Exact Mass: 360.2064738
Exact Mass Matches: 360.2064738
Found 500 metabolites which its exact mass value is equals to given mass value 360.2064738,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aldosterone
Aldosterone is a steroid hormone produced by the adrenal cortex in the adrenal gland to regulate sodium and potassium balance in the blood. Specifically it regulates electrolyte and water balance by increasing the renal retention of sodium and the excretion of potassium. It is synthesized from cholesterol by aldosterone synthase, which is absent in other sections of the adrenal gland. It is the sole endogenous member of the class of mineralocorticoids. Aldosterone increases the permeability of the apical (luminal) membrane of the kidneys collecting ducts to potassium and sodium and activates their basolateral Na+/K+ pumps, stimulating ATP hydrolysis, reabsorbing sodium (Na+) ions and water into the blood, and excreting potassium (K+) ions into the urine. [HMDB] Aldosterone is a steroid hormone produced by the adrenal cortex in the adrenal gland to regulate sodium and potassium balance in the blood. Specifically, it regulates electrolyte and water balance by increasing the renal retention of sodium and the excretion of potassium. It is synthesized from cholesterol by aldosterone synthase, which is absent in other sections of the adrenal gland. It is the sole endogenous member of the class of mineralocorticoids. Aldosterone increases the permeability of the apical (luminal) membrane of the kidneys collecting ducts to potassium and sodium and activates their basolateral Na+/K+ pumps, stimulating ATP hydrolysis, reabsorbing sodium (Na+) ions and water into the blood, and excreting potassium (K+) ions into the urine. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2819 COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cortisone
A naturally occurring glucocorticoid. It has been used in replacement therapy for adrenal insufficiency and as an anti-inflammatory agent. Cortisone itself is inactive. It is converted in the liver to the active metabolite hydrocortisone. (From Martindale, The Extra Pharmacopoeia, 30th ed, p726) -- Pubchem; Cortisone is a hormone. Chemically it is a corticosteroid with formula C21H28O5 and IUPAC name 17-hydroxy-11-dehydrocorticosterone. It is closely related to corticosterone. -- Wikipedia; One of cortisones effects on the body, and a potentially harmful side effect when administered clinically, is the suppression of the immune system. This is an explanation for the apparent correlation between high stress and sickness. -- Wikipedia [HMDB] Cortisone is a naturally occurring glucocorticoid. It has been used in replacement therapy for adrenal insufficiency and as an anti-inflammatory agent. Cortisone itself is inactive. It is converted in the liver into the active metabolite cortisol. Cortisone is a corticosteroid hormone released by the adrenal gland in response to stress. One of cortisones effects on the body, and a potentially harmful side effect when administered clinically, is the suppression of the immune system. This is an explanation for the apparent correlation between high stress and sickness. Cortisone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=53-06-5 (retrieved 2024-07-16) (CAS RN: 53-06-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Cortisone (17-Hydroxy-11-dehydrocorticosterone), an oxidized metabolite of Cortisol (a Glucocorticoid). Cortisone acts as an immunosuppressant and anti-inflammatory agent. Cortisone can partially intervene in binding of Glucocorticoid to Glucocorticoid-receptor at high concentrations[1][3][4].
Prednisolone
Prednisolone is only found in individuals that have used or taken this drug. It is a glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states. [PubChem]Glucocorticoids such as Prednisolone can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of glucocorticoids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Prednisolone reduces inflammatory reaction by limiting the capillary dilatation and permeability of the vascular structures. These compounds restrict the accumulation of polymorphonuclear leukocytes and macrophages and reduce the release of vasoactive kinins. Recent research suggests that corticosteroids may inhibit the release of arachidonic acid from phospholipids, thereby reducing the formation of prostaglandins. Prednisolone is a glucocorticoid receptor agonist. On binding, the corticoreceptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing an increase or decrease in expression of specific target genes, including suppression of IL2 (interleukin 2) expression. CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10371; ORIGINAL_PRECURSOR_SCAN_NO 10370 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10290; ORIGINAL_PRECURSOR_SCAN_NO 10289 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10345; ORIGINAL_PRECURSOR_SCAN_NO 10344 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10328; ORIGINAL_PRECURSOR_SCAN_NO 10327 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10352; ORIGINAL_PRECURSOR_SCAN_NO 10350 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3958; ORIGINAL_PRECURSOR_SCAN_NO 3956 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3963; ORIGINAL_PRECURSOR_SCAN_NO 3958 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3968; ORIGINAL_PRECURSOR_SCAN_NO 3965 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3987; ORIGINAL_PRECURSOR_SCAN_NO 3983 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3980; ORIGINAL_PRECURSOR_SCAN_NO 3979 CONFIDENCE standard compound; INTERNAL_ID 1034; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3991; ORIGINAL_PRECURSOR_SCAN_NO 3989 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 > D07XA - Corticosteroids, weak, other combinations 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 D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i) 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 2783 CONFIDENCE standard compound; INTERNAL_ID 2398 D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Prednisolone is a potent, orally active corticosteroid and a glucocorticoid. Prednisolone possesses about four times the anti-inflammatory activity of hydrocortisone while causing less salt and water retention. Prednisolone can be used for ocular, anti-inflammatory research[1][2].
