Exact Mass: 392.20237199999997
Exact Mass Matches: 392.20237199999997
Found 407 metabolites which its exact mass value is equals to given mass value 392.20237199999997,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Betamethasone
A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724) CONFIDENCE standard compound; INTERNAL_ID 552; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8694; ORIGINAL_PRECURSOR_SCAN_NO 8691 CONFIDENCE standard compound; INTERNAL_ID 552; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8605; ORIGINAL_PRECURSOR_SCAN_NO 8603 CONFIDENCE standard compound; INTERNAL_ID 552; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8664; ORIGINAL_PRECURSOR_SCAN_NO 8662 CONFIDENCE standard compound; INTERNAL_ID 552; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8652; ORIGINAL_PRECURSOR_SCAN_NO 8651 CONFIDENCE standard compound; INTERNAL_ID 552; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8702; ORIGINAL_PRECURSOR_SCAN_NO 8699 CONFIDENCE standard compound; INTERNAL_ID 552; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8704; ORIGINAL_PRECURSOR_SCAN_NO 8702 A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EA - Corticosteroids acting locally H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01C - Antiinflammatory agents and antiinfectives in combination > S01CB - Corticosteroids/antiinfectives/mydriatics in combination D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XC - Corticosteroids, potent, other combinations R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids S - Sensory organs > S03 - Ophthalmological and otological preparations > S03B - Corticosteroids > S03BA - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid S - Sensory organs > S02 - Otologicals > S02B - Corticosteroids > S02BA - Corticosteroids D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3242 D000893 - Anti-Inflammatory Agents
(R)-Hispaglabridin A
(R)-Hispaglabridin A is found in herbs and spices. (R)-Hispaglabridin A is isolated from Glycyrrhiza glabra (licorice). Isolated from Glycyrrhiza glabra (licorice). (R)-Hispaglabridin A is found in tea and herbs and spices.
Paramethasone
A glucocorticoid with the general properties of corticosteroids. It has been used by mouth in the treatment of all conditions in which corticosteroid therapy is indicated except adrenal-deficiency states for which its lack of sodium-retaining properties makes it less suitable than hydrocortisone with supplementary fludrocortisone. (From Martindale, The Extra Pharmacopoeia, 30th ed, p737) H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Chakasaponin VI
Chakasaponin vi is a member of the class of compounds known as 2-hydroxychalcones. 2-hydroxychalcones are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2-position. Thus, chakasaponin vi is considered to be a flavonoid lipid molecule. Chakasaponin vi is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chakasaponin vi can be found in tea, which makes chakasaponin vi a potential biomarker for the consumption of this food product.
Mulberrofuran A
Mulberrofuran A is found in fruits. Mulberrofuran A is a constituent of white mulberry (Morus alba). Constituent of white mulberry (Morus alba). Mulberrofuran A is found in mulberry and fruits.
9alpha-Fluoro-6alpha-methylprednisolone
Dexamethasone
Dexamethasone is only found in individuals that have used or taken this drug. It is an anti-inflammatory 9-fluoro-glucocorticoid. Dexamethasone is a glucocorticoid agonist. It is used for its antiinflammatory or immunosuppressive properties and ability to penetrate the CNS, dexamethasone is used alone to manage cerebral edema and with tobramycin to treat corticosteroid-responsive inflammatory ocular conditions. Dexamethasone can be used in the context of congenital adrenal hyperplasia, to prevent virilisation of a female fetus. Unbound dexamethasone crosses cell membranes and binds with high affinity to specific cytoplasmic glucocorticoid receptors. This complex binds to DNA elements (glucocorticoid response elements) which results in a modification of transcription and, hence, protein synthesis in order to achieve inhibition of leukocyte infiltration at the site of inflammation, interference in the function of mediators of inflammatory response, suppression of humoral immune responses, and reduction in edema or scar tissue. The antiinflammatory actions of dexamethasone are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Dexamethasone has been shown to exhibit anesthetic, anti-microbial, appetite stimulant, muscle building and sedative functions (PMID 16571981, 19842390, 11563572, 20080405, 2898201). Its potency is about 20-30 times that of hydrocortisone and 4-5 times of prednisone. