Exact Mass: 348.21479220000003
Exact Mass Matches: 348.21479220000003
Found 500 metabolites which its exact mass value is equals to given mass value 348.21479220000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
dihydrocorticosterone
3a,21-Dihydroxy-5b-pregnane-11,20-dione
3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione is an intermediate in C21-Steroid hormone metabolism. 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione is converted from Tetrahydrocorticosterone via the enzyme 11beta-hydroxysteroid dehydrogenase (EC 1.1.1.146). It is then converted to 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one via the enzyme 3alpha(or 20beta)-hydroxysteroid dehydrogenase (EC 1.1.1.53). 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione is an intermediate in C21-Steroid hormone metabolism. 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione
17alpha,21-Dihydroxypregnenolone
17alpha,21-Dihydroxypregnenolone is an intermediate in the human fetus at midpregnancy that is converted into cortisol (PMID: 4231965). It has also been found as an intermediate in alternative pathways in human adrenal steroidogenesis that take place under in vitro conditions. In normal adrenal slices from patients with hypernephroid kidney carcinomas these pathways bypass cholesterol, pregnenolone, and progesterone, and proceed to 21-hydroxypregnenolone (PMID: 6247575). 17alpha,21-Dihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 17alpha,21-Dihydroxypregnenolone is the 5th to last step in the synthesis of Cortol and is converted from 17alpha-Hydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.99.10). It is then converted to 11beta,17alpha,21-Trihydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.15.4). 17alpha,21-Dihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 17alpha,21-Dihydroxypregnenolone is the 5th to last step in the synthesis of Cortol and is converted from 17alpha-Hydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.99.10). It is then converted to 11beta,17alpha,21-Trihydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.15.4). [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
TTNPB
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D000970 - Antineoplastic Agents
11b,21-Dihydroxy-5b-pregnane-3,20-dione
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is an intermediate in C21-Steroid hormone metabolism. 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is the 3rd to last step in the synthesis of 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one and is converted from Corticosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). It is then converted to Tetrahydrocorticosterone via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50). [HMDB] 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is an intermediate in C21-Steroid hormone metabolism. 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is the 3rd to last step in the synthesis of 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one and is converted from Corticosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). It is then converted to Tetrahydrocorticosterone via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50).
Bexarotene
Bexarotene is only found in individuals that have used or taken this drug. It is an antineoplastic agent indicated by the FDA for Cutaneous T cell lymphoma. It has been used off-label for lung cancer, breast cancer, and Kaposis sarcoma (Wikipedia). Bexarotene selectively binds with and activates retinoid X receptor subtypes. There are three subtypes in total: RXRα, RXRβ, RXRγ. The exact mechanism of action of bexarotene in the treatment of CTCL is unknown but the drug has activity in all clinical stages of CTCL. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XF - Retinoids for cancer treatment C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D000970 - Antineoplastic Agents
Roxatidine acetate
C19H28N2O4 (348.20489680000003)
Roxatidine acetate is only found in individuals that have used or taken this drug. It is a specific and competitive H2 receptor antagonist. It is currently approved in South Africa under the tradename Roxit.The H2 antagonists are competitive inhibitors of histamine at the parietal cell H2 receptor. They suppress the normal secretion of acid by parietal cells and the meal-stimulated secretion of acid. They accomplish this by two mechanisms: histamine released by ECL cells in the stomach is blocked from binding on parietal cell H2 receptors which stimulate acid secretion, and other substances that promote acid secretion (such as gastrin and acetylcholine) have a reduced effect on parietal cells when the H2 receptors are blocked. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
[10]-Gingerdione
[10]-Gingerdione is found in herbs and spices. [10]-Gingerdione is isolated from Zingiber officinale (ginger
9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one is found in tea. 9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one is found in tea.
