Exact Mass: 284.1232
Exact Mass Matches: 284.1232
Found 500 metabolites which its exact mass value is equals to given mass value 284.1232,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Promethazine
Promethazine is only found in individuals that have used or taken this drug. It is a phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals. [PubChem]Like other H1-antagonists, promethazine competes with free histamine for binding at H1-receptor sites in the GI tract, uterus, large blood vessels, and bronchial muscle. The relief of nausea appears to be related to central anticholinergic actions and may implicate activity on the medullary chemoreceptor trigger zone. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D003879 - Dermatologic Agents > D000982 - Antipruritics CONFIDENCE standard compound; INTERNAL_ID 2505 CONFIDENCE standard compound; INTERNAL_ID 8490 D018926 - Anti-Allergic Agents
Promazine
Promazine is only found in individuals that have used or taken this drug. It is a phenothiazine with actions similar to chlorpromazine but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic. [PubChem]Promazine is an antagonist at types 1, 2, and 4 dopamine receptors, 5-HT receptor types 2A and 2C, muscarinic receptors 1 through 5, alpha(1)-receptors, and histamine H1-receptors. Promazines antipsychotic effect is due to antagonism at dopamine and serotonin type 2 receptors, with greater activity at serotonin 5-HT2 receptors than at dopamine type-2 receptors. This may explain the lack of extrapyramidal effects. Promazine does not appear to block dopamine within the tubero-infundibular tract, explaining the lower incidence of hyperprolactinemia than with typical antipsychotic agents or risperidone. Antagonism at muscarinic receptors, H1-receptors, and alpha(1)-receptors also occurs with promazine. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Coformycin
An N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N(3)-glycosidic bond. compound The parent of the class of coformycins. D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors
Allogibberic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Batatasin I
Batatasin I is found in root vegetables. Batatasin I is a constituent of Dioscorea batatas (Chinese yam). Constituent of Dioscorea batatas (Chinese yam). Batatasin I is found in root vegetables.
Caffeic acid ester
Caffeic acid ester, also known as caffeic acid phenethyl ester or cape, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Caffeic acid ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Caffeic acid ester can be found in corn, flaxseed, oat, and peach, which makes caffeic acid ester a potential biomarker for the consumption of these food products. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor Caffeic acid phenethyl ester is a NF-κB inhibitor. Caffeic acid phenethyl ester is a NF-κB inhibitor.
16-Oxoestrone
Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol.
alpha,alpha-diethyl-3,4,4-stilbenetriol
(+)-Larreatricin
An antiviral lignan isolated from the creosote bush, Larrea tridentata, which consists of a 3,4-dimethyltetrahydrofuran skeleton substituted by 4-hydroxyphenyl groups at positions 2 and 5 (the 2R,3R,4S,5R stereoisomer).
2'-Hydroxy-4',6'-dimethoxychalcone
Flavokawain B is a member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2 and methoxy groups at positions 4 and 6. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. It has a role as a metabolite, an antileishmanial agent, an anti-inflammatory agent, an apoptosis inducer and an antineoplastic agent. It is a member of chalcones, a dimethoxybenzene and a member of phenols. It is functionally related to a trans-chalcone. Flavokawain b is a natural product found in Alpinia rafflesiana, Bistorta officinalis, and other organisms with data available. See also: Piper methysticum root (part of). A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2 and methoxy groups at positions 4 and 6. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. 2-Hydroxy-4,6-dimethoxychalcone is found in beverages. 2-Hydroxy-4,6-dimethoxychalcone is found in kava (Piper methysticum), FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum), FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Flavokawain B (Flavokavain B) is a chalcone isolated from the root extracts of kava-kava plant and a potent apoptosis inducer for inhibiting the growth of various cancer cell lines. Flavokawain B (Flavokavain B) shows strong antiangiogenic activity. Flavokawain B (Flavokavain B) inhibits human brain endothelial cell (HUVEC) migration and tube formation with very low and non-toxic concentrations[1][2]. Flavokawain B (Flavokavain B) is a chalcone isolated from the root extracts of kava-kava plant and a potent apoptosis inducer for inhibiting the growth of various cancer cell lines. Flavokawain B (Flavokavain B) shows strong antiangiogenic activity. Flavokawain B (Flavokavain B) inhibits human brain endothelial cell (HUVEC) migration and tube formation with very low and non-toxic concentrations[1][2].
