Exact Mass: 346.2045026
Exact Mass Matches: 346.2045026
Found 500 metabolites which its exact mass value is equals to given mass value 346.2045026,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(-)-Chimonanthine
(-)-chimonanthine is the (3aS,3aS,8aS,8aS)-stereoisomer of chimonanthine. It is an enantiomer of a (+)-chimonanthine. (-)-Chimonanthine is a natural product found in Eumachia forsteriana, Chimonanthus praecox, and Idiospermum australiense with data available. meso-Chimonanthine is found in herbs and spices. meso-Chimonanthine is an alkaloid from Calycanthus floridus (Carolina allspice
21-Deoxycortisol
Plasma 21-deoxycortisol (21DF) is an excellent marker of 21-hydroxylase deficiency. Currently, it is the only marker able to detect heterozygous carriers with 21-hydroxylase deficiency after Adrenocorticotropic Hormone (ACTH) stimulation. The syndrome of congenital adrenal hyperplasia (CAH) comprises the spectrum of autosomal recessive enzymatic disorders that impair cortisol biosynthesis. The hormonal pattern and clinical manifestations result from hyperstimulation of the adrenal cortex by excessive production of ACTH, untied from the negative feedback exerted by reduced cortisol levels, and the ultimate accumulation of F precursors and androgens. These abnormalities predispose the female newborn to ambiguous genitalia (female pseudohermaphroditism) and precocious puberty that may occur in both sexes. CAH due to 21-hydroxylase deficiency (21OHD) comprises nearly 90\\% of all cases, with an estimated worldwide incidence of 1 in 14,000 live births. Because 21-deoxycortisol (21DF) is an 11b-hydroxylase (11bOH) derivative of 17-hydroxyprogesterone (17OHP), its serum levels are parallel and proportionally elevated in patients with 21OHD but decreased or undetectable in those with 11b-hydroxylase deficiency (11bOHD), another genetic disorder. Due to the marked buildup of 17OHP in 21OHD, this precursor steroid can proceed directly to 11-hydroxylation, producing distinct elevations of 21DF (PMID: 16551734, 10731638). Plasma 21-deoxycortisol (21DF) is an excellent marker of 21-hydroxylase deficiency. Currently, it is the only marker able to detect heterozygous carriers with 21-hydroxylase deficiency after Adrenocorticotropic Hormone (ACTH) stimulation. The syndrome of congenital adrenal hyperplasia (CAH) comprises the spectrum of autosomal recessive enzymatic disorders that impair cortisol biosynthesis. The hormonal pattern and clinical manifestations result from hyperstimulation of the adrenal cortex by excessive production of ACTH, untied from the negative feedback exerted by reduced cortisol levels, and the ultimate accumulation of F precursors and androgens. These abnormalities predispose the female newborn to ambiguous genitalia (female pseudohermaphroditism) and precocious puberty that may occur in both sexes. CAH due to 21-hydroxylase deficiency (21OHD) comprises nearly 90\\% of all cases, with an estimated worldwide incidence of 1 in 14,000 live births. Because 21-deoxycortisol (21DF) is an 11b-hydroxylase (11bOH) derivative of 17-hydroxyprogesterone (17OHP), its serum levels are parallel and proportionally elevated in patients with 21OHD but decreased or undetectable in those with 11b-hydroxylase deficiency (11bOHD). Due to the marked buildup of 17OHP in 21OHD, this precursor steroid can proceed directly to 11-hydroxylation, producing distinct elevations of 21DF. (PMID: 16551734, 10731638) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Corticosterone
Corticosterone, also known as 17-deoxycortisol, belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Thus, corticosterone is considered to be a steroid lipid molecule. Corticosterone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. In many species, including amphibians, reptiles, rodents and birds, corticosterone is a main glucocorticoid,[3] involved in regulation of energy, immune reactions, and stress responses. Corticosterone is the precursor molecule to the mineralocorticoid aldosterone, one of the major homeostatic modulators of sodium and potassium levels in vivo. Corticosterone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=50-22-6 (retrieved 2024-07-15) (CAS RN: 50-22-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Corticosterone (17-Deoxycortisol) is an orally active