[8]-Paradyl acetate
[8]-Paradyl acetate is found in alcoholic beverages. [8]-Paradyl acetate is a constituent of Amomum melegueta (grains of paradise). Constituent of Amomum melegueta (grains of paradise). [8]-Paradyl acetate is found in alcoholic beverages and herbs and spices.
3b,15b,17a-Trihydroxy-pregnenone
3b,15b,17a-Trihydroxy-pregnenone is a major 15 beta-hydroxylated metabolite unique to the human perinatal period. (PMID 8750436). The chemical synthesis of 15β-hydroxylated steroids is for use in the (a) development of new immunoassay techniques for application to newborn screening programs and fetal well-being; (b) development of new anti-androgenic drugs; and (c) study of androgen/estrogen interaction in late pregnancy.
7'-Carboxy-alpha-chromanol
7-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 7-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. The tocopherols ( a-tocopherol , b-tocopherol ,r-tocopherol and d-tocopherol ) and their corresponding tocotrienols are synthesized by plants and have vitamin E antixoidant activity (see pathway vitamin E biosynthesis ). They differ in the number and location of methyl groups on the chromanol ring. The naturally occurring form of a-tocopherol is (2R,4R,8R)-a-tocopherol (synonym (R,R,R)-a-tocopherol). Synthetic a-tocopherols are a racemic mixture of eight different R and S stereoisomers. Only the 2R forms are recognized as meeting human requirements. The in vivo function of vitamin E is to scavenge peroxyl radicals via its phenolic (chromanol) hydroxyl group, thus protecting lipids against free radical-catalyzed peroxidation. The tocopheryl radical formed can then be reduced by reductants such as L-ascorbate. Other major products of a-tocopherol oxidation include α-tocopherylquinone and epoxy-a-tocopherols. The metabolites a-tocopheronic acid and its lactone, known as the Simon metabolites, are generally believed to be artefacts. In addition to these oxidation products, the other major class of tocopherol metabolites is the carboxyethyl-hydroxychromans.These metabolites are produced in significant amounts in response to excess vitamin E ingestion. Vitamin E is fat-soluble and its utilization requires intestinal fat absorption mechanisms. It is secreted from the intestine into the lymphatic system in chylomicrons which subsequently enter the plasma. Lipolysis of these chylomicrons can result in delivery of vitamin E to tissues, transfer to high-density lipoproteins (and subsequently to other lipoproteins via the phospholipid exchange protein), or retention in chylomicron remnants. These remnants are taken up by the liver. Natural (R,R,R)-α-tocopherol and synthetic 2R-α-tocopherols are then preferentially secreted from the liver into plasma as a result of the specificity of the α-tocopherol transfer protein. This protein, along with the metabolism of excess vitamin E in the liver and excretion into urine and bile, mediate the supply of a-tocopherol in plasma and tissues. 7-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 7-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
17,20,21-Trihydroxypregn-4-en-3-one
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-[2-(5,5,8,8-Tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
Alfadolone
Ataprost
Deoxycortisol
17,21-Dihydroxypregnane-3,20-dione
trihydroxy-4-pregnen-3-one
10-Gingerdione
10-gingerdione 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-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10-gingerdione can be found in ginger, which makes 10-gingerdione a potential biomarker for the consumption of this food product.
bixin aldehyde
Bixin aldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Bixin aldehyde can be found in a number of food items such as bamboo shoots, sago palm, welsh onion, and globe artichoke, which makes bixin aldehyde a potential biomarker for the consumption of these food products.
Methyl ent-16-hydroxy-6-oxo-7,13E-labdadien-15-oate
2beta-Hydroxy-1alpha-hydroxymethylcolensene-2alpha-carboxylic acid lactone
2(S)-7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Methyl 15-hydroperoxy-8alpha,12alpha-epioxiabiet-13-en-19-oate
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid
Monomethyl kolavate
Monomethyl kolavate is a natural product found in Prioria balsamifera with data available.