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations S - Sensory organs > S01 - Ophthalmologicals > S01C - Antiinflammatory agents and antiinfectives in combination > S01CB - Corticosteroids/antiinfectives/mydriatics in combination D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AC - Corticosteroids for local oral treatment C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids Glucocorticoid with potent antiinflammatory props. Not FDA approved for use in food-producing animals, but may be used illegally S - Sensory organs > S03 - Ophthalmological and otological preparations > S03B - Corticosteroids > S03BA - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, DrugBank, Guide to PHARMACOLOGY S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid S - Sensory organs > S02 - Otologicals > S02B - Corticosteroids > S02BA - Corticosteroids D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent [Raw Data] CB196_Dexamethasone_pos_30eV_isCID-10eV_rep000005.txt [Raw Data] CB196_Dexamethasone_pos_20eV_isCID-10eV_rep000005.txt [Raw Data] CB196_Dexamethasone_pos_40eV_isCID-10eV_rep000005.txt [Raw Data] CB196_Dexamethasone_pos_10eV_isCID-10eV_rep000005.txt [Raw Data] CB196_Dexamethasone_pos_50eV_isCID-10eV_rep000005.txt D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Same as: D00292 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Dexamethasone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations S - Sensory organs > S01 - Ophthalmologicals > S01C - Antiinflammatory agents and antiinfectives in combination > S01CB - Corticosteroids/antiinfectives/mydriatics in combination D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AC - Corticosteroids for local oral treatment C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids S - Sensory organs > S03 - Ophthalmological and otological preparations > S03B - Corticosteroids > S03BA - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, DrugBank, Guide to PHARMACOLOGY S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid S - Sensory organs > S02 - Otologicals > S02B - Corticosteroids > S02BA - Corticosteroids 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 D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Same as: D00292 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 4232 CONFIDENCE standard compound; INTERNAL_ID 4155 CONFIDENCE standard compound; INTERNAL_ID 8743 CONFIDENCE standard compound; INTERNAL_ID 8728 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2612 CONFIDENCE standard compound; INTERNAL_ID 1078
Erythrabyssin II
Erythrabyssin II is a member of pterocarpans. Erythrabyssin II is a natural product found in Erythrina abyssinica, Erythrina suberosa, and other organisms with data available. Erythrabyssin II is found in pulses. Erythrabyssin II is isolated from Phaseolus lunatus (butter bean). Isolated from Phaseolus lunatus (butter bean). Erythrabyssin II is found in pulses.
(S)-4',7-Dihydroxy-3',8-diprenylflavanone
(S)-4,7-Dihydroxy-3,8-diprenylflavanone is found in herbs and spices. (S)-4,7-Dihydroxy-3,8-diprenylflavanone is a constituent of roots of Glycyrrhiza glabra (licorice) Glabrol (Compound 1), One isoprenyl flavonoid was isolated from ethanol extract of licorice roots, is a potent and non-competitive Acyl-coenzyme A: cholesterol acyltransferase (ACAT) inhibitor with an IC50 value of 24.6 μM for rat liver microsomal ACAT activity[1]. Glabrol (Compound 1), One isoprenyl flavonoid was isolated from ethanol extract of licorice roots, is a potent and non-competitive Acyl-coenzyme A: cholesterol acyltransferase (ACAT) inhibitor with an IC50 value of 24.6 μM for rat liver microsomal ACAT activity[1]. Glabrol (Compound 1), One isoprenyl flavonoid was isolated from ethanol extract of licorice roots, is a potent and non-competitive Acyl-coenzyme A: cholesterol acyltransferase (ACAT) inhibitor with an IC50 value of 24.6 μM for rat liver microsomal ACAT activity[1].
(2E)-1-[3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl]-3-phenylprop-2-en-1-one
Erybraedin A
Erybraedin A is found in lima bean. Erybraedin A is isolated from Phaseolus lunatus (butter bean). Isolated from Phaseolus lunatus (butter bean). Erybraedin A is found in pulses and lima bean.