1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
2-Phenylethyl beta-D-glucopyranoside
2-Phenylethyl alpha-D-glucopyranoside is found in alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is isolated from Riesling grapes. 2-Phenylethyl beta-D-glucopyranoside is a constituent of Rosa damascena bulgaria (damask rose) and Vitis vinifera (wine grape).
(S)-5,7-Dihydroxy-6,8-dimethylflavanone
(S)-5,7-Dihydroxy-6,8-dimethylflavanone is found in fruits. (S)-5,7-Dihydroxy-6,8-dimethylflavanone is isolated from Eugenia javanica (Java apple
(S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid
(S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid is found in nuts. (S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid is isolated from Coula edulis. Isolated from Coula edulis. (S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid is found in nuts.
Stercurensin
Stercurensin is isolated from Sterculia urens (karaya gum Isolated from Sterculia urens (karaya gum)
Gamma-Glutamylhistidine
gamma-Glutamylhistidine is a dipeptide composed of gamma-glutamate and histidine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylhistidine 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. γ-Glutamylhistidine is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
Histidylglutamic acid
Histidylglutamic acid is a dipeptide composed of histidine and glutamic acid. 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.
Glutamylhistidine
Glutamylhistidine is a dipeptide composed of glutamate and histidine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylhistidine 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.
Estrone-2,3-quinone
Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated. processes. This hypothesis is supported by the correlation between quinone formation, 8-hydroxylation of guanine bases of DNA and tumor incidence of 4- versus 2-hydroxylated estrogen metabolites. Moreover, estrone-3,4-quinone, but not. estrone-2,3-quinone, induced liver tumors in mice. Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated
Estrone-3,4-quinone
Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated. processes. This hypothesis is supported by the correlation between quinone formation, 8-hydroxylation of guanine bases of DNA and tumor incidence of 4- versus 2-hydroxylated estrogen metabolites. Moreover, estrone-3,4-quinone, but not. estrone-2,3-quinone, induced liver tumors in mice. Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated
DL-Propylene glycol dibenzoate
DL-Propylene glycol dibenzoate is a flavouring ingredient. Flavouring ingredient
2',4'-Dihydroxy-6'-methoxy-3'-methylchalcone
3-(4-Carboxybenzylidene)camphor
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
Coformycin
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors
Isocoformycin
(2S,3R,4R,6R,7S,8R,9R)-1,2,3,4,6,7,8,9-Octahydroxydecan-5-one
Nicaraven
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D020011 - Protective Agents > D000975 - Antioxidants C93038 - Cation Channel Blocker
mollugin
Rubimaillin is a benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. It has a role as a plant metabolite, an acyl-CoA:cholesterol acyltransferase 2 inhibitor, a NF-kappaB inhibitor, an antineoplastic agent, an apoptosis inducer, a neuroprotective agent and an anti-inflammatory agent. It is a benzochromene, a methyl ester and a member of phenols. Mollugin is a natural product found in Rubia alata, Rubia argyi, and other organisms with data available. Mollugin is an orally active and potent NF-κB inhibitor. Mollugin induces S-phase arrest of HepG2 cells, and increased intracellular reactive oxygen species (ROS) levels. Mollugin induces DNA damage in HepG2 cells, as well as an increase in the expression of p-H2AX. Mollugin shows anti-cancer effect by inhibiting TNF-α-induced NF-κB activation. Mollugin enhances the osteogenic action of BMP-2 (bone morphogenetic protein 2) via the p38-Smad signaling pathway[1][2][3]. Mollugin is an orally active and potent NF-κB inhibitor. Mollugin induces S-phase arrest of HepG2 cells, and increased intracellular reactive oxygen species (ROS) levels. Mollugin induces DNA damage in HepG2 cells, as well as an increase in the expression of p-H2AX. Mollugin shows anti-cancer effect by inhibiting TNF-α-induced NF-κB activation. Mollugin enhances the osteogenic action of BMP-2 (bone morphogenetic protein 2) via the p38-Smad signaling pathway[1][2][3]. Mollugin is an orally active and potent NF-κB inhibitor. Mollugin induces S-phase arrest of HepG2 cells, and increased intracellular reactive oxygen species (ROS) levels. Mollugin induces DNA damage in HepG2 cells, as well as an increase in the expression of p-H2AX. Mollugin shows anti-cancer effect by inhibiting TNF-α-induced NF-κB activation. Mollugin enhances the osteogenic action of BMP-2 (bone morphogenetic protein 2) via the p38-Smad signaling pathway[1][2][3].