11b,21-Dihydroxy-5b-pregnane-3,20-dione
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is an intermediate in C21-Steroid hormone metabolism. 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is the 3rd to last step in the synthesis of 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one and is converted from Corticosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). It is then converted to Tetrahydrocorticosterone via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50). [HMDB] 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is an intermediate in C21-Steroid hormone metabolism. 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione is the 3rd to last step in the synthesis of 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one and is converted from Corticosterone via the enzyme 3-oxo-5beta-steroid 4-dehydrogenase (EC 1.3.99.6). It is then converted to Tetrahydrocorticosterone via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50).
17alpha,21-Dihydroxypregnenolone
17alpha,21-Dihydroxypregnenolone is an intermediate in the human fetus at midpregnancy that is converted into cortisol (PMID: 4231965). It has also been found as an intermediate in alternative pathways in human adrenal steroidogenesis that take place under in vitro conditions. In normal adrenal slices from patients with hypernephroid kidney carcinomas these pathways bypass cholesterol, pregnenolone, and progesterone, and proceed to 21-hydroxypregnenolone (PMID: 6247575). 17alpha,21-Dihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 17alpha,21-Dihydroxypregnenolone is the 5th to last step in the synthesis of Cortol and is converted from 17alpha-Hydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.99.10). It is then converted to 11beta,17alpha,21-Trihydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.15.4). 17alpha,21-Dihydroxypregnenolone is an intermediate in C21-Steroid hormone metabolism. 17alpha,21-Dihydroxypregnenolone is the 5th to last step in the synthesis of Cortol and is converted from 17alpha-Hydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.99.10). It is then converted to 11beta,17alpha,21-Trihydroxypregnenolone via the enzyme cytochrome P450 (EC 1.14.15.4). [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-deoxyaulacocarpin A|methyl 8beta,17:14xi,15-diepoxy-12(E)-labden-16-oate
(3R)-3,4-dihydro-8-hydroxy-6-methoxy-3-undecyl-1H-[2]benzopyran-1-one|(3R)-8-hydroxy-6-methoxy-3-undecyl-3,4-dihydroisocoumarin|6-Me ether-(R)-3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one|8-hydroxy-6-methoxy-3-undecyl-3,4-dihydroisocoumarin
11beta,17alpha,20beta-Trihydroxy-3-keto-Delta4-pregnen|Delta4-Pregnentriol-(11beta,17alpha,20beta)-on-(3)
3,17-Dioxo-8beta-H-ent-labda-13z-en-15-saeuremethylester
3beta,14,15alpha-Trihydroxy-14beta-pregn-5-en-20-on|3beta,14,15alpha-trihydroxy-14beta-pregn-5-en-20-one|Purpuigenin
(2beta,3alpha,4beta,5beta)-2,3,4-Trihydroxypregn-16-en-20-one|2beta,3alpha,4beta-Trihydroxy-5beta-pregn-16-en-20-on
(3S,5S,8R,9R,10S)-3-acetoxy-9,13-epoxy-16-norlabda-13E-en-15-al|negundoin C