Cinerin II
Tricyclodehydroisohumulone
Tricyclodehydroisohumulone is found in alcoholic beverages. Tricyclodehydroisohumulone is a constituent of hops Constituent of hops. Tricyclodehydroisohumulone is found in alcoholic beverages.
9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione
9-Fluoro-2alpha-methyl-11-oxoprogesterone
7-Methylrosmanol
7-Methylrosmanol is a diterpene lactone. 7-Methylrosmanol is a natural product found in Salvia officinalis and Salvia canariensis with data available. From aerial parts of rosemary (Rosmarinus officinalis). 7-Methylrosmanol is found in herbs and spices, rosemary, and common sage. 7-Methylrosmanol is found in common sage. 7-Methylrosmanol is from aerial parts of rosemary (Rosmarinus officinalis 7-Methoxyrosmanol (7-O-Methoxyrosmanol), a phenolic diterpene isolated from rosemary, suppresses the cAMP responsiveness of PEPCK and G6Pase promoters[1]. 7-Methoxyrosmanol (7-O-Methoxyrosmanol), a phenolic diterpene isolated from rosemary, suppresses the cAMP responsiveness of PEPCK and G6Pase promoters[1].
19-Oic-deoxycorticosterone
19-hydroxydeoxycorticosterone (19,21-dihydroxy-4-pregnen-3,20-dione), 19-oxo-deoxycorticosterone (21-hydroxy-4-pregnen-3,19,20-trione), and 19-oic-deoxycorticosterone (19-oic-21-hydroxy-4-pregnen-3,20-dione)are formed from precursor deoxycorticosterone by adrenal glands obtained from intact rats and from rats undergoing adrenal regeneration.rat adrenals have the enzymes required to convert deoxycorticosterone to 19-hydroxydeoxycorticosterone, 19-oxo-deoxycorticosterone, and 19-oic-deoxycorticosterone; however, rat adrenals do not convert deoxycorticosterone or any of the oxygenated metabolites to 19-nor-deoxycorticosterone (21-hydroxy-19-nor-4-pregnen-3,20-dione). It is possible, however, that 19-nor-deoxycorticosterone is formed at peripheral sites from the oxygenated deoxycorticosterone precursors [HMDB] 19-hydroxydeoxycorticosterone (19,21-dihydroxy-4-pregnen-3,20-dione), 19-oxo-deoxycorticosterone (21-hydroxy-4-pregnen-3,19,20-trione), and 19-oic-deoxycorticosterone (19-oic-21-hydroxy-4-pregnen-3,20-dione)are formed from precursor deoxycorticosterone by adrenal glands obtained from intact rats and from rats undergoing adrenal regeneration.rat adrenals have the enzymes required to convert deoxycorticosterone to 19-hydroxydeoxycorticosterone, 19-oxo-deoxycorticosterone, and 19-oic-deoxycorticosterone; however, rat adrenals do not convert deoxycorticosterone or any of the oxygenated metabolites to 19-nor-deoxycorticosterone (21-hydroxy-19-nor-4-pregnen-3,20-dione). It is possible, however, that 19-nor-deoxycorticosterone is formed at peripheral sites from the oxygenated deoxycorticosterone precursors.
(8S,9S,10R,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Phanginin A
methyl (1S,2S,9R,10S,13R,14R,17R)-17-hydroxy-9-methyl-5,16-dioxapentacyclo[12.3.3.01,13.02,10.04,8]icosa-4(8),6-diene-14-carboxylate is a natural product found in Biancaea sappan with data available.