(S)-8-Prenylphaseollinisoflavan
(S)-8-Prenylphaseollinisoflavan is found in herbs and spices. (S)-8-Prenylphaseollinisoflavan is a constituent of Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza glabra (licorice). (S)-8-Prenylphaseollinisoflavan is found in tea and herbs and spices.
Indacaterol
C24H28N2O3 (392.20998180000004)
Indacaterol is a novel, ultra-long-acting, (2)-adrenoceptor agonist developed for Novartis for the once-daily treatment of asthma and chronic obstructive pulmonary disease. It was approved by the European Medicines Agency (EMA) under the trade name Onbrez on November 30, 2009, and by the United States Food and Drug Administration (FDA), under the trade name Arcapta Neohaler, on July 1, 2011. Indacaterol is provided as a pure R-enantiomer, typically as the salt indacaterol maleate. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Indacaterol is an orally active ultra-long-acting β2 adrenergic receptor (ADRB2) agonist. Indacaterol inhibits NF-κB activity in a β-arrestin2-dependent manner, preventing further lung damage and improving lung function in COPD (chronic obstructive pulmonary disorder). Indacaterol can also be used in cardiovascular disease research[1][2].
Ivacaftor
C24H28N2O3 (392.20998180000004)
Ivacaftor is only found in individuals that have used or taken this drug. It is a drug for the treatment of cystic fibrosis, developed by Vertex Pharmaceuticals and the Cystic Fibrosis Foundation.Cystic fibrosis is caused by any one of several defects in a protein, cystic fibrosis transmembrane conductance regulator, which regulates fluid flow within cells and affects the components of sweat, digestive fluids, and mucus. The defect, which is caused by a mutation in the individuals DNA, can be in any of several locations along the protein, each of which interferes with a different function of the protein. One mutation, G551D, lets the CFTR protein reach the epithelial cell surface, but doesnt let it transport chloride through the ion channel. Ivacaftor is a potentiator of the CFTR protein. The CFTR protein is a chloride channel present at the surface of epithelial cells in multiple organs. Ivacaftor facilitates increased chloride transport by potentiating the channel-open probability (or gating) of the G551D-CFTR protein. D049990 - Membrane Transport Modulators > D065101 - Chloride Channel Agonists C87006 - Pharmacological Chaperone R - Respiratory system
(R)-5-(2-(5,6-Diethyl-2,3-dihydro-1H-inden-2-ylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one
C24H28N2O3 (392.20998180000004)
CC(C)=CCCC(C)=CCc1c(O)ccc(C(=O)C=Cc2ccc(O)cc2)c1O
Celestone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D000893 - Anti-Inflammatory Agents
Glycylphenylalanylleucylglycine
Naftopidil
C24H28N2O3 (392.20998180000004)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators Naftopidil (KT-611) is is a selective alpha1-adrenoceptor antagonist, with Kis of 3.7 nM, 20 nM and 1.2 nM for the cloned human α1a-, α1b- and α1d-adrenoceptor subtypes, respectively. Naftopidil has antiproliferative effects. Naftopidil can be used for the research of prostate hyperplasia[1][2].
[(8S,9S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl] benzoate
4-(gamma,gamma-Dimethylallyl)-phaseollidin
4-(gamma,gamma-dimethylallyl)-phaseollidin, also known as 4-prenylphaseollidin, is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. 4-(gamma,gamma-dimethylallyl)-phaseollidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-(gamma,gamma-dimethylallyl)-phaseollidin can be found in lima bean, which makes 4-(gamma,gamma-dimethylallyl)-phaseollidin a potential biomarker for the consumption of this food product.
Glabrol
Glabrol is a member of flavanones. Glabrol is a natural product found in Sophora alopecuroides, Euchresta formosana, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). Glabrol (Compound 1), One isoprenyl flavonoid was isolated from ethanol extract of licorice roots, is a potent and non-competitive Acyl-coenzyme A: cholesterol acyltransferase (ACAT) inhibitor with an IC50 value of 24.6 μM for rat liver microsomal ACAT activity[1]. Glabrol (Compound 1), One isoprenyl flavonoid was isolated from ethanol extract of licorice roots, is a potent and non-competitive Acyl-coenzyme A: cholesterol acyltransferase (ACAT) inhibitor with an IC50 value of 24.6 μM for rat liver microsomal ACAT activity[1]. Glabrol (Compound 1), One isoprenyl flavonoid was isolated from ethanol extract of licorice roots, is a potent and non-competitive Acyl-coenzyme A: cholesterol acyltransferase (ACAT) inhibitor with an IC50 value of 24.6 μM for rat liver microsomal ACAT activity[1].