ceriopsin A|methyl 17-hydroxy-16-oxo-beyeran-18-oate
methyl 15,16-epoxy-6-alpha-hydroxycleroda-3,13-dien-18-oate
13alpha-methoxy-7-oxo-8(14)-abieten-18-oic acid|abiesadine T
3beta, 12beta, 14-Trihydroxy-14beta-pregn-5-en-20-one|3beta,12beta,14-Trihydroxy-14beta-pregn-5-en-20-on|3beta,12beta,14-trihydroxy-14beta-pregn-5-en-20-one|digipurpurogenin II|isoramanone
17alpha,20R-dihydroxypregnan-3,16-dione|17??,20R-Dihydroxypregnan-3,16-dione
methyl 14xi,15-epoxy-3beta-hydroxy-8(17),12(E)-labdadien-16-oate
Cheloviolene E|seco-norrisolide B|Seconorrlandin B
(Z)-2,5-dihydroxy-3-(pentadec-8-enyl)-1,4-benzoquinone
3alpha(3-Methylpent-2c-enoyloxy)-9alpha-hydroxy-eremophil-8-on-11(12)en
12,16-epoxy-5alpha-hydroxy-12alpha-methoxycassa-13(15)-en-16-one|neocaesalpin E
9alpha-(3-Methyl-pent-3-enoyloxy)-8alpha-hydroxy-2-oxo-10beta-H-eremophil-11(12)en
9alpha,13alpha-epoxy-8-oxo-9(8->7)abeo-7betaH-abietan-18-oic acid methyl ester|larikaempferic acid methyl ester
(3beta,15beta,17alphaOH)-3,15,17-Trihydroxypregn-5-en-20-one
(1S*,4S*,9R*,11S*)-15-acetoxy-16-norxeniaphylla-8(19)-en-5,12-dione|gibberosin O
Formyl-(ent-13E)-15-Hydroxy-1(10),13-halimadien-18-oic acid
2,19-oxymeliavosin|2alpha,3beta-dihydroxypregnan-16-one 2beta,19-hemiketal
3Beta-acetoxy-11beta-hydroxy-5beta-androstan-17-one
ent-3,15,16-trihydroxypimar-8(14)-en-15,16-acetonide
16,17-Dihydroxy-9(11)-kauren-18-saeure-methylester|methyl 16,17-dihydroxy-ent-kaur-9(11)-en-19-oate|methyl ent-16beta,17-dihydroxy-9(11)-kauren-19-oate|methyl-16alpha,17-dihydroxy-16,17-dihydro-9(11)-dehydro-ent-kaurenoate
3-Ac-(3beta,5alpha,13alpha,16alpha)-3,16-Dihydroxyandrostan-17-one
(3alpha,17alphaOH)-3,17-Dihydroxypregnane-1,20-dione
l-prostaglandin B2 methyl ester|methyl (5Z,13E,15S)-15alpha-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oate|Prostaglandin-B(2)-methylester
(-)-(1S*,4R*,10R*)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
12(S)-hydroxy-15xi-methoxy-labdan-8(17),13(14)-dien-15,16-olide
16,17-dihydroxy-18(4->3)-abeo-ent-kaur-3-en-18-oic acid methyl ester|methyl ent-16,17-dihydroxy-18-norkaur-3-ene-3-carboxylate|methyl pothoscandensate
(1S,4E,4aS,9R,11aR)-1,3,4,4a,5,6,9,10,11,11a-decahydro-4-[(2E)-4-methoxy-4-methylpent-2-en-1-ylidene]-7-methyl-11-methylidenecyclonona[c]pyran-1,9-diol|asterolaurin K
methyl 4alpha-formylgrindelate|methyl-18-oxo-grindeloate
(1R,3S,3aR,6R,10aS)-3,3a,4,5,6,9,10,10a-octahydro-1-(hydroxymethyl)-3-methoxy-8-methyl-4-methylidene-1-[(1E)-4-methylpenta-1,3-dien-1-yl]-1H-cyclonona[c]furan-6-ol|asterolaurin M
methyl ent-7alpha,15beta-dihydroxy-kaur-16-en-19-oate
ent-15beta,16beta-epoxy-17-hydroxykauran-19-oic acid
(3alpha,7beta,14beta,20xi)-3,7,20-Trihydroxypregn-4-en-15-one
3beta,11,19-trihydroxy-14-methoxy-abieta-8,11,13-triene
14,14O-dihydro(14beta)-13beta-methoxysarcodonin G|neosarcodonin A
(6aR,9S,10S,10aR)-9,10-Dihydroxyhexahydrocannabinol (Cannabiripsol)
ceriopsin F|methyl ent-13,17-epoxy-16-hydrokauran-19-oate
methyl 10(S*)-acetoxy-6(Z),8(E),12(Z),15(Z)-octadecatetraenoate