2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid
1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methylpentanoic acid
2-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
(1S,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)-2-oxoethyl]decahydro-3-hydroxy-1,4a-dimethyl-6-methylidenenaphthalen-2-yl acetate|inulifolinone I
methyl 6beta-angeloxyfuranoeremophilan-14-oate|methyl 6beta-angeloyloxyfuranoeremophilan-15-oate
13-hydroxypodocarpen-8,11,13-trien-18-O-butanedioic acid|abiesanordine J
(5AR,6S,7R,8aR,8bR)-6-[2-(2,5-dihydro-5-methoxy-2-oxofuran-3-yl)ethyl]-4,5,5a,6,7,8a,8b-octahydro-6,7,8b-trimethyl-2H-naphtho[1,8-bc]furan-2-one|ballatenolide A
7beta,10beta-epoxy-7-hydroxy-12-methoxy-8,12-icetexadiene-11,14-dione|komaroviquinoline
1-[5,8-dihydroxy-7-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2 h -1-benzopyran-6-yl]-2-methyl-1-propanone
methyl (1Z,2S,3E,7E,11Z,13R)-2,16-epoxy-13-hydroxy-16-oxocembra-1(15),3,7,11-tetraen-20-oate
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-5-hydroxy-7-(2-hydroxy-1-methylethyl)-8-methoxy-1,4a-dimethylphenanthrene-2-carboxylic acid|11,16-dihydroxy-14-methoxy-18(4->3) abeo-abieta-3,8,11,13-tetraene-18-oic acid|16-hydroxytriptobenzene H
5-hydroxy-2,2-dimethyl-3(R)-(3,4-dioxopentyl)-7-n-pentylchroman-4-one|cannabichromanone C
12-carbomethoxy-13-hydroxycembra-1,3,7,11-tetraen-6,19-olide|sarcophytolin D
6R*-(4R*-acetoxy,2S*-hydroxy,8-phenyloctyl)-5,6-dihydro-2H-pyran-2-one
21-hydroxy-3,20-dioxo-pregn-4-en-18-oic acid|21-Hydroxy-3,20-dioxo-pregn-4-en-18-saeure
3,4-dihydroxypregna-5,15-dien-20-one-10,2-carbolactone
1beta-angeloyloxy-8-oxoeremophil-6,9-dien-12-oic acid methyl ester
15-methoxy-neo-clerodan-3,13-dien-16,15:18,19-diolide|15-methoxymkapwanin
1beta-Methoxycarbonyl-1alpha,4abeta,8-trimethyl-7-carboxymethylen-9-oxo-10aalpha-1,2,3,4,-4a,5,6,7,8,9,10,10a-dodecahydro-phenanthren|8,9-Dehydro-cassamsaeure|8,9-Dehydrocassamsaeure|Dehydrocassamsaeure|Erythrophleadienonsaeure
4,4-di(4-hydroxy-3-methoxyphenly)-2,3-dimethylbutanol
3beta-angeloyloxy-6beta-methoxyeremophil-7(11),9(10)-dien-8alpha,12-olide
methyl (4aR,5S,6R,8aR)-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-8-oxo-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]naphthalene-1-carboxylate|methyl 6-oxocleroda-3,13-dien-15,16-olid-18-oate
3beta-(3-methylpentanoyloxy)furanoeremophilan-15,6alpha-olide
1-Methylene-2,4a-dimethyl-6,8-dihydroxy-5-methoxy-7-(1,1-dimethyl hydroxy methyl)-1,2,3,4,9,10,10a-heptahydro-9-phenanthrone
2,5,6,9,10,13,14,16-octahydro-13-hydroxy-4,12,15-trimethyl-16-oxocyclotetradeca[b]furan-8-carboxylic acid methyl ester|methyl (5S,6E,10Z,14E,15aS)-2,4,5,8,9,12,13,15a-octahydro-5-hydroxy-3,6,14-trimethyl-2-oxocyclotetradeca[b]furan-10-carboxylate|sarcoglaucol-16-one
6beta-hydroxy-3beta-<4-methylsenecioyloxy>-eremophila-1(10),7(11)-dien-12,8beta-olide
6-(4,6-dimethoxy-8-phenyl-octa-1,7-dienyl)-4-hydroxy-tetrahydro-pyran-2-one
(+)-7beta-acetoxy-4-oxo-18-nor-2,13-clerodadien-16,15-olide|Ac-7beta-7-Hydroxy-18-nor-4-oxo-2,13-clerodadien-16,15-olide
6beta,21-Dihydroxy-pregn-4-en-3,11,20-trion|6beta,21-dihydroxy-pregn-4-ene-3,11,20-trione|6beta,21-dihydroxypregn-4-ene-3,11,20-trione
6R*-(2S*-acetoxy,4R*-hydroxy,8-phenyloctyl)-5,6-dihydro-2H-pyran-2-one
7beta-Methoxyrosmanol
7beta-Methoxyrosmanol is a natural product found in Salvia dorrii, Salvia, and Salvia abrotanoides with data available.
prednisolone
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 A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XA - Corticosteroids, weak, other combinations 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 D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i) 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Prednisolone is a potent, orally active corticosteroid and a glucocorticoid. Prednisolone possesses about four times the anti-inflammatory activity of hydrocortisone while causing less salt and water retention. Prednisolone can be used for ocular, anti-inflammatory research[1][2].