Caffeic_acid_phenethyl_ester
Phenethyl caffeate is an alkyl caffeate ester in which 2-phenylethyl is the alkyl component. It has a role as an antineoplastic agent, an anti-inflammatory agent, an immunomodulator, a metabolite, an antioxidant, a neuroprotective agent, an antiviral agent and an antibacterial agent. Caffeic acid phenethyl ester is a natural product found in Baccharis sarothroides, Populus deltoides, and other organisms with data available. Caffeic Acid Phenethyl Ester is the phenethyl alcohol ester of caffeic acid and a bioactive component of honeybee hive propolis, with antineoplastic, cytoprotective and immunomodulating activities. Upon administration, caffeic acid phenethyl ester (CAPE) inhibits the activation of nuclear transcription factor NF-kappa B and may suppress p70S6K and Akt-driven signaling pathways. In addition, CAPE inhibits PDGF-induced proliferation of vascular smooth muscle cells through the activation of p38 mitogen-activated protein kinase (MAPK) and hypoxia-inducible factor (HIF)-1alpha and subsequent induction of heme oxygenase-1 (HO-1). An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor Caffeic acid phenethyl ester is a NF-κB inhibitor. Caffeic acid phenethyl ester is a NF-κB inhibitor.
5,7-Dimethoxyflavanone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.183 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.179
Karalicin
A pentitol derivative that is 3-O-acetyl-1-deoxypentitol substituted by a 4-methoxyphenyl group at position 1. Isolated from the fermentation broth of Pseudomonas fluorescens and Pseudomonas putida, it exhibits anti-HSV-1 activity.
10alpha-Chloro-1beta-hydroxyeremophil-11(13)-en-12,8beta-olide
Articaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(Z)-N-[2-(2,4-Dimethoxyphenyl)ethenyl]-3-pyridinecarboxamide
1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)-phenoxyl]-1-propanol
((1S,2R)-2,3-Dihydroxy-1-hydroxymethyl-propyl)-beta-D-galactopyranosid|((1S,2R)-2,3-dihydroxy-1-hydroxymethyl-propyl)-beta-D-galactopyranoside|2-O-beta-D-Galactopyranosyl-D-erythritol|2-O-beta-D-galactopyranosylerythritol|4-O-beta-D-Galactopyranosyl-D-erythritol
(2,4-diacetoxy)-6-pentyl-5,6-dihydro-2-H-pyran-2-one
5-chloro-6-(4-dimethylamino-butylamino)-1,3-dihydro-imidazo[4,5-b]pyrazin-2-one
1-O,3-O-[1,4-Phenylene(dimethylmethylene)1,4-phenylene]glycerol
7-Chloro-2-ethyloctahydro-6-(2-penten-4-ynyl)pyrano[3,2-b]pyran-3-ol
(2R,3R)-2,3-Dihydro-2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran
6-Methoxy-4-phenyl-2,3-dihydro-3,3-dimethylbenzofuran-2-methanol
(1alpha,6alpha,10alpha)-1-Bromo-4(15)-eudesmen-6-ol
3,4-dihydro-5-methoxy-2,2-dimethyl-7-(4-hydroxyphenyl)-2H-1-benzopyran|garcibenzopyran
10-methoxy-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromen-4-ol|cichorin A
2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
(S)-1-(3-(hydroxymethyl)-4-methoxy-6-oxo-6H-pyran-2-yl)pentan-2-yl acetate|pyrenocine L
9,10-Dihydro-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene-1,7-diol
5-methoxy-4-(3-methyl-2-butenyl)-[1,1-biphenyl]-3,4-diol|garcibiphenyl B
Me ester-(5S,11bS)-2,3,5,6,11,11b-Hexahydro-3-oxo-1H-indolizino[8,7-b]indole-5-carboxylic acid
Ac-(2R*,6R*,1E,3E,9E)-form-Tetrahydro-6-(1,3,9-undecatriene-5,7-diynyl)-2H-pyran-2-ol,
(2R,3R,2R)-2,3-dihydro-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran
9,10-Dihydro-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene-2,6-diol
(3Z,11Z,7S*,9S*,10R*)-6-chloro-7:10-epoxypentadeca-3,11-dien-1-yne-9,13-diol
1-(2,4,5-Trimethoxyphenyl)-2-acetoxy-1-hydroxypropane|2,4,5,-Tri-Me ether-1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol
Clovoxamine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
C14H20O6_2-Phenylethyl beta-D-glucopyranoside
promethazine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
PharmaGSID_47263
CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3829; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3834; ORIGINAL_PRECURSOR_SCAN_NO 3832 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3814; ORIGINAL_PRECURSOR_SCAN_NO 3813 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3836; ORIGINAL_PRECURSOR_SCAN_NO 3834 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3845; ORIGINAL_PRECURSOR_SCAN_NO 3844 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3896; ORIGINAL_PRECURSOR_SCAN_NO 3895 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7864; ORIGINAL_PRECURSOR_SCAN_NO 7862 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7878; ORIGINAL_PRECURSOR_SCAN_NO 7876 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7899; ORIGINAL_PRECURSOR_SCAN_NO 7897 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7922; ORIGINAL_PRECURSOR_SCAN_NO 7920 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7936; ORIGINAL_PRECURSOR_SCAN_NO 7934 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7916; ORIGINAL_PRECURSOR_SCAN_NO 7914
2-Furanpropionic acid, tetrahydro-a-(1-naphthylmethyl)-
Minquartynoic acid
A straight-chain, C18 polyunsaturated fatty acid having four conjugated C#C bonds at positions 9, 11, 13 and 15 as well as an (S)-hydroxy group at position 17.