and adrenal cortex-produced glucocorticoid, which plays an important role in regulating neuronal functions of the limbic system (including hippocampus, prefrontal cortex, and amygdala). Corticosterone increases the Rab-mediated AMPAR membrane traffic via SGK-induced phosphorylation of GDI. Corticosterone also interferes with the maturation of dendritic cells and shows a good immunosuppressive effect[1][2][3][4]. Corticosterone (17-Deoxycortisol) is an orally active and adrenal cortex-produced glucocorticoid, which plays an important role in regulating neuronal functions of the limbic system (including hippocampus, prefrontal cortex, and amygdala). Corticosterone increases the Rab-mediated AMPAR membrane traffic via SGK-induced phosphorylation of GDI. Corticosterone also interferes with the maturation of dendritic cells and shows a good immunosuppressive effect[1][2][3][4]. Corticosterone (17-Deoxycortisol) is an orally active and adrenal cortex-produced glucocorticoid, which plays an important role in regulating neuronal functions of the limbic system (including hippocampus, prefrontal cortex, and amygdala). Corticosterone increases the Rab-mediated AMPAR membrane traffic via SGK-induced phosphorylation of GDI. Corticosterone also interferes with the maturation of dendritic cells and shows a good immunosuppressive effect[1][2][3][4].
Cortexolone
Cortexolone, also known as cortodoxone or 11-deoxycortisol, belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Thus, cortexolone is considered to be a steroid molecule. Cortexolone is an endogenous glucocorticoid steroid hormone, and a metabolic intermediate in the synthesis of cortisol. It was first described by Tadeusz Reichstein in 1938 and named as Substance S. It has also been referred to as Reichsteins Substance S or Compound S. Cortexolone acts as a glucocorticoid, though it is less potent than cortisol. Cortexolone is synthesized from 17α-hydroxyprogesterone by 21-hydroxylase and is converted to cortisol by 11β-hydroxylase. As a result, the level of cortexolone is often measured in patients to diagnose impaired cortisol synthesis, to identify any enzyme deficiency that may be causing impairment along the pathway to cortisol, and to differentiate adrenal disorders. Cortexolone in mammals has limited biological activity and mainly acts as metabolic intermediate within the glucocorticoid pathway, leading to cortisol. On the other hand, in sea lampreys, cortexolone is the major glucocorticoid, with mineralocorticoid activity. Cortexolone in sea lampreys binds to specific corticosteroid receptors and is involved in intestinal osmoregulation and in sea lamprey at metamorphosis, a process in which they develop seawater tolerance before downstream migration. Cortexolone is the precursor of cortisol. Accumulation of Cortexolone can happen in a defect known as congenital adrenal hyperplasia, which is due to 11-beta-hydroxylase deficiency, resulting in androgen excess, virilization, and hypertension. (PMID: 2022736) 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 Cortodoxone is a glucocorticoid that can be oxidized to cortisone (Hydrocortisone).
(+)-Calycanthine
(+)-Calycanthine is found in herbs and spices. (+)-Calycanthine is an alkaloid from Calycanthus floridus (Carolina allspice) and other Calycanthus specie Calycanthine, the principal alkaloid of the order Calycanthaceae, has been isolated from a species of the genus Psychotria, and is a central nervous system toxin, causing convulsions[1][2]. Calycanthine, the principal alkaloid of the order Calycanthaceae, has been isolated from a species of the genus Psychotria, and is a central nervous system toxin, causing convulsions[1][2].
NCIOpen2_008792
Algestone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione
C21H27FO3 (346.19441240000003)
6alpha-Fluoro-11-oxoprogesterone
C21H27FO3 (346.19441240000003)
4-Pregnene-16alpha,21-diol-3,20-dione
(8S,9S,10R,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Pinusolide
Pinusolide is a diterpene lactone. It has a role as a metabolite. Pinusolide is a natural product found in Agathis macrophylla, Platycladus orientalis, and other organisms with data available. Pinusolide is found in fruits. Pinusolide is a constituent of the oleorosin of Pinus koraiensis (Korean pine) A natural product found in Biota orientalis.