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid
C21H28O5_(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-2,4-hexadienoate
C21H28O5_(5xi,6beta,7alpha)-11,12-Dihydroxy-7-methoxy-6,20-epoxyabieta-8,11,13-trien-20-one
Cortisone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids A C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20. 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 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents Origin: Animal, Pregnanes Cortisone (17-Hydroxy-11-dehydrocorticosterone), an oxidized metabolite of Cortisol (a Glucocorticoid). Cortisone acts as an immunosuppressant and anti-inflammatory agent. Cortisone can partially intervene in binding of Glucocorticoid to Glucocorticoid-receptor at high concentrations[1][3][4].
Scopolamine-N-butyl
[C21H30NO4]+ (360.21747200000004)
CONFIDENCE standard compound; INTERNAL_ID 2515
Ala Ala Ile Ser
Ala Ala Leu Ser
Ala Ala Ser Ile
Ala Ala Ser Leu
Ala Ala Thr Val
Ala Ala Val Thr
Ala Gly Ile Thr
Ala Gly Leu Thr
Ala Gly Thr Ile
Ala Gly Thr Leu
Ala Ile Ala Ser
Ala Ile Gly Thr
Ala Ile Ser Ala
Ala Ile Thr Gly
Ala Leu Ala Ser
Ala Leu Gly Thr
Ala Leu Ser Ala
Ala Leu Thr Gly
Ala Ser Ala Ile
Ala Ser Ala Leu
Ala Ser Ile Ala
Ala Ser Leu Ala
Ala Thr Ala Val
Ala Thr Gly Ile
Ala Thr Gly Leu
Ala Thr Ile Gly
Ala Thr Leu Gly
Ala Thr Val Ala
Ala Val Ala Thr
Ala Val Thr Ala
Gly Ala Ile Thr
Gly Ala Leu Thr
Gly Ala Thr Ile
Gly Ala Thr Leu
Gly Ile Ala Thr
Gly Ile Thr Ala
Gly Leu Ala Thr
Gly Leu Thr Ala
Gly Ser Val Val
Gly Thr Ala Ile
Gly Thr Ala Leu
Gly Thr Ile Ala
Gly Thr Leu Ala
Gly Val Ser Val
Gly Val Val Ser
Ile Ala Ala Ser
Ile Ala Gly Thr
Ile Ala Ser Ala
Ile Ala Thr Gly
Ile Gly Ala Thr
Ile Gly Thr Ala
Ile Ser Ala Ala
Ile Thr Ala Gly
Ile Thr Gly Ala
Leu Ala Ala Ser
Leu Ala Gly Thr
Leu Ala Ser Ala
Leu Ala Thr Gly
Leu Gly Ala Thr
Leu Gly Thr Ala
Leu Ser Ala Ala
Leu Thr Ala Gly
Leu Thr Gly Ala
Ser Ala Ala Ile
Ser Ala Ala Leu
Ser Ala Ile Ala
Ser Ala Leu Ala
Ser Gly Val Val
Ser Ile Ala Ala
Ser Leu Ala Ala
Ser Val Gly Val
Ser Val Val Gly
Thr Ala Ala Val
Thr Ala Gly Ile
Thr Ala Gly Leu
Thr Ala Ile Gly
Thr Ala Leu Gly
Thr Ala Val Ala
Thr Gly Ala Ile
Thr Gly Ala Leu
Thr Gly Ile Ala
Thr Gly Leu Ala
Thr Ile Ala Gly
Thr Ile Gly Ala
Thr Leu Ala Gly
Thr Leu Gly Ala
Thr Val Ala Ala
Val Ala Ala Thr
Val Ala Thr Ala
Val Gly Ser Val
Val Gly Val Ser
Val Ser Gly Val
Val Ser Val Gly
Val Thr Ala Ala
Val Val Gly Ser
Val Val Ser Gly
LY255283
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
7-Methylrosmanol
7-Methoxyrosmanol (7-O-Methoxyrosmanol), a phenolic diterpene isolated from rosemary, suppresses the cAMP responsiveness of PEPCK and G6Pase promoters[1]. 7-Methoxyrosmanol (7-O-Methoxyrosmanol), a phenolic diterpene isolated from rosemary, suppresses the cAMP responsiveness of PEPCK and G6Pase promoters[1].