ST 18:5;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
ETHYL 4-OXO-1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLATE
benzyl 3-(methylamino)piperidine-1-carboxylate hydrochloride
3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
2-AMINO-5-DIETHYLCARBAMOYL-4-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
3-((2S,3S)-3-AMINO-1-(4-CHLOROPHENYL)BUTAN-2-YL)BENZONITRILE
4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
METHYL 5-OXO-6-PHENYLAMINO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
Propanoic acid,2-[4-(1-methyl-1-phenylethyl)phenoxy]-
(S)-Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
BENZYL METHYL(PIPERIDIN-4-YL)CARBAMATE HYDROCHLORIDE
5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
2-(3,4,5-Trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Methohexital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
N-Methyl-N-[(2-Nitrophenyl)Methyl]Cyclohexanamine Hydrochloride
(4-((4-Methylpiperazin-1-yl)carbamoyl)phenyl)boronic acid hydrochloride
Siguazodan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
N-(2-chloro-6-(trimethylsilyl)pyridin-3-yl)pivalamide
Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride
Methyl 3-(2-methoxy-5-methylphenyl)-3-phenylpropionate
5-(2-CHLORO-ACETYL)-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
5-(ISOPROPYLSULFONYL)-2-PIPERIDINOPYRIMIDIN-4-AMINE
8-(TERT-BUTOXYCARBONYL)-1-OXA-2,8-DIAZASPIRO[4.5]DEC-2-ENE-3-CARBOXYLIC ACID
2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidic acid methyl ester
3-Methoxy-4-(4-methyl-piperidine-1-sulfonyl)-phenylamine
Benzenepropanoic acid, 2-methyl-4-(phenylmethoxy)-, methyl ester
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
tert-butyl 3-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
Etozolin
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
(S)-Ethyl 5-(1-((tert-butoxycarbonyl)amino)ethyl)oxazole-4-carboxylate
1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one,hydrochloride
7-(tert-butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
Benzyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride
N-[5-(Phenylamino)-2,4-pentadienylidene]aniline monohydrochloride
benzyl (2S)-2-ethylpiperazine-1-carboxylate,hydrochloride
(R)-Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride
(R)-Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
(S)-Benzyl 3-ethylpiperazine-1-carboxylate hydrochloride
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4h-pyran-3-carboxylate
(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one trifluoroacetic acid salt
(1-Benzo[1,3]dioxol-5-ylMethyl-piperidin-4-yl)-Methyl-aMine hydrochloride
(3-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYL)BORONIC ACID HYDROCHLORIDE
Benzyl (2S)-2-(aminomethyl)-1-piperidinecarboxylate hydrochloride (1:1)
(R)-BENZYL 3-(AMINOMETHYL)PIPERIDINE-1-CARBOXYLATE HYDROCHLORIDE
(S)-Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
(R)-Benzyl 3-ethylpiperazine-1-carboxylate hydrochloride
Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-
2-[4-(2,2-DIFLUORO-ETHOXY)-PHENYL]-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
2-(2-((2-HYDROXYETHYL)AMINO)ETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
Benzyl (piperidin-4-ylmethyl)carbamate hydrochloride
Benzyl (piperidin-3-ylmethyl)carbamate hydrochloride
4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
benzyl (2R)-2-ethylpiperazine-1-carboxylate,hydrochloride
(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
Estra-1,5(10)-diene-3,4,17-trione
An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 4-hydroxyestrone.