21-Hydroxy-5b-pregnane-3,11,20-trione
21-Hydroxy-5beta-pregnane-3,11,20-trione is an intermediate in C21-Steroid hormone metabolism. 21-Hydroxy-5beta-pregnane-3,11,20-trione is the. second to last step in the synthesis of 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one and is converted from 11-Dehydrocorticosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). It is then converted to 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50).
19-Hydroxydeoxycorticosterone
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.
[10]-Dehydrogingerdione
[10]-Dehydrogingerdione is found in herbs and spices. [10]-Dehydrogingerdione is from Zingiber officinale (ginger
4-Deoxyhumulone
4-Deoxyhumulone is found in alcoholic beverages. 4-Deoxyhumulone is isolated from hops (Humulus lupulus). Isolated from hops (Humulus lupulus). 4-Deoxyhumulone is found in alcoholic beverages.
4-Deoxyadhumulone
4-Deoxyadhumulone is found in alcoholic beverages. 4-Deoxyadhumulone is isolated from hops (Humulus lupulus). Isolated from hops (Humulus lupulus). 4-Deoxyadhumulone is found in alcoholic beverages.
7'-Carboxy-alpha-tocotrienol
7-Carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 7-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Tocotrienols are members of the vitamin E family. An essential nutrient for the body, vitamin E is made up of four tocopherols (alpha, beta, gamma, delta) and four tocotrienols (alpha, beta, gamma, delta).Chemically, vitamin E is an antioxidant. One model for the function of vitamin E in the body is that it protects cell membranes, active enzyme sites, and DNA from free radical damage. Tocotrienols are natural compounds found in select vegetable oils, wheat germ, barley, saw palmetto, and certain types of nuts and grains. This variant of vitamin E only occur at very low levels in nature. While the majority of research on vitamin E has focused on alpha-tocopherol, studies into tocotrienols account for less than 1\\% of all research into vitamin E. 7-Carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 7-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid
12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid is found in citrus. 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid is a constituent of Citrus roots infected by nematode Tylenchulus semipenetrans. Constituent of Citrus roots infected by nematode Tylenchulus semipenetrans. 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid is found in citrus and common sage.
17alpha-Hydroperoxyprogesterone
Algestone
Reichsteins Substance S
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-Dehydro-[10]-gingerdione
1-dehydro-[10]-gingerdione belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. 1-dehydro-[10]-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-dehydro-[10]-gingerdione can be found in ginger, which makes 1-dehydro-[10]-gingerdione a potential biomarker for the consumption of this food product.
Carnosic acid 12-methyl ether
Carnosic acid 12-methyl ether is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Carnosic acid 12-methyl ether is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Carnosic acid 12-methyl ether can be found in common sage, which makes carnosic acid 12-methyl ether a potential biomarker for the consumption of this food product.
10-Dehydrogingerdione
10-dehydrogingerdione is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 10-dehydrogingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10-dehydrogingerdione can be found in ginger, which makes 10-dehydrogingerdione a potential biomarker for the consumption of this food product.
Calycanthine
Calycanthine is the principal alkaloid of the plant family Calycanthaceae. It is a calycanthaceous alkaloid, an aminal and an organonitrogen heterocyclic compound. It derives from a hydride of a calycanine. Calycanthine is a natural product found in Chimonanthus praecox, Idiospermum australiense, and other organisms with data available. The principal alkaloid of the plant family Calycanthaceae. Annotation level-1 Calycanthine, the principal alkaloid of the order Calycanthaceae, has been isolated from a species of the genus Psychotria, and is a central nervous system toxin, causing convulsions[1][2]. Calycanthine, the principal alkaloid of the order Calycanthaceae, has been isolated from a species of the genus Psychotria, and is a central nervous system toxin, causing convulsions[1][2].