Kanzonol
Kanzonol C is a natural product found in Brosimum gaudichaudii, Fatoua pilosa, and other organisms with data available.
7-Prenyloxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
linderatone
2(S)-6-Carboxy-7-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Xanthoangelol
Xanthoangelol, extracted from Angelica keiskei, suppresses obesity-induced inflammatory responses. Xanthoangelol possesses antibacterial activity[1][2]. Xanthoangelol inhibits monoamine oxidases[3]. Xanthoangelol induces apoptosis in neuroblastoma and leukemia cells[4].
Kanzonol C
Kanzonol C is a natural product found in Brosimum gaudichaudii, Fatoua pilosa, and other organisms with data available.
Bis(6,6-dimethyl-4,5-dihydropyrano)[2,3:4,5][2,3:4,3]-2-hydroxychalcone
Isocycloglabrol
Flemiwallichin E
Linderachalcone
Abyssinone VI
A member of the class of chalcones that is isolated from the stem of Erythrina abyssinica.
Erybraedin A
A member of the class of pterocarpans that is 3,9-dihydroxypterocarpan substituted with prenyl groups at positions 4 and 10 (the 6aR,11aR stereoisomer). Isolated from Erythrina stricta and Erythrina zeyheri, it exhibits antibacterial, antimycobacterial, antiplasmodial and cytotoxic activities.
Hispaglabridin A
naftopidil
C24H28N2O3 (392.20998180000004)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators Naftopidil (KT-611) is is a selective alpha1-adrenoceptor antagonist, with Kis of 3.7 nM, 20 nM and 1.2 nM for the cloned human α1a-, α1b- and α1d-adrenoceptor subtypes, respectively. Naftopidil has antiproliferative effects. Naftopidil can be used for the research of prostate hyperplasia[1][2].
(S)-form-Prostratol F|8-geranyl-4,7-dihydroxyflavanone|8-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|prostratol F
14beta-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-8alpha,9beta-pregna-1,4-diene-3,20-dione
2-(3,7-Dimethyl-2,6-octadienyl)-1,3,8-trihydroxy-6-methyl-9(10H)-anthracenone|2-geranylemodin anthrone
(3R)-2,7-dihydroxy-3-(methylbut-2-enyl)-2,2-dimethylpyrano[5,6:4,5]isoflavan
1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
(E)-1-(5-((E)-3,7-dimethylocta-2,6-dien-1-yl)-2,4-dihydroxyphenyl)-3-(4 hydroxyphenyl)prop-2-en-1-one|2?,4?,4-trihydroxy-5?-geranylchalcone|5-geranyl-2,4,4-trihydroxychalcone|isoxanthoangelol
Kazinol B
Kazinol B is a natural product found in Broussonetia papyrifera and Broussonetia kazinoki with data available.
8alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-9beta-pregna-1,4-diene-3,20-dione
4-Geranyloxyisoliquiritigenin|4-O-Geranylisoliquiritigenin|4-O-geranylisoquiritigenin
7-O-(3-methyl-2-butenyl)-(S,E)-7-Hydroxy-8-(3-hydroxy-3-methyl-1-butenyl)flavanone
Xanthoangelol
Xanthoangelol is a natural product found in Artocarpus altilis, Artocarpus nobilis, and other organisms with data available. See also: Angelica keiskei top (part of); Angelica keiskei root (part of). D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Xanthoangelol, extracted from Angelica keiskei, suppresses obesity-induced inflammatory responses. Xanthoangelol possesses antibacterial activity[1][2]. Xanthoangelol inhibits monoamine oxidases[3]. Xanthoangelol induces apoptosis in neuroblastoma and leukemia cells[4].
