidene-2,8-dioxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-4-yl acetate
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
(2r,3s,4s)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,4-diol
3,5,8-trimethyl-2,7-dioxo-4h,4ah,9h,9ah-azuleno[6,5-b]furan-4-yl acetate
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-(4-hydroxyphenyl)ethyl (3r)-3-hydroxy-3-(4-hydroxyphenyl)propanoate
4-[4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
2-amino-5-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}pentanoic acid
8-(methylamino)-3,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1(19),2,7,9(20),11,13(18),14,16-octaen-6-one
(3r)-3-(2-hydroxy-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
2,4,7-trimethoxy-9,10-dihydrophenanthrene-3,6-diol
(3r,4s)-3-[(4-hydroxyphenyl)methyl]-4-methoxy-2,4-dihydro-1-benzopyran-3,7-diol
(2r)-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl acetate
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
5-hydroxy-7,9-dimethoxy-3,4,5-trimethylnaphtho[2,3-b]furan-8-one
(4s,4ar,5s)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl propanoate
2-methoxy-4-[2-(7-methoxy-2h-1,3-benzodioxol-5-yl)ethyl]phenol
2-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-3,5-dimethoxynaphthalene-1,4-dione
{[5-hydroxy-5-(hydroxymethyl)-3-[(1-hydroxypropan-2-yl)imino]-2-methoxycyclohex-1-en-1-yl]amino}acetic acid
(3ar,4s,5ar,9ar,9br)-5a-methyl-3,9-dimethylidene-2,8-dioxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-4-yl acetate
2-{2-oxo-8h,9h-furo[2,3-h]chromen-8-yl}propan-2-yl propanoate
(3r)-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
4-methoxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxopyran-3-carbaldehyde
(2r,3r,4s,5s)-2,4-bis(4-hydroxyphenyl)oxane-3,5-diol
5-[(1e)-2-[3-hydroxy-4-(2-hydroxyethyl)-5-methoxyphenyl]ethenyl]benzene-1,3-diol
2-(2,2-dimethylchromen-6-yl)-2-oxoethyl 3-methylbutanoate
(1s,7s,8e)-3,8-dimethyl-13-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-2(6),3,8,12(15)-tetraen-7-yl acetate
{[5-hydroxy-5-(hydroxymethyl)-3-[(1-hydroxypropan-2-yl)amino]-2-methoxycyclohex-2-en-1-ylidene]amino}acetic acid
(1s,7z,9r)-3,8-dimethyl-13-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-2(6),3,7,12(15)-tetraen-9-yl acetate
6-hydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
3-acetyl-9a-methyl-6-(prop-1-en-1-yl)-3h,3ah,4h,8h-furo[3,2-g]isochromene-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
1,3,5-trimethoxy-9,10-dihydrophenanthrene-2,7-diol
(6r,7r)-7-hydroxy-1,2-dimethoxy-6-methyl-5,6,7,8-tetrahydroanthracene-9,10-dione
2,3-dimethoxy-8a-methyl-5-methylidene-6,7,8,9,10,10a-hexahydroanthracene-1,4-dione
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
4-(2-methoxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
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
(1r,13r,14r)-8-hydroxy-11-methoxy-5-methyl-15,17-dioxatetracyclo[11.2.2.0¹,¹⁴.0⁷,¹²]heptadeca-4,7(12),8,10-tetraen-16-one
3,4,6-trimethoxy-9,10-dihydrophenanthrene-2,7-diol
4-(3,3-dimethyloxiran-2-yl)-2-methylindolo[2,3-a]quinolizine
C20H18N2O (302.14190579999996)
4-[(2s)-6,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzene-1,2-diol
(2r)-6-hydroxy-7-methoxy-2,3,3,9-tetramethyl-2h-naphtho[1,2-b]furan-4,5-dione
2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl (7r)-7-hydroxyoct-2-enoate
(4ar,5r,6r)-3,4a,5-trimethyl-2,7-dioxo-4h,5h,6h-naphtho[2,3-b]furan-6-yl acetate
6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)chromen-4-yl acetate
(3s,3ar,9ar)-3-acetyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-3h,3ah,4h,8h-furo[3,2-g]isochromene-2,9-dione
(5r)-5-hydroxy-7,9-dimethoxy-3,4,5-trimethylnaphtho[2,3-b]furan-8-one
9-methoxy-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-6-yl acetate
6,9-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
5-hydroxy-4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}pentanimidic acid
3,9-dihydroxy-6,8-dimethoxy-3-methyl-2,4-dihydroanthracen-1-one
4-{[4'-(aminomethyl)-[1,1'-biphenyl]-3-yl]oxy}pyrimidine-2-carbonitrile
7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,4-diol
(4as,10ar)-6-hydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl 4-methoxybenzoate
8-hydroxy-5-(hydroxymethyl)-2-methoxy-8a-methyl-8,9-dihydro-7h-anthracene-1,4-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
5a-methyl-3,9-dimethylidene-2,8-dioxo-3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-5-yl acetate
(2s,10as)-2,8-dihydroxy-6-methoxy-1,1,7-trimethyl-2,3,10,10a-tetrahydrophenanthren-9-one
(8r,8as)-8-hydroxy-5-(hydroxymethyl)-2-methoxy-8a-methyl-8,9-dihydro-7h-anthracene-1,4-dione
3-(2-hydroxy-4-methoxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
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
3-(4-hydroxy-2,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
3,4a,5-trimethyl-2,7-dioxo-4h,5h,6h-naphtho[2,3-b]furan-6-yl acetate
2-(4-hydroxyphenyl)ethyl 3-hydroxy-3-(4-hydroxyphenyl)propanoate
3-hydroxy-2,4,5-trimethylphenyl 2,4-dihydroxy-6-methylbenzoate
1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
4-[(2s)-2-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
1-(2,5-dihydroxyphenyl)-2-[3-(dimethoxymethyl)phenyl]ethanone
(2s)-2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl acetate
(4bs,8as)-2-methoxy-4b,8,8-trimethyl-7,8a,9,10-tetrahydro-5h-phenanthrene-1,4,6-trione
4-(5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-2-yl)benzene-1,2-diol
5,6,7-trimethoxy-9,10-dihydrophenanthrene-1,4-diol
3-[(4-hydroxyphenyl)methyl]-4-methoxy-2,4-dihydro-1-benzopyran-3,7-diol
4-hydroxy-7,8-dimethoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
8-(methylimino)-3,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1(20),2(7),9,11,13(18),14,16-heptaen-6-one
7-hydroxy-6-methoxy-2,3,3,9-tetramethyl-2h-naphtho[1,2-b]furan-4,5-dione
3,4-dihydroxy-5-isopropyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one
4-[3-(3-hydroxy-2-methoxyphenyl)prop-2-en-1-yl]-3-methoxybenzene-1,2-diol
(2s)-5,8,10-trimethoxy-2-methyl-2h,3h-naphtho[1,2-b]pyran-4-one
3,4,7-trimethoxy-9,10-dihydrophenanthrene-2,6-diol
(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)