Carnosic acid 12-methyl ether
12-O-Methylcarnosic acid (12-Methoxycarnosic acid), a diterpene carnosic acid isolated from the acetone extract of Salvia microphylla, is an active constituent of 5α-reductase inhibition with an IC50 value of 61.7 μM. 12-O-Methylcarnosic acid inhibits proliferation in LNCaP cells. 12-O-Methylcarnosic acid has antioxidant, anti-cancer and antimicrobial activity[1][2]. 12-O-Methylcarnosic acid (12-Methoxycarnosic acid), a diterpene carnosic acid isolated from the acetone extract of Salvia microphylla, is an active constituent of 5α-reductase inhibition with an IC50 value of 61.7 μM. 12-O-Methylcarnosic acid inhibits proliferation in LNCaP cells. 12-O-Methylcarnosic acid has antioxidant, anti-cancer and antimicrobial activity[1][2].
Carnosic acid methyl ester
Methyl camosate is a diterpene isolated from Salvia officinalis or Rosmarinus officinalis. Methyl camosate has potent antioxidant and anti-bacterial activity[1][2].
[4S-[4alpha(E),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid
methyl 2alpha,15-dihydroxy-8,11,13-abietatrien-18-oate|methyl 2alpha,15-dihydroxyabieta-8,11,13-trien-18-oate
(4E,4aS,9R,11aR)-9-hydroxy-4-[(2E)-4-methoxy-4-methylpent-2-en-1-ylidene]-7-methyl-11-methylidene-4,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-3(1H)-one|asterolaurin I
clerodane methyl ester|methyl 15,16-epoxy-6alpha-hydroxycleroda-3,13(16),14-trien-18-oate|PC-66-633-5
methyl (16R)-13,17-epoxy-16-hydroxy-ent-kaur-9(11)-en-19-oate
5,8-dihydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
[4S-[4alpha(E),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
ent-labda-8(17),13-dien-15,16-olid-19-oic acid methyl ester
N-methyl-1-[(3aS,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrol[2,3-b]indol-3a(1H)-yl]-1Hindole-3-ethanamine|psychohenin|psychotriasine|rel-N-methyl-1-[(3aR,8aS)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-1H-indole-3-ethanamine
methyl (15R)-15,16-dihydroxy-8,11,13-abietatrien-18-oate
14-hydroxy-11-methoxy-8-oxocyatha-3,12-diene-12-carbaldehyde|glaucopine B
(1S,2S,4R)-p-Menth-8-ene-1,2-diol 1-O-??-D-glucopyranoside
17alpha,20beta-Dihydroxy-3,11-diketo-Delta4-pregnen
19-Me ester-12-Isoprenyl-3-cedrene-14,19-dioic acid
16-oxo-15,16H-hardwickiic acid methyl ester|methyl ester of 16-oxo-15,16H-hardwickiic acid
2-formyl-16xi-hydroxy-3-A-norcleroda-2,13-dien-15,16-olide
Me ester-8-Hydroxy-12-oxo-13, 15(17)-abietadien-16-oic acid
1,5-dihydroxy-2-(2-methylbutanoyl)-3-(3,7-dimethyl-2,6-octadienyl)-benzene|2-geranyloxy-1-(2-methylbutanoyl)phloroglucinol
14-hydroxy-13-methoxy-8-oxocyatha-3,11-diene-12-carbaldehyde|glaucopine A
20-Ketone-(3alpha,7beta,14beta,20xi)-3,7,20-Trihydroxypregn-4-en-15-one
Triptonoterpenol
A tricyclic diterpenoid having formula C21H30O4, originally isolated from Tripterygium wilfordii.