Hispaglabridin A
Hispaglabridin A is a member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2 and 4 , a 3-methylbut-2-en-1-yl group at position 3 and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively. It has a role as a plant metabolite. It derives from a hydride of a (R)-isoflavan. Hispaglabridin A is a natural product found in Glycyrrhiza glabra with data available. See also: Glycyrrhiza Glabra (part of). A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2 and 4 , a 3-methylbut-2-en-1-yl group at position 3 and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively.
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid
2,4-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Betamethasone
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EA - Corticosteroids acting locally H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01C - Antiinflammatory agents and antiinfectives in combination > S01CB - Corticosteroids/antiinfectives/mydriatics in combination D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XC - Corticosteroids, potent, other combinations R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids S - Sensory organs > S03 - Ophthalmological and otological preparations > S03B - Corticosteroids > S03BA - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid S - Sensory organs > S02 - Otologicals > S02B - Corticosteroids > S02BA - Corticosteroids D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D000893 - Anti-Inflammatory Agents
Paramethasone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 2820
2,4-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Ala Phe Gly Val
Ala Phe Val Gly
Ala Gly Phe Val
Ala Gly Val Phe
Ala Val Phe Gly
Ala Val Gly Phe
Phe Ala Gly Val
Phe Ala Val Gly
Phe Gly Ala Val
Phe Gly Gly Ile
Phe Gly Gly Leu
Phe Gly Ile Gly
Phe Gly Leu Gly
Phe Gly Val Ala
Phe Ile Gly Gly
Phe Leu Gly Gly
Phe Val Ala Gly
Phe Val Gly Ala
Gly Ala Phe Val
Gly Ala Val Phe
Gly Phe Ala Val
Gly Phe Gly Ile
Gly Phe Gly Leu
Gly Phe Ile Gly
Gly Phe Leu Gly
Gly Phe Val Ala
Gly Gly Phe Ile
Gly Gly Phe Leu
Gly Gly Ile Phe
Gly Gly Leu Phe
Gly Ile Phe Gly
Gly Ile Gly Phe
Gly Leu Phe Gly
Gly Leu Gly Phe
Gly Val Ala Phe
Gly Val Phe Ala
Ile Phe Gly Gly
Ile Gly Phe Gly
Ile Gly Gly Phe
Leu Phe Gly Gly
Leu Gly Phe Gly
Leu Gly Gly Phe
Val Ala Phe Gly
Val Ala Gly Phe
Val Phe Ala Gly
Val Phe Gly Ala
Val Gly Ala Phe
Val Gly Phe Ala
(7E)-(3S,6RS)-3-hydroxy-6,19-epithio-23,24-dinor-9,10-seco-5(10),7-choladien-22-al S,S-dioxide
Indacaterol
C24H28N2O3 (392.20998180000004)
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Indacaterol is an orally active ultra-long-acting β2 adrenergic receptor (ADRB2) agonist. Indacaterol inhibits NF-κB activity in a β-arrestin2-dependent manner, preventing further lung damage and improving lung function in COPD (chronic obstructive pulmonary disorder). Indacaterol can also be used in cardiovascular disease research[1][2].
VX-770
C24H28N2O3 (392.20998180000004)
D049990 - Membrane Transport Modulators > D065101 - Chloride Channel Agonists C87006 - Pharmacological Chaperone R - Respiratory system
(S)-8-Prenylphaseollinisoflavan
(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct
(3S,4R)-1-BENZYL 3-ETHYL 4-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE-1,3-DICARBOXYLATE
1,3-bis(2,4,6-trimethylphenyl)-imidazolidinium-tetrafluoroborate
C21H25BF4N2 (392.20468079999995)
Thiourea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-phenyl- (9CI)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(phenylmethyl)- (9CI)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(3-methylphenyl)- (9CI)
METHYL 1-BOC-4-(CBZ-AMINO)PIPERIDINE-4-CARBOXYLATE
Cinepazet
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Fluperolone
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
Camylofine dihydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
Ivacaftor
C24H28N2O3 (392.20998180000004)
D049990 - Membrane Transport Modulators > D065101 - Chloride Channel Agonists C87006 - Pharmacological Chaperone R - Respiratory system
Mulberrofuran A
AIDS-096018
Lincomycin-B
C17H32N2O6S (392.19809720000006)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides
(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-sulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
C17H32N2O6S (392.19809720000006)
[(8S,9S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl] benzoate
2-[[4-(2-Phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
C21H24N6O2 (392.19606439999995)
3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester
C24H28N2O3 (392.20998180000004)
Leu-Phe-Asn
A tripeptide composed of L-leucine, L-phenylalanine and L-asparagine joined in sequence by peptide linkages.