3,4,5-TRIFLUORO-4-(TRANS-4-PENTYLCYCLOHEXYL)-1,1-BIPHENYL
6-ACETYLAMINO-2-SPIRO(N-BOC-PIPERIDINE-4-YL)-BENZOPYRAN
C20H28N2O4 (360.20489680000003)
N,N,N,N-tetrakis(2,3-epoxypropyl)-m-xylene-alpha,alpha-diamine
C20H28N2O4 (360.20489680000003)
3,5-Di-O-(tert-butyldimethylsilyl)-2-deoxy-D-ribonolactone
N,N-Dibenzylethan-1,2-diamindiacetat
C20H28N2O4 (360.20489680000003)
GPI-1046
C20H28N2O4 (360.20489680000003)
9beta,11beta-epoxy-17,21-dihydroxypregn-4-ene-3,20-dione
tris(2-methylpropyl) 2-hydroxypropane-1,2,3-tricarboxylate
1,1-(dodecane-1,12-diyl)bis-1H-pyrrole-2,5-dione
C20H28N2O4 (360.20489680000003)
Glycine,N,N-1,2-ethanediylbis[N-(carboxymethyl)-, ammonium salt (1:4)
21-Dehydrocortisol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2,5-Bis{[4-(N-ethylamidino)]phenyl}furan
C22H24N4O (360.19500139999997)
9-Fluoro-16-methylpregn-4-ene-3,11,20-trione, (16alpha)-
9-Fluoro-2-methylpregn-4-ene-3,11,20-trione, (2alpha)-
Butylscopolamine
C21H30NO4+ (360.21747200000004)
A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
7-Hydroxy-2,6,6,10,14-pentamethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17)-diene-3,16-dione
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-9-carboxy-6-hydroxynon-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-9-carboxy-5-hydroxynon-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-5-hydroxynon-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-carboxy-6-hydroxynon-7-enoyl]oxypropyl]-trimethylazanium
Komaroviquinone
A tetracyclic diterpenoid isolated from Dracocephalum komarovii and has been shown to exhibit trypanocidal activity.
(+)-(8S,8R)-4,4-dihydroxy-3,3,5-trimethoxylignan
A lignan that is 2,3-diemthylbutane substituted by a 4-hydroxy-3-methoxyphenyl group at position 4 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 1. It has been isolated from the bark of Machilus robusta.
(2E,4E)-2,4-Hexadienoic acid (1-oxo-6,6,9abeta-trimethyl-9balpha-hydroxy-1,3,5,5aalpha,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan)-5beta-yl ester
(1R,8S,9S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Leu-Thr-Gln
A tripeptide composed of L-leucine, L-threonine and L-glutamine joined in sequence by peptide linkages.
19-Oic-deoxycorticosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(20S)-17,20,21-trihydroxypregna-1,4-diene-3,11-dione
12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxododecanoic acid
(11R)-11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxododecanoic acid
(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
C20H28N2O4 (360.20489680000003)
(20R)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione
[(1S,2S,4S,5R)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
C21H30NO4+ (360.21747200000004)
3-[(2R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]-3-oxopropanoic acid
6-Acetoxy-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-2-butenoic acid ethyl ester
methyl (5E,7Z)-1-methyl-2,16-dioxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
Aldosterone
A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
20alpha-dihydroprednisone
A glucocorticoid that is prednisone in which the oxo group at position 20 is replaced by a hydroxy group. It is a metabolite of prednisone found in human urine.
20beta-dihydroprednisone
A glucocorticoid that is prednisone in which the oxo group at position 20 is replaced by a hydroxy group. It is a metabolite of prednisone found in human urine.
(2r,5ar,5br,9ar,11ar)-9a-hydroxy-2,5b,9,9,11a-pentamethyl-2,3,5,5a,10,11-hexahydro-1,12-dioxatetraphene-4,6-dione
methyl 2-hydroxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.0¹,¹⁴.0⁴,¹⁹.0⁵,⁹]nonadeca-5(9),7-diene-15-carboxylate
12-isopropyl-13-methoxy-2,6,6-trimethyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0²,⁷]pentadec-12-ene-9,11,14-trione
(1r,2s,7r,8ar)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl (2e,4e,6r)-6-hydroxy-6-methylocta-2,4-dienoate
5,8-dihydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthrene-4a-carbaldehyde