methyl (15S)-2beta,16-dihydroxy-8,11,13-abietatrien-18-oate
(20S)-20.21-Dihydroxy-pregnen-(4)-dion-(3.11)|(20S)-20.21-dihydroxy-pregnene-(4)-dione-(3.11)|20beta,21-Dihydroxy-pregnen-(4)-dion-(3,11)|20beta,21-Dihydroxypregn-4-en-3,11-dion
1-[3-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone
(E)-form-1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-3-methyl-1-butanone|3-Geranyl-1(3-methylbutanoyl)-phloroglucinol
rel-(4R,4aS,6aS,7aS,8S,8aR,9aR,9bS)-dodecahydro-4,9b-dimethyl-6,8-methano-6aH-cyclopropa[b]phenanthrene-4,7a(7H)-dicarboxylic acid 4-methyl ester
1-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dihydroxy-3-methylphenyl]-2-methyl-1-propanone
3beta,14beta,20-trihydroxy-18-oic(18->20) lactone 5-pregnene
7beta-hydroxy-14-oxo-isopimara-8(9),15-dien-19-oic acid
1-(6,8-dihydroxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-5-yl)-2-methylbutan-1-one|empetriferdinan B
2,2,6-Trimethyl-4-(acetoxymethyl)-5-[2-(butanoyloxy)ethyl]indan
ent-11S-Hydroxy-15-oxokaur-16-en-19-oic acid methyl ester
10-Dehydrogingerdione|<10>-dehydrogingerdione|[10]-dehydrogingerdione
(3S,5R,10S)-7-oxo-12-methoxyabieta-8,11,13-triene-3,11-diol
methyl (1Z,2S,3E,7E,11Z,13R)-2,16-epoxy-13-hydroxycembra-1(15),3,7,11-tetraen-20-oate
5alpha-Hydroxy-5,10-dihydroprintziasaeure-methylester
6alpha,11-dihydroxy-12-methoxyabieta-8,11,13-trien-7-one
Me ester-18(4鈥樏傗垎3)-Abeo-8-hydroxy-19-oxo-3,15-isopimardien-18-oic acid
7alpha-hydroxy-15-methoxy-8,11,13-abietatriene-18-oic acid|abiesadine O
(2S)-lactyl (E)-9-octadecen-5,7-diynoate|heterofibrin A2
(2alpha,3beta,12beta)-2,3,12-Trihydroxypregna-4,7-dien-20-one
3alpha-(3-methylpentanoyloxy)-10alphaH-furanoeremophil-9-one
14beta,15alpha-dihydroxy-17alphaH-pregn-4-ene-3,20-dione|14beta,15alpha-dihydroxy-Delta4-pregnene-3,20-dione|14beta,15alpha-dihydroxyprogesterone|stemmin A
1-(3-Methyl-2-pentenoyl)-(1alpha,10beta)-Furanoeremophilane-1,10-diol
(7R)-13-hydroxy-14-isopropyl-7-methoxy-8,11,13-podocarpatrien-19-oic acid|inumakiol E
gutierrezianolic acid methyl ester|methyl 6alpha-hydroxy-15,16-epoxy-labda-7,13(16),14-trien-17-oate
3,3a,6,7,9,9a-hexahydro-5-hydroxy-1[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methylcyclopenta[b]chromen-8(5H)-one|ACTG Toxin E|ACTG toxin-E
13,14-dehydro-15-cyclohexyl Carbaprostacyclin
Methyl carnosate
Methyl Carnosate is a natural product found in Salvia lanigera, Salvia, and Salvia officinalis with data available. Methyl camosate is a diterpene isolated from Salvia officinalis or Rosmarinus officinalis. Methyl camosate has potent antioxidant and anti-bacterial activity[1][2].
QJDGTTCAEQPSJA-ACCUITESSA-N
1-(4-Hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione is a natural product found in Zingiber officinale with data available.
Triptonodiol
Triptonodiol is a natural product found in Tripterygium wilfordii with data available.
Nelumol A
Nelumol A is a natural product found in Verbesina glabrata, Ligularia duciformis, and Ligularia nelumbifolia with data available.
12-O-Methylcarnosic acid
12-O-Methylcarnosic acid is a natural product found in Salvia aurea, Salvia lanigera, and other organisms with data available. 12-O-Methylcarnosic acid (12-Methoxycarnosic acid), a diterpene carnosic acid isolated from the acetone extract of Salvia microphylla, is an active constituent of 5α-reductase inhibition with an IC50 value of 61.7 μM. 12-O-Methylcarnosic acid inhibits proliferation in LNCaP cells. 12-O-Methylcarnosic acid has antioxidant, anti-cancer and antimicrobial activity[1][2]. 12-O-Methylcarnosic acid (12-Methoxycarnosic acid), a diterpene carnosic acid isolated from the acetone extract of Salvia microphylla, is an active constituent of 5α-reductase inhibition with an IC50 value of 61.7 μM. 12-O-Methylcarnosic acid inhibits proliferation in LNCaP cells. 12-O-Methylcarnosic acid has antioxidant, anti-cancer and antimicrobial activity[1][2].