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-propylacetamide
(2S)-5,7-Dihydroxy-8-[(2E)-3,7-dimethyl-2,6-octadienyl]flavanone
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
N-[[(2R,3S,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylcyclobutanecarboxamide
C24H28N2O3 (392.20998180000004)
[(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(4-oxanyl)methanone
C24H28N2O3 (392.20998180000004)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylcyclobutanecarboxamide
C24H28N2O3 (392.20998180000004)
3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2
(2S,4R)-4-ethyl-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methylpyrrolidine-2-carboxamide
C17H32N2O6S (392.19809720000006)
(8S,9S,10S,11R,13S,14S,16S,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
1-Phenyl-1-(pentamethylcyclopenta-2,4-dienyl)dibenzosilacyclopentadiene
Celestone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D000893 - Anti-Inflammatory Agents
(2S)-7,4-Dihydroxy-8-geranylflavanone
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at position 7 and 4 and a geranyl group at position 8.
(2s)-5,7-dihydroxy-8-[(1s,6s)-6-isopropyl-3-methylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(1r,10s)-6,13-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
3-[3-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxyphenyl]-7-hydroxy-2,3-dihydro-1-benzopyran-4-one
(5s)-5-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-7-one
1,3,8-trihydroxy-6-methyl-4,5-bis(3-methylbut-2-en-1-yl)-10h-anthracen-9-one
n-{12-[(1-hydroxy-2-methylpropylidene)amino]-2-methyl-4,6,11,13-tetraazatricyclo[8.3.0.0³,⁷]trideca-1(10),3(7),5,11-tetraen-5-yl}benzenecarboximidic acid
C21H24N6O2 (392.19606439999995)
(2r)-5,7-dihydroxy-6-[(1r,6r)-6-isopropyl-3-methylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-[(1e)-2-phenylethenyl]benzoic acid
(2e)-1-{3-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}-3-phenylprop-2-en-1-one
6-(7-hydroxy-2-methyl-3,4-dihydro-1-benzopyran-2-yl)-2-methyl-7-(3-methylbut-2-en-1-yl)-2h-chromen-8-ol
3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
(1s,10r)-15-(3-methylbut-2-en-1-yl)-4-(2-methylbut-3-en-2-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol
5-{7-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6-methoxy-1-benzofuran-2-yl}benzene-1,3-diol
(2s)-5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
7,8,10,10-tetramethyl-4-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,4-diazatricyclo[7.3.1.0⁵,¹³]trideca-5,7,9(13)-triene-2,3-dione
(2r)-8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
3-phenyl-1-[2,4,6-trihydroxy-3-(6-isopropyl-3-methylcyclohex-2-en-1-yl)phenyl]prop-2-en-1-one
(2r)-6-[(2s)-7-hydroxy-2-methyl-3,4-dihydro-1-benzopyran-2-yl]-2-methyl-7-(3-methylbut-2-en-1-yl)-2h-chromen-8-ol
8-[7-hydroxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-3-yl]-2,2-dimethylchromen-5-ol
(3r)-3-{3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxyphenyl}-7-hydroxy-2,3-dihydro-1-benzopyran-4-one
(3e,5e)-6-[(1ar,2r,3s,3as,5r,6r,7ar,7bs)-2-[(2e)-but-2-en-2-yl]-5-chloro-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
C23H33ClO3 (392.2118098000001)
6,12-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol
8-(3-hydroxy-3-methylbut-1-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
6-[(3s)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-3-yl]-2,2-dimethylchromen-5-ol
16-Propoxystrychnine
C24H28N2O3 (392.20998180000004)
{"Ingredient_id": "HBIN001955","Ingredient_name": "16-Propoxystrychnine","Alias": "16-propoxystrychnine","Ingredient_formula": "C24H28N2O3","Ingredient_Smile": "CCCOC12CC3C4C5CC(=O)N6C4C1(CCN2CC3=CCO5)C7=CC=CC=C76","Ingredient_weight": "392.54","OB_score": "28.04529419","CAS_id": "NA","SymMap_id": "SMIT01242","TCMID_id": "17920","TCMSP_id": "MOL011041","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
abyssinone iv
