Exact Mass: 352.1549
Exact Mass Matches: 352.1549
Found 500 metabolites which its exact mass value is equals to given mass value 352.1549,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sudan_III
Sudan III is a bis(azo) compound that is 2-naphthol substituted at position 1 by a 4-{[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. It has a role as a fluorochrome, a histological dye and a carcinogenic agent. It is a member of azobenzenes, a bis(azo) compound and a member of naphthols. It is functionally related to a 2-naphthol. D004396 - Coloring Agents
Palmatine
Annotation level-1 Palmatine is a berberine alkaloid and an organic heterotetracyclic compound. It has a role as a plant metabolite. Palmatine is a natural product found in Coptis chinensis var. brevisepala, Thalictrum petaloideum, and other organisms with data available. See also: Berberis aristata stem (part of). KEIO_ID P071; [MS2] KO009210 KEIO_ID P071
Ajmalicine
Ajmalicine is a monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from several Rauvolfia and Catharanthus species. It is a selective alpha1-adrenoceptor antagonist used for the treatment of high blood pressure. It has a role as an antihypertensive agent, an alpha-adrenergic antagonist and a vasodilator agent. It is a monoterpenoid indole alkaloid, a methyl ester and an organic heteropentacyclic compound. It is a conjugate base of an ajmalicine(1+). Ajmalicine is a natural product found in Crossosoma bigelovii, Rauvolfia yunnanensis, and other organisms with data available. A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from several Rauvolfia and Catharanthus species. It is a selective alpha1-adrenoceptor antagonist used for the treatment of high blood pressure. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents INTERNAL_ID 2326; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2326 [Raw Data] CB001_Ajmalicine_pos_40eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_10eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_50eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_20eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_30eV_CB000004.txt Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2].
17beta-Estradiol 3-sulfate
17beta-Estradiol 3-sulfate, also known as estradiol 3-sulfuric acid or estradiol-17beta 3-sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 17beta-Estradiol 3-sulfate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle(Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Rhazin
Akuammidine is a natural product found in Aspidosperma quebracho-blanco, Tabernaemontana citrifolia, and other organisms with data available.
Vobasine
An indole alkaloid that is vobasan in which the bridgehead methyl group is substituted by a methoxycarbonyl group and an additional oxo substituent is present in the 3-position.
Lochnericine
An Aspidosperma alkaloid with molecular formula C21H24N2O3 found in the roots of Madagascar periwinkle (Catharanthus roseus, formerly known as Vinca rosea).
1,2-dihydrovomilenine
An indole alkaloid obtained by selective hydrogenation of the 1,2-position of vomilenine.
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime
17beta-Estradiol 3-phosphate
Raucaffrinoline
An indole alkaloid having a ajmalan-type skeleton and characterised by a 17alpha-acetoxy group, a 21beta-methyl group, loss of the 1-methyl group with associated unsaturation at N(1)=C(2), and a 20alpha-hydroxymethyl group in place of the 20beta-ethyl side-chain.
(3R)-3-hydroxy-1,2-didehydro-2,3-dihydrotabersonine
Tetrahydroalstonine
Annotation level-1 D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CASMI2013 Challenge_14 MS2 data
Moschamine
N-feruloylserotonin is a member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin. It has a role as a plant metabolite. It is a member of hydroxyindoles, a member of cinnamamides, a member of phenols, an aromatic ether and a secondary carboxamide. It is functionally related to a ferulic acid. Moschamine is a natural product found in Centaurea arenaria, Phyllostachys reticulata, and other organisms with data available. Alkaloid from Carthamus tinctorius (safflower). Nb-trans-Feruloylserotonin is found in fats and oils and herbs and spices. Moschamine is found in fats and oils. Moschamine is an alkaloid from Carthamus tinctorius (safflower). A member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin. N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1]. N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1].
Quebrachidine
Quebrachidine is an alkaloid from Aspidosperma quebracho-blanco (quebracho D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
Coriandrone D
Constituent of Coriandrum sativum (coriander) (Umbelliferae). Coriandrone D is found in coriander and herbs and spices. Coriandrone D is found in coriander. Coriandrone D is a constituent of Coriandrum sativum (coriander) (Umbelliferae)
(+)-Quebrachidine
(+)-Quebrachidine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
Ajmalicine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine
Estradiol 17-sulfate
N-[2-(5-Hydroxy-1H-indol-3-YL)ethyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enamide
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
[(8R,9S,13S,14S)-13-Methyl-17-oxo-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Cerasin
Cerasin, also known as sudan iii or d and c red #17, is a member of the class of compounds known as azobenzenes. Azobenzenes are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. Cerasin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cerasin can be found in sour cherry, which makes cerasin a potential biomarker for the consumption of this food product. Uses include: An alternative to beeswax in ointments (Historic) Laboratory-supply bottles for small amounts of hydrofluoric acid, which were made of ceresin wax; this was before polyethylene became commonplace .