Reichsteins Substance S
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
C21H30O4_Benzo[b]cyclopenta[e]pyran-8(3H)-one, 3a,5,6,7,9,9a-hexahydro-7-hydroxy-1-[(4E)-6-hydroxy-1,5-dimethyl-4-hexen-1-yl]-3a-methyl
Pinusolide
Constituent of the oleorosin of Pinus koraiensis (Korean pine). Pinusolide is found in herbs and spices and fruits.
C21H30O4_4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, methyl ester, (4aR)
C21H30O4_1,3,11-Trihydroxypregna-5,16-dien-20-one
C21H30O4_4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-5-hydroxy-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR)
11,21-Dihydroxyprogesterone
A 21-hydroxy steroid that consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands. Corticosterone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=50-22-6 (retrieved 2024-07-15) (CAS RN: 50-22-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Corticosterone (17-Deoxycortisol) is an orally active and adrenal cortex-produced glucocorticoid, which plays an important role in regulating neuronal functions of the limbic system (including hippocampus, prefrontal cortex, and amygdala). Corticosterone increases the Rab-mediated AMPAR membrane traffic via SGK-induced phosphorylation of GDI. Corticosterone also interferes with the maturation of dendritic cells and shows a good immunosuppressive effect[1][2][3][4]. Corticosterone (17-Deoxycortisol) is an orally active and adrenal cortex-produced glucocorticoid, which plays an important role in regulating neuronal functions of the limbic system (including hippocampus, prefrontal cortex, and amygdala). Corticosterone increases the Rab-mediated AMPAR membrane traffic via SGK-induced phosphorylation of GDI. Corticosterone also interferes with the maturation of dendritic cells and shows a good immunosuppressive effect[1][2][3][4]. Corticosterone (17-Deoxycortisol) is an orally active and adrenal cortex-produced glucocorticoid, which plays an important role in regulating neuronal functions of the limbic system (including hippocampus, prefrontal cortex, and amygdala). Corticosterone increases the Rab-mediated AMPAR membrane traffic via SGK-induced phosphorylation of GDI. Corticosterone also interferes with the maturation of dendritic cells and shows a good immunosuppressive effect[1][2][3][4].
Cortodoxone
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 Cortodoxone is a glucocorticoid that can be oxidized to cortisone (Hydrocortisone).
(4aR)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
methyl (4aR)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
methyl (4aR)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate_major
Cortexolone
Cortodoxone is a glucocorticoid that can be oxidized to cortisone (Hydrocortisone).
Chimonanthine
A ring assembly that is 2,2,3,3,8,8,8a,8a-octahydro-1H,1H-3a,3a-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1.
(5Z,7E)-(1S,3R)-1,3,21-trihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one
Deoxyhumulone
A 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl.
12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid
ST 21:3;O4
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(5-[(Diethylamino)methyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}- 1H-indol-2-yl)boronic acid
6-((3-((tert-Butyldimethylsilyloxy)methyl)-pyrrolidin-1-yl)methyl)furo[3,2-b]pyridine
C19H30N2O2Si (346.20764399999996)
Boc-Lys(Boc)-OH
(S)-2,6-Bis((tert-butoxycarbonyl)amino)hexanoic acid is a polypeptide derivative, can be used to synthesis multifunctional amphiphilic peptide dendrimer, as a nonviral gene vectors, realizes the method in cancer research. (S)-2,6-Bis((tert-butoxycarbonyl)amino)hexanoic acid also involves in the synthesis of an organic substance that increases the luminescence intensity of alkaline phosphatase substrates[1][2].