[(1s,2r,10r,12r,13r)-13-hydroxy-2,6-dimethyl-5,8-dioxotetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadec-6-en-13-yl]methyl acetate
5-(5-hydroxy-2,2-dimethyl-4-oxo-7-pentyl-3h-1-benzopyran-3-yl)pentane-2,3-dione
3-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}-5-methoxy-5h-furan-2-one
methyl (1r,4r,6r,8r,9r,10r)-8-hydroxy-6-isopropyl-9-methyl-13-methylidene-5-oxo-15-oxatetracyclo[6.6.1.0¹,¹⁰.0⁴,⁹]pentadec-2-ene-3-carboxylate
2-[(1r,2r,4s,5r,9s,10r,13s,16r)-2,16-dihydroxy-5,9-dimethyl-14-methylidene-11,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]acetaldehyde
methyl (1e,4z,8z,12s)-12-isopropyl-5,9-dimethyl-3,10,13-trioxocyclotetradeca-1,4,8-triene-1-carboxylate
(1r,9s,10s)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
(4s,4ar,5r,6s)-6-(acetyloxy)-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl 6-(hydroxymethyl)octa-2,4-dienoate
4-[1-(3,4-dimethoxyphenyl)-4-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol
(1r,8s,9s,10s,12r)-9-[2-(5-methoxy-2-oxo-5h-furan-3-yl)ethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4-en-3-one
7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl 8-hydroxy-6-methylocta-2,4-dienoate
(1s,8s,9s,10s)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
methyl (1r,2r,2'r,4ar,5'r,8as)-5'-(furan-3-yl)-2'-hydroxy-2,4a-dimethyl-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate
(5ar,7s,9as)-3-[2-(2,5-dihydroxyphenyl)ethylidene]-7-hydroxy-6,6,9a-trimethyl-hexahydro-1-benzoxepin-2-one
methyl (1r,4r,6r,8s,9r,10r)-8-hydroxy-6-isopropyl-9-methyl-13-methylidene-5-oxo-15-oxatetracyclo[6.6.1.0¹,¹⁰.0⁴,⁹]pentadec-2-ene-3-carboxylate
7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl 6-hydroxy-6-methylocta-2,4-dienoate
3-methoxy-7a-methyl-10'-methylidene-hexahydro-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione
4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-14-ene-3,11,16-trione
4-hydroxy-1-(6-oxo-2,3-dihydropyran-2-yl)-8-phenyloctan-2-yl acetate
(1s,8s,10s)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
(1r,2s,7r,8ar)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl (2e,4e,6r)-8-hydroxy-6-methylocta-2,4-dienoate
3,4,8a-trimethyl-8-oxo-4-[2-(2-oxo-5h-furan-3-yl)ethyl]-2,3,4a,5-tetrahydro-1h-naphthalen-2-yl acetate
methyl (1r,2s,4r,10r,11s,14r,15r,19s)-2-hydroxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.0¹,¹⁴.0⁴,¹⁹.0⁵,⁹]nonadeca-5(9),7-diene-15-carboxylate
methyl (1s,4s,6s,8r,9s,10s)-8-hydroxy-6-isopropyl-9,13-dimethyl-5-oxo-15-oxatetracyclo[6.6.1.0¹,¹⁰.0⁴,⁹]pentadeca-2,13-diene-3-carboxylate
{13-hydroxy-2,6-dimethyl-5,8-dioxotetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadec-6-en-13-yl}methyl acetate
methyl (5e,7z)-8-isopropyl-1-methyl-2,16-dioxo-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
(4s,4as,6as,7r,11as,11bs)-4-(methoxycarbonyl)-4,7-dimethyl-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-11b-carboxylic acid
(1r,8r,11s,12s,15s)-3,15-dimethyl-13-oxo-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3-dien-11-yl (3s)-3-methylpentanoate
(3s,3as,6r,6ar,12ar)-6-hydroxy-6-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-1h,2h,3h,3ah,4h,5h,6ah,7h,12h-cyclopenta[e]anthracene-8,11-dione
(1r,10r,12s)-3,12-dihydroxy-5-isopropyl-4-methoxy-11,11-dimethyl-13-oxatetracyclo[10.2.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-8-one
9b-hydroxy-6,6,9a-trimethyl-1-oxo-3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl hexa-2,4-dienoate
4-methoxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
5-[2-(furan-3-yl)-2-oxoethyl]-3-hydroxy-1,4a-dimethyl-6-methylidene-octahydronaphthalen-2-yl acetate
methyl 2-(4,7a-dimethyl-1,3-dioxo-tetrahydro-2-benzofuran-4-yl)-6-methylidenebicyclo[3.2.1]octane-1-carboxylate
5,6,8-trihydroxy-7-isopropyl-4a-(methoxymethyl)-1,1-dimethyl-3,4-dihydro-2h-phenanthren-9-one
(4s,6r)-6-[(1e,4r,6s,7e)-4,6-dimethoxy-8-phenylocta-1,7-dien-1-yl]-4-hydroxyoxan-2-one
methyl (1s,6s,8s)-3,8,16-trimethyl-17-oxo-7,18-dioxatricyclo[13.3.0.0⁶,⁸]octadeca-2,11,15-triene-12-carboxylate