Lamuran
Tetrahydroalstonine is a heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. It has a role as a plant metabolite. It is a yohimban alkaloid, an organic heteropentacyclic compound and a methyl ester. It is a conjugate base of a tetrahydroalstonine(1+). Tetrahydroalstonine is a natural product found in Ochrosia elliptica, Tabernanthe iboga, and other organisms with data available. See also: Cats Claw (part of). A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Methyl 8-oxo-2,3-didehydroaspidospermidine-3-carboxylate
7-Methoxy-8-(3-methoxy-3-methyl-1-butenyl)flavanone
Protostrychnine
A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from Strychnos icaja and Strychnos nux-vomica.
4-O-Methylbavachalcone
A member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5, a hydroxy group at position 2 and methoxy groups at positions 4 and 4 respectively.
Ovalichalcone
PK 11195
CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9620; ORIGINAL_PRECURSOR_SCAN_NO 9615 D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9662; ORIGINAL_PRECURSOR_SCAN_NO 9657 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9671 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9711; ORIGINAL_PRECURSOR_SCAN_NO 9708 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9728; ORIGINAL_PRECURSOR_SCAN_NO 9727 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9742; ORIGINAL_PRECURSOR_SCAN_NO 9741
9-Tigloyl,2-Me ether,10-Ac-p-Mentha-1,3,5-triene-2,5,8,9,10-pentol
2,2-Dimethyl-4,6-bis(acetoxymethyl)-5-(2-chloroethyl)indan
(2S,3S)-Phenylacetylpterosin C|Phenylacetylpterosin C|Phenylactylpterosin C
10-oxo-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester|Ervinidin|Ervinidinin
ethyl 5-acetoxy-4-(4-acetoxy-3-methoxyphenyl)pentanoate
1alpha-acetoxy-11-hydroxy-2,8-dioxo-eudesman-3-en-12-oic acid methyl ester
(2R)-2-beta-D-glucopyranosyloxy-2-(2-methylpropyl)butanedioic acid|dactylorhin C
1-oxoacetyl-cur-19-en-17-ol cyclic hemiacetal|11-hydroxy-12-oxa-12,23-seco-12a-homo-24-nor-strychnidin-10-one|15-ethylidene-10-hydroxy-2,3,12a,13,14,14a-hexahydro-12H,12bH-1,13-ethano-[1,4]oxazepino[4,5,6-lm]pyrrolo[2,3-d]carbazol-9-one|25-nor-tsilanine|O-Demethyltsilanin
8-C-methyl-9-O-methylteretifolione B|Me ether-2-Methylteretifolione B
2-Hydroxy-4,6-dimethoxy-3-prenylchalcone|Ovalichalcone
6,7-Dehydro-8-oxokopsinin|8-oxo-aspidofractinine-3-carboxylic acid methyl ester
1alpha-hydroxy-6beta-isobutyroxy-9-oxo-10beta-H-furanoeremophilane
(1alpha,3alpha,4beta,9beta)-8beta-methoxy-9alpha-hydroxy-15-acetyl-1H-lindan-4,7(11)-dien-12,8alpha-olide|chlorojapolide E
(17alpha)-17-hydroxy-Delta14-kopsinine|17-alpha-hydroxy-Delta14,15-kopsinine|17-Hydroxy-Delta14,15-kopsinine|17alpha-hydroxy-Delta14,15-kopsinine
19(E)-9,18-didemethoxygardneramine
A natural product found in Gardneria ovata.