18-hydroxy-11-deoxy Corticosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[5-[3-(dimethylamino)propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
(2-(1,3-DIOXOLAN-2-YL)PHENYL)DICYCLOHEXYLPHOSPHINE
11a,17a-Dihydroxyprogesterone
Roxindole
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
6alpha-Fluoro-pregn-4-ene-3,11,20-trione
C21H27FO3 (346.19441240000003)
Phenyl[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl] sulfone
CHEBI:38953
17-acetyl-17-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-4-carboxylic acid
19-Hydroxydeoxycorticosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7-hydroxy-1-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
(8R,10R,13S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
7,8-Epoxyfurospongin-1, (rel)-
A natural product found in Spongia officinalis.
N-[(cyclopentylamino)-oxomethyl]-2-[4-(2-hydroxyphenyl)-1-piperazinyl]acetamide
(8S,9S,10R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoundecanoic acid
11-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoundecanoic acid
cyclobutyl-[(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
(8S,9S,10R,11S,13S,14R,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(9xi,11beta,14xi)-11,21-Dihydroxypregn-4-ene-3,20-dione
(8xi,9xi,10xi,13xi,14xi)-17,21-Dihydroxypregn-4-ene-3,20-dione
(3aS,8bS)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
(-)-chimonanthine is the (3aS,3aS,8aS,8aS)-stereoisomer of chimonanthine. It is an enantiomer of a (+)-chimonanthine. (-)-Chimonanthine is a natural product found in Eumachia forsteriana, Chimonanthus praecox, and Idiospermum australiense with data available. The (3aS,3aS,8aS,8aS)-stereoisomer of chimonanthine.
21-Deoxycortisol
A deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
(8S,9S,10S,13S,14S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
11-deoxycortisol
A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen.
methyl 5,6,8a-trimethyl-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
5-hydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
(4bs,8as,9s)-4,9-dihydroxy-2-isopropyl-1-methoxy-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5h-phenanthren-3-one
methyl (4ar,10as)-5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
methyl (3r,4as,4br,8as,10s,10ar)-2-ethynyl-3,10-dihydroxy-4b,8,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthrene-1-carboxylate
6-hydroxy-1-isopropyl-7-methoxy-3a,5a-dimethyl-4-oxo-2h,3h,5h,6h,7h,10h,10ah-cyclohepta[e]indene-8-carbaldehyde
3-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-10h-anthracen-9-one
13-hydroxy-6-(7-hydroxy-6-methylhept-5-en-2-yl)-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
methyl (5e)-7-[(1z,2s)-2-hydroxy-2-[(2z)-oct-2-en-1-yl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
(3as,5ar,6r,7r,10ar)-6-hydroxy-1-isopropyl-7-methoxy-3a,5a-dimethyl-4-oxo-2h,3h,5h,6h,7h,10h,10ah-cyclohepta[e]indene-8-carbaldehyde
methyl (1r,4as,5r,6r,8ar)-5-[2-(furan-3-yl)ethyl]-1-hydroxy-5,6,8a-trimethyl-4a,6,7,8-tetrahydro-4h-naphthalene-1-carboxylate
6-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-4-methylidene-octahydronaphthalen-1-yl 2-methylbut-2-enoate
10,24-dimethyl-8,10,20,22-tetraazahexacyclo[11.11.0.0¹,²¹.0²,⁷.0⁹,¹³.0¹⁴,¹⁹]tetracosa-2,4,6,14,16,18-hexaene
3a-(hydroxymethyl)-1-(1-hydroxypropan-2-yl)-6-methoxy-5a-methyl-2h,3h,4h,5h,6h,7h-cyclohepta[e]indene-8-carbaldehyde
(1s,4as,9r,10ar)-7-hydroxy-8-isopropyl-9-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
[(1r,4ar,4bs,8ar,10ar)-7-formyl-1,4a,8-trimethyl-10-oxo-3,4,4b,5,6,8a,9,10a-octahydro-2h-phenanthren-1-yl]methyl acetate
(3ar,8as)-3a-[(3ar,8as)-1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl]-1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indole