2,7,7,10-Tetramethyl-4-pentyl-7H-benzo[c]furo[2,3-f]chromene #
17-Me ether-17, 18-Epoxy-1(19), 7, 10, 12-xenicatetraene-6, 14, 17-triol
2-(3,7-dimethylocta-2,6-dienyl)-5-(2-phenylethenyl)benzene-1,3-diol
(5beta,7beta,15beta)-7,15-Dihydroxypregnane-3,20-dione
18,19-epoxy-18alpha-methoxy-ent-cleroda-3,13E-dien-15-oic acid
methyl 13xi,14xi-epoxy-15-oxo-labd-8(17)-en-19-oate
(2R)-2-[(3aR,7aR)-3-Oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-1,3,3a,6,7,7a-hexahydroisobenzofuran-4-yl]propanoic acid methyl ester
7-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-5-(2-phenylethyl)-2H-1-benzopyran
methyl-7-oxo-9beta,13beta-epoxy-ent-labd-14-en-18-oate
methyl (5Z,13E,15S)-15-hydroxy-9-oxo-prosta-5,8(12),13-trien-1-oate
methyl ent-9alpha,15beta-dihydroxy-kaur-16-en-19-oate|methyl-9beta-hydroxygrandiflorate
methyl ent-12-hydroxy-16-oxolabda-7,13Z-dien-15-oate
3-Methyl-2-butenoyl,Me ester-2alpha-2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid
methyl-2beta-(2-methylbutyryloxy)-delta-cadinene-15-oate
Bexarotene
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XF - Retinoids for cancer treatment C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6073; ORIGINAL_PRECURSOR_SCAN_NO 6071 CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6096; ORIGINAL_PRECURSOR_SCAN_NO 6094 CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6097; ORIGINAL_PRECURSOR_SCAN_NO 6096 CONFIDENCE standard compound; INTERNAL_ID 501; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6100; ORIGINAL_PRECURSOR_SCAN_NO 6095 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3295
C21H32O4_(5beta,8alpha,9beta,10alpha,13alpha)-18-Methoxy-18-oxokauran-17-oic acid
C21H32O4_1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)
Tobramycin ion source fragment BCX, ring A fission
C21H32O4_2-{4a-Methyl-8-methylene-4-[(3-methylpentanoyl)oxy]decahydro-2-naphthalenyl}acrylic acid
Roxane
C19H28N2O4 (348.20489680000003)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
(1S,4aR,5S)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
(4aS,5R,6S,8aS)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid_81.3\\%
2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid_major
(1S,4aR,5S)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_major
(4aS,5R,6S,8aS)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid_major
2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid_65.4\\%
(1S,4aR,5S)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_2.2\\%
3b,15b,17a-Trihydroxy-Pregnenone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
methyl 6-hydroperoxy-4,8,11,14,17-eicosapentaenoate
methyl 8-hydroperoxy-5,9,11,14,17-eicosapentaenoate
methyl 9-hydroperoxy-5,7,11,14,17-eicosapentaenoate
methyl 11-hydroperoxy-5,8,12,14,17-eicosapentaenoate
9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
(4aS,5R,6S,8aS)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid
bhas#18
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#18 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans as well as the sour paste nematode, Panagrellus redivivus.