{"Ingredient_id": "HBIN014289","Ingredient_name": "abyssinone iv","Alias": "NA","Ingredient_formula": "C25H28O4","Ingredient_Smile": "CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(O2)C=C(C=C3)O)C","Ingredient_weight": "392.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "52","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "7330513","DrugBank_id": "NA"}
3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-1-(7-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)prop-2-en-1-one
(2r,4r)-4-ethyl-n-[(1r,2r)-2-hydroxy-1-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methylpyrrolidine-2-carboximidic acid
C17H32N2O6S (392.19809720000006)
6-benzyl-5-hydroxy-1-methyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dihydropyrazin-2-one
C24H28N2O3 (392.20998180000004)
3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.0²,¹¹.0³,⁸.0¹¹,¹⁹.0¹⁵,¹⁹]henicosa-4,14-diene-6,16,21-trione
4-[8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h,4h-pyrano[3,2-g]chromen-3-yl]benzene-1,3-diol
5,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2s,4r)-n-[(1r,2r)-2-hydroxy-1-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-4-propylpyrrolidine-2-carboximidic acid
C17H32N2O6S (392.19809720000006)
(2e)-3-phenyl-1-{2,4,6-trihydroxy-3-[(1s,6s)-6-isopropyl-3-methylcyclohex-2-en-1-yl]phenyl}prop-2-en-1-one
1-[3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl]-3-phenylprop-2-en-1-one
6,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
(3r)-7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
15-(3-methylbut-2-en-1-yl)-4-(2-methylbut-3-en-2-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol
(1r,10r)-15-(3-methylbut-2-en-1-yl)-4-(2-methylbut-3-en-2-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol
(1s,10s)-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol
(2s)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
2-(3,7-dimethylocta-2,6-dien-1-yl)-1,3,8-trihydroxy-6-methyl-10h-anthracen-9-one
4-[(3r)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h,4h-pyrano[3,2-g]chromen-3-yl]benzene-1,3-diol
4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(2s)-8-[(2e,4s)-3,7-dimethylocta-2,6-dien-4-yl]-5,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(4s)-3,8,9-trihydroxy-6-methyl-4,5-bis(3-methylbut-2-en-1-yl)-4h-anthracen-1-one
(1s,10s)-6,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
(1e,5s,7s,10r,11e,13e,17z)-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.1²,⁵.0⁵,¹⁰]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
4-[(12s,14s,15r)-9-methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.0²,⁷.0¹²,¹⁵]pentadeca-1(10),2(7),3,8-tetraen-14-yl]benzene-1,2-diol
2-[(1r,2s,6r)-3-methyl-2-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3,5-triol
(2s)-5,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
8-[(3r)-7-hydroxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-3-yl]-2,2-dimethylchromen-5-ol
3-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-1,8-dihydroxy-6-methyl-10h-anthracen-9-one
4-ethyl-n-{2-hydroxy-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methylpyrrolidine-2-carboximidic acid
C17H32N2O6S (392.19809720000006)
(2e)-1-{3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}-3-phenylprop-2-en-1-one
(3s,6s)-6-benzyl-5-hydroxy-1-methyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dihydropyrazin-2-one
C24H28N2O3 (392.20998180000004)
(2e)-1-{2,4-dihydroxy-5-[(1e)-3-methylbut-1-en-1-yl]phenyl}-3-{4-hydroxy-3-[(1e)-3-methylbut-1-en-1-yl]phenyl}prop-2-en-1-one
(2e)-n-[4-(n-acetyl-3-phenylpropanamido)butyl]-3-phenylprop-2-enimidic acid
C24H28N2O3 (392.20998180000004)
6-(2-hydroxyethyl)-2-{[6-(2-hydroxyethyl)-1-oxo-2,3-dihydroinden-5-yl]methyl}-5,7-dimethyl-2,3-dihydroinden-1-one
(2e)-1-[3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
6-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid
4,5,10,11-tetramethoxypentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene
8-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1r,2s,3s,8r,11s,13s,19s)-3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.0²,¹¹.0³,⁸.0¹¹,¹⁹.0¹⁵,¹⁹]henicosa-4,14-diene-6,16,21-trione