methyl 1-[2-(furan-3-yl)ethyl]-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]-1-(hydroxymethyl)-4a-methyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
6-hydroxy-3-isopropyl-4-methoxy-7,7,10a-trimethyl-6h,6ah,8h,9h,10h-benzo[c]isochromene-1-carbaldehyde
7-hydroxy-8-isopropyl-9-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
methyl 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,5,6,7,8a,9-octahydrophenanthren-2-ylidene)acetate
methyl (1s,2r,4as,5r,8as)-5-[2-(furan-3-yl)ethyl]-2-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
(4bs,8as,10r)-3-hydroxy-2-isopropyl-10-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
(4as,10ar)-5,8-dihydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
methyl 15-hydroxy-5,9-dimethyl-17-oxapentacyclo[11.4.1.0¹,¹⁵.0⁴,¹³.0⁵,¹⁰]octadec-3-ene-9-carboxylate
1-[3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl]-3-methylbutan-1-one
methyl (1s,5r,9r,10s,13r,15r)-15-hydroxy-5,9-dimethyl-17-oxapentacyclo[11.4.1.0¹,¹⁵.0⁴,¹³.0⁵,¹⁰]octadec-3-ene-9-carboxylate
(1s,4as,10ar)-8-hydroxy-1-(hydroxymethyl)-7-isopropyl-6-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3h-phenanthren-2-one
methyl 2-(10a-hydroxy-4b,8,8-trimethyl-3-oxo-4,4a,5,6,7,8a,9,10-octahydrophenanthren-2-yl)prop-2-enoate
2-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl acetate
(3as,8ar)-3a-[(3as,8ar)-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indol-3a-yl]-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole
(3s,7r,11r)-11-hydroxy-6-[(2s,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
1-{3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}-2-methylbutan-1-one
methyl (1r,4s,5r,9r,12s,15s,16r)-15-hydroxy-5,9-dimethyl-13-oxapentacyclo[13.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁶]octadec-10-ene-5-carboxylate
(1s,2r,8r,10z,14r,15r)-8-methoxy-1,5,10,14-tetramethyl-7,18-dioxatetracyclo[13.2.1.0²,¹⁴.0⁴,⁸]octadeca-4,10-dien-6-one
1-ethylidene-6-hydroxy-7-isopropyl-4-methylidene-2-oxo-hexahydroinden-5-yl 3-methylpent-2-enoate
(1r,2r,4s,5s,9s,10s,13r)-2-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl acetate
5,5-dimethyl-12-[(3-methylpentyl)oxy]-10-oxo-11-oxatetracyclo[7.3.1.0¹,⁹.0³,⁷]tridec-2-ene-2-carbaldehyde
(5as,7as,9s,11as,11bs)-9-hydroxy-2,8,8,11a,11b-pentamethyl-5,5a,6,7,7a,9,10,11-octahydro-1,12-dioxatetraphen-4-one
methyl (4s,6s,9e,13e,15r)-4,13,18-trimethyl-5,16-dioxatricyclo[13.3.0.0⁴,⁶]octadeca-1(18),9,13-triene-9-carboxylate
(1s,4s,9r,12s,13r,16r,17r)-17-(hydroxymethyl)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-5-en-7-one
10-dehydrogingerdione
{"Ingredient_id": "HBIN000102","Ingredient_name": "10-dehydrogingerdione","Alias": "AC1NSUAV; (1Z,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one","Ingredient_formula": "C21H30O4","Ingredient_Smile": "CCCCCCCCCC(=O)C=C(C=CC1=CC(=C(C=C1)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14950","TCMID_id": "4921","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12-methoxy-carnosic
{"Ingredient_id": "HBIN000897","Ingredient_name": "12-methoxy-carnosic","Alias": "NA","Ingredient_formula": "C21H30O4","Ingredient_Smile": "CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35947","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,7,8,10,11,12,13,14,15,17,-decahydro-decahydro-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2H-cyclopenta［α］penanthrene-3(6H,9H,14H)-one
{"Ingredient_id": "HBIN001977","Ingredient_name": "1,7,8,10,11,12,13,14,15,17,-decahydro-decahydro-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2H-cyclopenta\uff3b\u03b1\uff3dpenanthrene-3(6H,9H,14H)-one","Alias": "NA","Ingredient_formula": "C21H30O4","Ingredient_Smile": "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42313","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}