bhos#18
An omega-hydroxy fatty acid ascaroside that is oscr#18 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
ST 21:2;O4
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
BENZYL 4-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PIPERIDINE-1-CARBOXYLATE
C19H28N2O4 (348.20489680000003)
(R)-1-Boc-3-(Cbz-amino-methyl)-piperidine
C19H28N2O4 (348.20489680000003)
(S)-2-(DIBENZYLAMINO)-5-(1H-PYRROL-1-YL)PENTAN-2-OL
6-(tert-Butyloxycarbonyl-methylamino)-5-methylpyridine-3-boronic acid pinacol ester
(8R,9S,10R,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
4-(carboxy-p-tolyl-methyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
C19H28N2O4 (348.20489680000003)
Carpindolol
C19H28N2O4 (348.20489680000003)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
tert-Butyl 2-((3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)amino)acetate
TERT-BUTYL 4-(((BENZYLOXY)CARBONYL)AMINO)-4-METHYLPIPERIDINE-1-CARBOXYLATE
C19H28N2O4 (348.20489680000003)
CARBAMIC ACID, [TRANS-4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]CYCLOHEXYL]-, PHENYLMETHYL ESTER
C19H28N2O4 (348.20489680000003)
Methyl 1-Benzyl-4-(Boc-amino)piperidine-4-carboxylate
C19H28N2O4 (348.20489680000003)
(3-METHYL-PIPERAZIN-1-YL)-PHENYL-METHANONE
C19H28N2O4 (348.20489680000003)
(4-BENZYL-MORPHOLIN-2-YLMETHYL)-ETHYL-AMINE
C19H28N2O4 (348.20489680000003)
benzyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
C19H28N2O4 (348.20489680000003)
1-N-Cbz-4-Boc-(Aminomethyl)piperidine
C19H28N2O4 (348.20489680000003)
2-(4-Boc-piperazinyl)-4-phenylbutanoic acid
C19H28N2O4 (348.20489680000003)
1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate
C19H28N2O4 (348.20489680000003)
(6aS,10aR)-6,6,9-trimethyl-3-phenethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Benzene, 1-[(trans,trans)-4-ethenyl[1,1-bicyclohexyl]-4-yl]-4-ethoxy-2,3-difluoro-
C22H30F2O (348.22645939999995)
Iferanserin
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Iferanserin (S-MPEC) is a selective 5-HT receptor (serotonin receptor) antagonist with an affinity for 5-HT2A receptor. Iferanserin has the potential for internal hemorrhoid disease treatment[1].
(Z)-4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
(3R,10R)-10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyundecanoic acid
(3R)-11-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyundecanoic acid
(Z)-7-[(1R,2R,5S)-5-hydroxy-3-methylidene-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
21-Fluoro-11-hydroxy-pregn-4-ene-3,20-dione, (11beta)-
9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione
5-(5-Methoxy-3-methyl-5-oxopent-3-enyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
(1E,3R,10R,11S)-9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-5-one
(5Z)-5-[4-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
10,13-Dimethyl-17-(2,2,2-trihydroxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
rel-(-)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
A cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a hydroxy group at position 1 and a methoxy group at position 4. It has been isolated from the leaves of natural product found in Croton gratissimus.
(E)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one
6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C19H28N2O4 (348.20489680000003)
(Z)-7-[(1R,4S,5S,6S)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
9-(2-O-methyl-alpha-L-rhamnosyloxy)nonanehydrazide
2,3-dihydroxypropyl (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
(2R,3S,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-[(Z)-2-hydroxyethenoxy]cyclohexyl]oxyoxan-3-ol
[3-(3-Acetyloxy-2-butanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
[1-Carboxy-3-[2,3-di(propanoyloxy)propoxy]propyl]-trimethylazanium
17alpha,21-Dihydroxypregnenolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5β-dihydrocorticosterone
A 3-oxo-5beta-steroid formed from corticosterone by reduction across the C4-C5 double bond.
5alpha-Dihydrocorticosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Methyl-(10S)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate
Methyl-(10R)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate
bixin dialdehyde
An apo carotenoid that is the dialdehyde obtained by reduction of the terminal methyl ester and carboxy groups of bixin.
AC260584
C20H29FN2O2 (348.22129459999996)
AC260584 is an M1 muscarinic receptor allosteric agonist with a pEC50 of 7.6.
BDP9066
BDP9066 is a potent and selective myotonic dystrophy-related Cdc42-binding kinase MRCK inhibitor with an IC50 of 64 nM for MRCKβ in SCC12 cells, Ki values of 0.0136 nM and 0.0233 nM for MRCKα/β in house determinations, respectively. BDP9066 has therapeutic effect on skin cancer by reducing substrate phosphorylation.