1alpha-acetoxy-7-oxo-14-methylvoucapane-5(6),8(14),9(11)-diene|caesalpin D
(E)-3-chloro-2,9-dihydroxyheptadeca-10,16-diene-4,6-diynyl acetate|asterynes A
N-(4-(2-(4-hydroxyphenyl)acetamido)butyl)cinnamamide|perviridamide
(15beta,16E,17b,20a)-16-ethylidene-17-hydroxy-20-methyl-18-oxayohimban-21-one|Latifoliamide B
(Z)-methyl 2-((4R,4aS,5S,5aR,6aS,6bS)-4-acetoxy-5-(hydroxymethyl)-5,6b-dimethyl-2-oxohexahydro-2H-cyclopropa[4,5]cyclopenta[1,2-b]pyran-3(6bH)-ylidene)propanoate|linderolide M
(E)-4-hydroxy-2-(hydroxymethyl)but-2-enenitrile 4-O-beta-D-glucopyranoside 6?-O-(2?S,3?R)-2?-ethyl-2?,3?-dihydroxybutyrate|microtropin E
2,5alpha-epoxy-1-methyl-(2alpha)-1,2-dihydro-akuammilan-17-oic acid methyl ester|Ervincin|N-methyl-picrinine
16-(hydroxymethyl)pleiocarpamine|16-Hydroxymethylpleiocarpamine
(2S)-4,4-dimethoxy-ongokein|(2S)-5-hydroxy-2-(1-hydroxy-4,4-dimethoxycyclohexyl)-7-methoxychroman-4-one
tert-Butyl glycoside-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose
3-acetoxy-2-hydroxy-2-(2-hydroxy-4-methyl-5-methoxyphenyl)propyl tiglate
Des-N-(methoxycarbonyl)chanofruticosin-methylester
(15alpha,16R,19E)-10-methoxy-17,22-epoxyvobasan-3-one|10-methoxy-16-de(methoxycarbonyl)pagicerine
17-acetoxy-21-methyl-18-nor-sarpagan-19-al|O-Acetyl-preperakin
(Z)-Akuammidine
1ST169511
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
C22H24O4_1,2-Cyclohexanediol, 3,6-diphenyl-, diacetate
C18H24O7_(3aR,4S,5aR,6R,9aS,9bS)-6-Hydroxy-5a-methyl-3-methylene-2,9-dioxododecahydronaphtho[1,2-b]furan-4-yl 3-hydroxy-2-methylpropanoate
C21H24N2O3_(1S,8R,16S,17R)-11,12-Dimethoxy-5,15-diazahexacyclo[13.4.2.0~1,16~.0~5,16~.0~8,17~.0~9,14~]henicosa-2,9,11,13-tetraen-21-one
(1S,8R,16S,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.0¹,¹⁶.0⁵,¹⁶.0⁸,¹⁷.0⁹,¹⁴]henicosa-2,9,11,13-tetraen-21-one
akuammigine
A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from Vinca sardoa and Uncaria rhynchophylla. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
raubasine
Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2].
Quebrachidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
Palmatin
Origin: Plant; Formula(Parent): C21H22NO4; Bottle Name:Palmatine chloride; PRIME Parent Name:Palmatine; PRIME in-house No.:V0288; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
(2-acetyloxy-3,6-diphenylcyclohexyl) acetate_major
Palmatine
Palmatine is a berberine alkaloid and an organic heterotetracyclic compound. It has a role as a plant metabolite. Palmatine is a natural product found in Coptis chinensis var. brevisepala, Thalictrum petaloideum, and other organisms with data available. See also: Berberis aristata stem (part of).
Gly Gly Gly Tyr
Gly Gly Tyr Gly
Gly Tyr Gly Gly
Tyr Gly Gly Gly
Coriandrone D
Moschamine
N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1]. N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1].
(S)-1-(((9H-FLUOREN-9-YL)METHOXY)CARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
1-(2-Hydroxyethyl)-3,3-Dimethyl-6-Nitrospiro[1(2H)-Benzopyran-2,2-Indoline]
DI-TERT-BUTYL (DISULFANEDIYLBIS(ETHANE-2,1-DIYL))DICARBAMATE
(2-TERT-BUTOXYCARBONYLAMINO-PYRIDIN-4-YL)-ACETICACID
(4-CHLORO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)BORONIC ACID
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-4-((TERT-BUTOXYCARBONYL)AMINO)BUTANOIC ACID
Leniquinsin
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Spiro[2H-1-benzopyran-2,2-[2H]indole],1,3-dihydro-8-methoxy-1,3,3-trimethyl-6-nitro-
Piperazin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone hydrochloride
2,6-BIS[(E)-1H-INDOL-3-YLMETHYLIDENE]CYCLOHEXANONE
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)BENZO[D]THIAZOL-2-AMINE
2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride
1-Methyl-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(phenylmethyl)-N-propyl- (9CI)
3-[N,N-bis(methoxycarbonylethyl)]amino-4-methoxy acetanilide
[3-(2,6-diphenylpyrimidin-4-yl)phenyl]boronic acid
methyl 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(piperazin-1-yl)benzoate
methyl 2-(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxamido)acetate
4-(4-(tert-butoxycarbonyl)piperazine-1-carbonyl)-3-fluorophenylboronic acid
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-hydroxypyrimidine-5-carboxylate
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-methyl-1H-pyrazol-5-YL]-6-ethylbenzene-1,3-diol
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
(Z)-2-(4-methylpiperidin-1-yl)-5-((3-phenyl-1H-pyrazol-4-yl)methylene)thiazol-4(5H)-one
3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
Estradiol 17-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
2-(1,3-Benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
6-Methyl-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
4-[(1r)-1-Amino-2-(2,5-Difluorophenyl)ethyl]biphenyl-3-Carboxamide
9-[6(RS)-C-carboxamido-5,6,7-trideoxy-beta-D-ribo-octofuranosyl]-9H-purin-6-amine
(1R,4Z,6R,7R)-4-ethylidene-7,14-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
3-[(2E,4E)-4,6-dimethyl-2,4-octadienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-2(1H)-pyridinone
(2R,3S,5Z,9R)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-11(18),12,14-triene-4,6,17-trione
(3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) hydrogen sulfate
[(8R,9S,13S,14S)-13-Methyl-17-oxo-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
N,N-((1z,3z)-1,4-bis(4-methoxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
A natural product found in Aspergillus fumigatus and Streptomyces peucetius.