Isopromethazine
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
6,8-Difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Coniferyl benzoate
A benzoate ester obtained by the formal condensation of coniferol with benzoic acid.
N-Hydroxy-3-[1-methyl-4-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acrylamide
2-Phenylethyl beta-D-glucopyranoside
Isolated from Riesling grapes. Constituent of Rosa damascena bulgaria (damask rose variety) and Vitis vinifera (wine grape). 2-Phenylethyl beta-D-galactopyranoside is found in many foods, some of which are herbs and spices, green vegetables, fruits, and alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is found in alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is isolated from Riesling grapes. 2-Phenylethyl beta-D-glucopyranoside is a constituent of Rosa damascena bulgaria (damask rose) and Vitis vinifera (wine grape).
3,9-dimethoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene
2-(3-Hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol
1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
16-Oxoestrone
Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Morphiniumone(1+)
The conjugate acid of morphinone arising from protonation of the tertiary amino group; major species at pH 7.3.
2-[(Z)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
4-[(E)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzoic acid
Estra-1(10),4-diene-2,3,17-trione
An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 2-hydroxyestrone. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(-)-Larreatricin
A lignan that consists of a 3,4-dimethyloxolane ring substituted by 4-hydroxyphenyl groups at positions 2 and 5 respectively (the 2S,3R,4S,5S-stereoisomer). Isolated from the roots of Krameria lappacea, it exhibits anti-inflammatory activity.
Meso-3,3-Didemethoxynectandrin B
A lignan that consists of a 3,4-dimethyloxolane ring substituted by 4-hydroxyphenyl groups at positions 2 and 5 respectively (the 2R,3R,4S,5S-stereoisomer). Isolated from the roots of Krameria lappacea, it exhibits anti-inflammatory activity.
(2S)-7-hydroxy-5-methoxy-8-methylflavanone
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 7, a methoxy group at position 5 and a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus.
threo-(7S,8R)-1-(4-hydroxyphenyl)-2-[4-(E)-propenylphenoxy]-propan-1-ol
A natural product found in Ribes fasciculatum var chinense.
alpha,alpha-diethyl-3,4,4-stilbenetriol
3-(2,3-dimethyl-1H-indol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
(3aS,4S,9bR)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
(3aR,4R,9bS)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
[3-(1-cyano-1H-isoquinolin-2-yl)-3-oxopropyl] propanoate
(4-{[(3,5-Dimethylisoxazol-4-yl)methyl]amino}quinazolin-2-yl)methanol
4-fluoro-N-[5-(4-fluorophenyl)iminopenta-1,3-dienyl]aniline
[(2R)-4-(5-aminopentylamino)-1-hydroxy-3-oxobutan-2-yl] dihydrogen phosphate
5-Hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-14,17-dione
2-[3-(4-Hydroxybenzoyl)phenyl]propionic acid methyl ester
Dibenzo(D,F)-1,1,3,3-tetramethyl-1,3-disila-2-oxacyclohepta-4,6-diene
Methyl (2R)-2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)amino)-4-pentenoate
2-[3-(3-Hydroxybenzoyl)phenyl]propionic acid methyl ester
promazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
2,4-dihydroxy-3-methyl-6-methoxychalcone
A member of the class of chalcones that is trans-chalcone substituted by a methyl group at position 3, hydroxy groups at positions 2 and 4 and a methoxy group at position 6. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
gamma-Glutamylhistidine
γ-Glutamylhistidine is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
16-Ketoestrone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(2S)-5,7-dihydroxy-6,8-dimethylflavanone
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
Ethyl (3-methyl-4-oxo-5-piperidinothiazolidin-2-ylidene)acetate
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid
gamma-Glu-his
A glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of histidine.
rubimaillin
A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme.
5-LOX-IN-2
5-LOX-IN-2, an inhibitor of 5-lipoxygenase (5-LOX) with an IC50 of 0.33 μM, inhibits 5-LOX in a dose-dependent manner . 5-LOX-IN-2, reduces the cell viability of renal cancer cells and induces apoptosis, can be used for cancer research[1].