2,5,5,8a-tetramethyl-5'-(2-oxoethylidene)-hexahydro-2h-spiro[naphthalene-1,2'-oxolan]-6-yl acetate
(6s)-6-[(1s,3ar,7ar)-6-acetyl-2,3,3a,4,7,7a-hexahydro-1h-inden-1-yl]-6-hydroxy-2-methylhept-1-en-3-yl acetate
methyl (2e)-4-[(1s,4ar,6s,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-2-[(2r)-oxiran-2-yl]but-2-enoate
methyl 2-{2-formyl-5,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-5'-yl}acetate
1-(1-hydroxyethyl)-7-isopropyl-4-methylidene-2-oxo-hexahydro-1h-inden-5-yl 3-methylpent-2-enoate
(1r,9r,12s,14r)-9,13,13-trimethyl-3-(2-phenylethyl)-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2,4,6-trien-5-ol
methyl (6z,8e,10s,12z,15z)-10-(acetyloxy)octadeca-6,8,12,15-tetraenoate
(6s)-3,6-dihydroxy-2-{[(1s,5r)-5-hydroxy-5-methyl-2-[(2r)-6-methylhept-5-en-2-yl]cyclopent-2-en-1-yl]methyl}cyclohex-2-en-1-one
(6e)-11-hydroxy-1-methoxy-10-methyl-6-[(2e)-4-methylpent-2-en-1-ylidene]-4-oxatricyclo[8.3.1.0²,⁷]tetradecan-3-one
(2r)-5-[(1s,4s,6s,10r,12s)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-yl]-5-oxopentan-2-yl acetate
methyl (1r,2s,6r,7s,12r)-12-isopropyl-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.0¹,¹⁰.0²,⁷]hexadec-10-ene-6-carboxylate
(4bs,8as,9r,10r)-2-isopropyl-3-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-4,9,10-triol
(3r,7r,11s)-11-hydroxy-6-[(2r,6s)-7-hydroxy-6-methylheptan-2-yl]-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
methyl (3s,8s,8ar)-8-isopropyl-5-methyl-3-{[(2r)-2-methylbutanoyl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
methyl 2-{7-hydroxy-3a,6,6,9a-tetramethyl-2-oxo-octahydrocyclopenta[a]naphthalen-3-ylidene}propanoate
methyl 2-[(1s,4as,5's,8as)-2-formyl-5,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-5'-yl]acetate
(2s,4as,7r,8ar)-7-[(2r)-1-methoxy-1-oxopropan-2-yl]-4a-methyl-1-methylidene-octahydronaphthalen-2-yl (2e)-2-methylbut-2-enoate
methyl (1s,4as,5r,6r,8as)-5-[2-(furan-3-yl)ethyl]-6-(hydroxymethyl)-1,4a-dimethyl-octahydronaphthalene-1-carboxylate
methyl 2-[(1s,3r,5e,7s,10e,14s)-7-hydroxy-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-3-yl]prop-2-enoate
2-hydroxy-4a,5-dimethyl-7-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl 3-methylpent-2-enoate
(2s,4as,7r,8ar)-7-[(2r)-1-methoxy-1-oxopropan-2-yl]-4a-methyl-1-methylidene-octahydronaphthalen-2-yl 3-methylbut-2-enoate
5-(5-methoxy-3-methyl-5-oxopent-3-en-1-yl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
2-(3,7-dimethylocta-2,6-dien-1-yl)-5-(2-phenylethenyl)benzene-1,3-diol
13-hydroxy-6-(2-hydroxy-6-methylhept-5-en-2-yl)-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
methyl (1s,4as,4br,8as)-8a-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
methyl 4-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-2-(oxiran-2-yl)but-2-enoate
(6s)-3,6-dihydroxy-2-{[(1r,5s)-5-hydroxy-5-methyl-2-[(2s)-6-methylhept-5-en-2-yl]cyclopent-2-en-1-yl]methyl}cyclohex-2-en-1-one
methyl 5-[2-(2,5-dihydrofuran-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