1-methylene-2,4a-dimethyl-6,8-dihydroxy-5-methoxy-7-(1,1-dimethylhydroxymethyl)-1,2,3,4,9,10,10a-heptahydro-9-phenanthrone
{"Ingredient_id": "HBIN002800","Ingredient_name": "1-methylene-2,4a-dimethyl-6,8-dihydroxy-5-methoxy-7-(1,1-dimethylhydroxymethyl)-1,2,3,4,9,10,10a-heptahydro-9-phenanthrone","Alias": "NA","Ingredient_formula": "C21H28O5","Ingredient_Smile": "CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(C)(C)O)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14352","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxyrosmanol
{"Ingredient_id": "HBIN013346","Ingredient_name": "7-methoxyrosmanol","Alias": "NA","Ingredient_formula": "C21H28O5","Ingredient_Smile": "CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)OC)O)O","Ingredient_weight": "360.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14078","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "23243692","DrugBank_id": "NA"}
9β-(3-methyl-pentoyl-3-ene)-parthenolide
{"Ingredient_id": "HBIN014066","Ingredient_name": "9\u03b2-(3-methyl-pentoyl-3-ene)-parthenolide","Alias": "NA","Ingredient_formula": "C21H28O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14659","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-methyl-n-butylshikonin
{"Ingredient_id": "HBIN015606","Ingredient_name": "alpha-methyl-n-butylshikonin","Alias": "NA","Ingredient_formula": "C21H28O5","Ingredient_Smile": "CCCCC1(C(C(=O)C2=C(C=CC(=C2C1=O)O)O)C)C(CC=C(C)C)O","Ingredient_weight": "360.4 g/mol","OB_score": "6.3390912","CAS_id": "NA","SymMap_id": "SMIT09116","TCMID_id": "NA","TCMSP_id": "MOL007737","TCM_ID_id": "NA","PubChem_id": "139246677","DrugBank_id": "NA"}
2,4-dimethyl 5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadec-8-ene-2,4-dicarboxylate
(4r,4as,6as,7r,11as,11bs)-4-(methoxycarbonyl)-4,7-dimethyl-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-11b-carboxylic acid
methyl 8-hydroxy-6-isopropyl-9-methyl-13-methylidene-5-oxo-15-oxatetracyclo[6.6.1.0¹,¹⁰.0⁴,⁹]pentadec-2-ene-3-carboxylate
4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-9-yl 3-methylpent-3-enoate
methyl 1-[2-(furan-3-yl)-2-oxoethyl]-4a-hydroxy-1,2-dimethyl-3,4,5,8,9,9a-hexahydro-2h-benzo[7]annulene-6-carboxylate
(4s,4ar,5r,6r,8ar)-6-hydroxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl (2e)-3-methylpent-2-enoate
(5r,5as,9as,9bs)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl (2e,4e)-hexa-2,4-dienoate
6-(3,7-dimethyl-8-oxonon-2-en-1-yl)-7-hydroxy-5-methoxy-4-methyl-3h-2-benzofuran-1-one
methyl (1r,2s,5r)-2-[(3as,4s,7ar)-4,7a-dimethyl-1,3-dioxo-tetrahydro-2-benzofuran-4-yl]-6-methylidenebicyclo[3.2.1]octane-1-carboxylate
methyl (4as,9r,9as)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-3,4,9,9a-tetrahydro-2h-fluorene-9-carboxylate
methyl 6-formyl-5-[2-(furan-3-yl)ethyl]-4-hydroxy-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
methyl 5'-(furan-3-yl)-2'-hydroxy-2,4a-dimethyl-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate
(4ar,10ar)-5,8-dihydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthrene-4a-carbaldehyde
3,15-dimethyl-13-oxo-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3-dien-11-yl 3-methylpentanoate
methyl (1ar,4r,4ar,5s,6s,8ar)-5-[2-(furan-3-yl)ethyl]-4-hydroxy-5-(hydroxymethyl)-6-methyl-1h,4h,4ah,6h,7h,8h-cyclopropa[e]naphthalene-1a-carboxylate
methyl (4ar,10as)-5,6-dihydroxy-7-isopropyl-1,1-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthrene-4a-carboxylate
(1r,8s,9s,10s)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
methyl 2-[(1s,4r,9s,10s,11r,13z,14r,16r)-5,5,9-trimethyl-3-oxo-15,17-dioxapentacyclo[12.2.1.0¹,¹⁰.0⁴,⁹.0¹¹,¹⁶]heptadecan-13-ylidene]acetate
methyl (1s,4r,6r,8s,9r,10r)-8-hydroxy-6-isopropyl-9,13-dimethyl-5-oxo-15-oxatetracyclo[6.6.1.0¹,¹⁰.0⁴,⁹]pentadeca-2,12-diene-3-carboxylate
methyl (1r,5e,7z)-8-isopropyl-1-methyl-2,16-dioxo-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
(1r,8r,9s,10s)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
(4s,6s)-6-[(1s,2r)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]-4-methoxy-6-(prop-2-en-1-yl)cyclohex-2-en-1-one