4-[(11s)-3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-11-ylmethyl]phenol
4-(5-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl)phenol
8-(3,6-dimethylhepta-2,5-dien-1-yl)-7-hydroxychromen-2-one
(2r,3s,5s)-5-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-2-[(1z)-3-hydroxypent-1-en-1-yl]oxolan-3-ol
5-hydroxy-2-(3-hydroxy-4-methylphenyl)-7-methyl-2,3-dihydro-1-benzopyran-4-one
4-{1-hydroxy-2-[4-(prop-1-en-1-yl)phenoxy]propyl}phenol
(15s)-8,15-dimethoxy-6-methyl-10,14-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,4,6,8,11-hexaene
(1r,5r)-5-hydroxy-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl (2r)-2-methylbutanoate
{[(3e)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(1e)-prop-1-en-1-ylimino]cyclohex-1-en-1-yl]amino}acetic acid
4-[(1s)-1-hydroxyethyl]-2,8-dimethyl-9,10-dihydrophenanthrene-1,7-diol
(3ar,4ar,5s,8r,8ar,9ar)-8a-chloro-8-hydroxy-4a,5-dimethyl-3-methylidene-octahydronaphtho[2,3-b]furan-2-one
4-[(2s,3s,4r,5r)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(1z)-prop-1-en-1-ylimino]cyclohex-1-en-1-yl]amino}acetic acid
4-chloro-5-hydroxy-6,6,9a-trimethyl-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one
6,10-dihydroxy-4,4,8-trimethyl-1h,2h,3h-cyclohepta[a]naphthalen-9-one
4-methoxy-6-(3-methylbut-2-en-1-yl)furo[3,2-g]chromen-7-one
4,5-dimethoxy-2-[(3e)-4-phenylbut-3-en-2-ylidene]cyclopent-4-ene-1,3-dione
(1s,10s)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene
4-[5-(hydroxymethyl)-4-(4-hydroxyphenyl)-2,5-dihydrofuran-2-yl]phenol
4-{3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-11-ylmethyl}phenol
6-methoxy-5-(3-methylbut-2-en-1-yl)furo[2,3-h]chromen-2-one
4-(1-hydroxyethyl)-2,8-dimethyl-9,10-dihydrophenanthrene-1,7-diol
(2r,4r)-2,4-dimethyl-5-oxo-4-[(6e)-3-oxooct-6-en-1-yl]-1,3-dioxolane-2-carboxylic acid
1-(4,6-dihydroxy-2-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one
1,3-di-o-[2',2'-di-(p-phenylene)isopropylidene]glycerol
{"Ingredient_id": "HBIN001214","Ingredient_name": "1,3-di-o-[2',2'-di-(p-phenylene)isopropylidene]glycerol","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "CC1(C2=CC=C(C=C2)OCC(COC3=CC=C1C=C3)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5480","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN002653","Ingredient_name": "1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.38","OB_score": "42.31360231","CAS_id": "NA","SymMap_id": "SMIT00908","TCMID_id": "NA","TCMSP_id": "MOL007915","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010962","Ingredient_name": "5-(1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "CC1=C(C(=C2C(=C1)CCC3=C2C=CC(=C3C)O)C(C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10100","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(1-hydroxyethyl)-2,8-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010963","Ingredient_name": "5-(1-hydroxyethyl)-2,8-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3C)O)C(C)O)O","Ingredient_weight": "284.38","OB_score": "19.37313925","CAS_id": "NA","SymMap_id": "SMIT00723","TCMID_id": "10101","TCMSP_id": "MOL007916","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6aS,11aS)-homopterocarpin
{"Ingredient_id": "HBIN012233","Ingredient_name": "(6aS,11aS)-homopterocarpin","Alias": "NA","Ingredient_formula": "C17H16O4","Ingredient_Smile": "COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41741","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-bromo-1-en-chamigrene
{"Ingredient_id": "HBIN013678","Ingredient_name": "8-bromo-1-en-chamigrene","Alias": "NA","Ingredient_formula": "C15H25Br","Ingredient_Smile": "CC1CCC(C(C12CCC(=CC2)C)(C)C)Br","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2623","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-1,7-dihydroxy-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene
{"Ingredient_id": "HBIN013925","Ingredient_name": "9,10-dihydro-1,7-dihydroxy-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "147850-91-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7316","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene
{"Ingredient_id": "HBIN013927","Ingredient_name": "9,10-dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "147850-89-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7314","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,7-dihydroxy-4-(1-hydroxyethyl)-1,8-dimethylphenanthrene
{"Ingredient_id": "HBIN013931","Ingredient_name": "9,10-dihydro-2,7-dihydroxy-4-(1-hydroxyethyl)-1,8-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "199597-54-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7310","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenemethanol
{"Ingredient_id": "HBIN013940","Ingredient_name": "9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenemethanol","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "169134-57-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7302","PubChem_id": "NA","DrugBank_id": "NA"}