2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}-7-hydroxy-2,3-dihydro-1-benzopyran-4-one
(2r)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2e,6e)-7-[(2r,4s)-4-ethenyl-4,6-dimethyl-5-oxo-2h,3h-pyrano[2,3-b]chromen-2-yl]-2,6-dimethylhepta-2,6-dienal
1-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
1-[2,4-dihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
1-[5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
(2s,4r)-4-ethyl-n-[(1r,2r)-2-hydroxy-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methylpyrrolidine-2-carboximidic acid
C17H32N2O6S (392.19809720000006)
(2e)-1-{2,4-dihydroxy-3-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]phenyl}-3-(2-hydroxyphenyl)prop-2-en-1-one
8-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(3s)-7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
6-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)chromen-7-ol
2-[(1r,5s,6r)-4-methyl-5-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3,5-triol
2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-1,3,8-trihydroxy-6-methyl-10h-anthracen-9-one
(2s)-7-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-5-(2-phenylethyl)chromene-6-carboxylic acid
(2s)-8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
3,8,9-trihydroxy-6-methyl-4,5-bis(3-methylbut-2-en-1-yl)-4h-anthracen-1-one
1-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-2-hydroxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
(2r)-8-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
7,8,10,10-tetramethyl-4-(2,3,4,5-tetrahydroxypentyl)-1,4-diazatricyclo[7.3.1.0⁵,¹³]trideca-5,7,9(13)-triene-2,3-dione
3-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-1,8-dihydroxy-6-methyl-10h-anthracen-9-one
4,5,10-trihydroxy-7-methyl-1,1-bis(3-methylbut-2-en-1-yl)anthracen-2-one
2-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
4-{9-methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.0²,⁷.0¹²,¹⁵]pentadeca-1(10),2(7),3,8-tetraen-14-yl}benzene-1,3-diol
3-{3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxyphenyl}-7-hydroxy-2,3-dihydro-1-benzopyran-4-one
(1r,10r)-4,13-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
(1r,10r)-6,13-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
8-(3,7-dimethylocta-2,6-dien-4-yl)-5,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
1-[5-(3,7-dimethylocta-2,6-dien-1-yl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
5-{7-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-methoxy-1-benzofuran-2-yl}benzene-1,3-diol
2-[(1s,2r,6s)-3-methyl-2-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3,5-triol
(2s)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
6-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)chromen-8-ol
(3r)-3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
4-{9-methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.0²,⁷.0¹²,¹⁵]pentadeca-1(10),2(7),3,8-tetraen-14-yl}benzene-1,2-diol
1-{2,4-dihydroxy-3-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]phenyl}-3-(2-hydroxyphenyl)prop-2-en-1-one
(3s)-3-{3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxyphenyl}-7-hydroxy-2,3-dihydro-1-benzopyran-4-one
6-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl)-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)chromen-7-ol
(2e)-1-[(2s)-5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
2-[2-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-3-methoxyphenyl]-1-benzofuran-6-ol
2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-en-1-yl)phenyl]-1-benzofuran-6-ol
5,7-dihydroxy-8-(6-isopropyl-3-methylcyclohex-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(1s,10s)-5,15-bis(3-methylbut-2-en-1-yl)-9,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),4,6,11,13,15-hexaene-6,14-diol
4-[(12r,14r,15s)-9-methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.0²,⁷.0¹²,¹⁵]pentadeca-1(10),2(7),3,8-tetraen-14-yl]benzene-1,3-diol
6-[2-(but-2-en-2-yl)-5-chloro-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
C23H33ClO3 (392.2118098000001)