(2r,4r)-4-hydroxy-1-[(2s)-6-oxo-2,3-dihydropyran-2-yl]-8-phenyloctan-2-yl acetate
2-(2,5-dihydroxy-3-methoxy-4-methylphenyl)-6-methylhepta-1,5-dien-3-yl 2-methylbut-2-enoate
3,4,10,16-tetrahydroxy-5,7-dimethyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-7-ium
[C21H30NO4]+ (360.21747200000004)
(3r,6r,7s,11s,13s)-13-hydroxy-11-methoxy-3-methyl-6-[(4e)-6-oxohepta-2,4-dien-2-yl]-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
methyl (1r,2r,2'r,4ar,5'r,8ar)-5'-(furan-3-yl)-2'-hydroxy-2,4a-dimethyl-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate
5-[(3r)-5-hydroxy-2,2-dimethyl-4-oxo-7-pentyl-3h-1-benzopyran-3-yl]pentane-2,3-dione
(1r,2s,7r,8ar)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl (2e,4e,6r)-6-(hydroxymethyl)octa-2,4-dienoate
methyl 14-methyl-7-[(3-methylbutanoyl)oxy]-6-oxatetracyclo[9.2.1.0⁴,¹².0⁸,¹²]tetradeca-2,4-diene-14-carboxylate
(1s,10r,12r)-3,12-dihydroxy-5-isopropyl-4-methoxy-11,11-dimethyl-13-oxatetracyclo[10.2.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-8-one
7-hydroxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl 3-methylpent-2-enoate
(1s,2r,4r,9s,11s)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-9-yl 3-methylpent-3-enoate
(5r)-3,5-dihydroxy-2-[9-(4-hydroxyphenyl)nonanoyl]cyclohex-2-en-1-one
4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl 3-methylpent-2-enoate
(4s,4ar,5s,7s,8ar)-7-hydroxy-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl (2e)-3-methylpent-2-enoate
(2r,4r)-2-hydroxy-1-[(2s)-6-oxo-2,3-dihydropyran-2-yl]-8-phenyloctan-4-yl acetate
2-(3,7-dimethylocta-2,6-dien-1-yl)-3-hydroxy-5-methoxy-6-(2-methylpropanoyl)cyclohexa-2,5-diene-1,4-dione
(1s,2r,4r,7e,9s,11s)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-9-yl (3e)-3-methylpent-3-enoate
methyl (4ar,5s,6r,8ar)-5,6,8a-trimethyl-8-oxo-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-4,4a,6,7-tetrahydro-3h-naphthalene-1-carboxylate
(4s,6as,7r,11bs)-4-(methoxycarbonyl)-4,7-dimethyl-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-11b-carboxylic acid
1-[(2r)-5,8-dihydroxy-7-methoxy-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-6-yl]-2-methylpropan-1-one
methyl (1s,2r,4ar,9ar)-1-[2-(furan-3-yl)-2-oxoethyl]-4a-hydroxy-1,2-dimethyl-3,4,5,8,9,9a-hexahydro-2h-benzo[7]annulene-6-carboxylate
methyl 5-[2-(furan-3-yl)ethyl]-4-hydroxy-5-(hydroxymethyl)-6-methyl-1h,4h,4ah,6h,7h,8h-cyclopropa[e]naphthalene-1a-carboxylate
(4s,7e,11z)-4,15-dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.3.1]octadeca-1(17),7,11,14(18),15-pentaene-11-carboxylic acid
methyl (1r,2s,3r,9r,10s,13r,14r)-3-hydroxy-9-methyl-5,16-dioxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁴,⁸]icosa-4(8),6-diene-14-carboxylate
(1s,2s,7r,10s)-12-isopropyl-13-methoxy-2,6,6-trimethyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0²,⁷]pentadec-12-ene-9,11,14-trione
methyl (1r,5z,7z)-8-isopropyl-1-methyl-2,16-dioxo-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
(2s,5e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6,10-dimethylundeca-5,9-dienoic acid
(1r,8s,9s,10s)-3,8-dihydroxy-5-isopropyl-4-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
6-(acetyloxy)-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(4as,10ar)-5,8-dihydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
methyl (1s,4r,6r,8s,9r,10r)-8-hydroxy-6-isopropyl-9-methyl-13-methylidene-5-oxo-15-oxatetracyclo[6.6.1.0¹,¹⁰.0⁴,⁹]pentadec-2-ene-3-carboxylate
5,8,10-trihydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
9-[2-(5-methoxy-2-oxo-5h-furan-3-yl)ethyl]-9,10,12-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4-en-3-one
methyl (4as,9r,9as)-8-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,6-dioxo-3,4,9,9a-tetrahydro-2h-fluorene-9-carboxylate
(4as,10as)-5-hydroxy-7-(1-hydroxypropan-2-yl)-8-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3h-phenanthrene-2-carboxylic acid
(1r,3r,4s,5r,7s,8r,9s,10s,11s,14r,16r,17s,18r)-3,4,10,16-tetrahydroxy-5,7-dimethyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-7-ium
[C21H30NO4]+ (360.21747200000004)