1-[(1s,3as,3br,7s,9br,11r,11as)-3a,7,11-trihydroxy-3b,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9ah,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
(1r,4ar,4br,7s,10ar)-7-hydroxy-7-isopropyl-1,4a,10a-trimethyl-9-oxo-3,4,4b,5,6,10-hexahydro-2h-phenanthrene-1-carboxylic acid
(1r,2s,3s,4r,7s,10s,11r)-3,11-dihydroxy-1-methoxy-10-methyl-4-(2-methylprop-1-en-1-yl)tricyclo[8.3.1.0²,⁷]tetradec-5-ene-6-carbaldehyde
(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-{[(2s)-2-methylbutoxy]methyl}-2-(2-methylpropoxy)oxan-3-yl acetate
4,5-dihydroxy-6-[(2-methylbutoxy)methyl]-2-(2-methylpropoxy)oxan-3-yl acetate
1-[4-hydroxy-7-(3-methylbut-2-en-1-yl)-1,3-dihydro-2-benzofuran-1-yl]octane-2,3-diol
methyl 2-[(1s,3r,7s,14s)-7-hydroxy-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-3-yl]prop-2-enoate
({5-hexyl-7-oxo-decahydropyrrolo[2,1-j]quinolin-3-yl}methyl)sulfanylcarbonitrile
(4r)-3,4-dihydroxy-2-{[(1s,2s,5r)-2-hydroxy-2-methyl-5-[(2e)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]methyl}cyclohex-2-en-1-one
(1s,2r,3r,4ar,5s,8as)-2-hydroxy-4a,5-dimethyl-7-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl (3e)-3-methylpent-3-enoate
(6ar,7s,8r,10as)-7-{2-[(3s,5s)-5-methoxyoxolan-3-yl]ethyl}-7,8-dimethyl-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-3-one
methyl (3s,8s,8ar)-8-isopropyl-5-methyl-3-[(3-methylbutanoyl)oxy]-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
methyl (1s,4s,5r,9r,10r,13r,15s)-10,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2e)-5-[(1r,4ar,8as)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-3-(methoxymethyl)pent-2-enoic acid
(1r,4ar,5s,8ar)-5-[(3e)-5-methoxy-3-methyl-5-oxopent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(6ar,7s,8r,10as)-7-{2-[(3s,5r)-5-methoxyoxolan-3-yl]ethyl}-7,8-dimethyl-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-3-one
methyl 16-isopropyl-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-15-ene-5-carboxylate
5-[(3z)-6-(methoxycarbonyl)-1,10-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-methylpentanoic acid
5-{5-[(acetyloxy)methyl]-8a-methyl-2-methylidene-octahydronaphthalen-1-yl}-3-methylpent-2-enoic acid
methyl (2z,4r)-5-[(1r,4ar,8ar)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-formyl-4-hydroxypent-2-enoate
2-(3,7-dimethylocta-2,6-dien-1-yl)-5-[(1e)-2-phenylethenyl]benzene-1,3-diol
methyl (2e)-5-[(1s,4ar,5r,8ar)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxo-hexahydronaphthalen-1-yl]-3-methylpent-2-enoate
(2r,3r)-1-[(1r)-4-hydroxy-7-(3-methylbut-2-en-1-yl)-1,3-dihydro-2-benzofuran-1-yl]octane-2,3-diol
17alpha,20r-dihydroxypregnan-3,16-dione
{"Ingredient_id": "HBIN001986","Ingredient_name": "17alpha,20r-dihydroxypregnan-3,16-dione","Alias": "17\u03b1,20r-dihydroxypregnan-3,16-dione","Ingredient_formula": "C21H32O4","Ingredient_Smile": "CC(C1(C(=O)CC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25877;6099","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}