2-(4-(2-methoxyphenoxy)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol
N-[3-(1-imidazolyl)propyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
N-[(tert-butylamino)-oxomethyl]-2-[4-(3-chlorophenyl)-1-piperazinyl]acetamide
1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-furo[3,2-b]pyrrolecarboxylic acid ethyl ester
2-(2-Cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester
4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1H-quinoline-3-carboxaldehyde
1-methyl-2-spiro[12H-benzimidazolo[1,2-c]quinazoline-6,3-indole]one
[4-(Phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-(1-piperidinyl)methanone
Acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester
1-[1-(4-Methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-piperidinecarboxamide
4-[2-(3-Fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
6-[[(6-Methyl-9-indolo[3,2-b]quinoxalinyl)amino]methylidene]-1-cyclohexa-2,4-dienone
2-phenyl-N-(3-pyridinylmethyl)-4-benzofuro[3,2-d]pyrimidinamine
2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)-4-quinazolinamine
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
N-benzyl-N-isopropyl-N-[4-(trifluoromethoxy)phenyl]urea
2-O-acetyl-alpha-D-abequopyranosyl-(1->3)-alpha-D-mannopyranose
A glycosylmannose derivative in which 2-O-acetyl-alpha-D-abequopyranose is linked alpha(1->3) to alpha-D-mannopyranose.
6-deoxy-2-O-(6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranosyl)-3-O-methyl-alpha-L-mannopyranose
3-O-(2,3,4-tri-O-methyl-alpha-L-fucopyranosyl)-alpha-L-rhamnopyranose
2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
2-cyclopropyl-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-2-thiazolimine
(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] propanoate
1,1,2,2,3,3-Hexamethyl-4,5-diphenyl-1,2,3-trisilacyclopent-4-ene
(Trimethyl-1,1-diphenyldisilanyl)trimethylsilylacetylene
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
Estradiol-3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
PK11195
D000970 - Antineoplastic Agents
3-hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-3-methylbutan-2-yl acetate
17beta-Estradiol 17-sulfate
A steroid sulfate obtained by the formal condensation of sulfuric acid with the 17-hydroxy group of 17beta-estradiol.
alpha-L-Rhap2,3Me2-(1->2)-alpha-L-Rhap3Me
A disaccharide derivative consisting of 3-O-methyl-alpha-L-rhamnose having a 2,3-di-O-methyl-alpha-L-rhamnosyl residue attached at the 2-position.
17beta-Estradiol 3-sulfate
A steroid sulfate obtained by the formal condensation of sulfuric acid with the 3-hydroxy group of 17beta-estradiol.
1-lauroyl-sn-glycerol 3-phosphate(2-)
An anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-lauroyl-sn-glycerol 3-phosphate.
2,3,4-tri-O-methyl-alpha-L-fucosyl-(1->3)-alpha-L-rhamnose
A glycosylrhamnose derivative consisting of alpha-L-rhamnose having a 2,3,4-tri-O-methyl-alpha-L-fucosyl residue attached at the 3-position.
N-Acetyldesloratadine
N-Acetyldesloratadine (SCH-37370) is a potent, orally active dual antagonist of platelet-activating factor (PAF) and histamine. N-Acetyldesloratadine inhibits PAF-induced aggregation of human platelets, with an IC50 of 0.6 μM[1].
(7r,8s,8ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1h-isochromen-6-one
2,2-dimethyl-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]chromene
(2r,4r)-4,5-dimethoxy-8,8-dimethyl-2-phenyl-2h,3h,4h-pyrano[2,3-f]chromene
(2r,3r,4r,5r,7s)-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraen-5-ol
8,10-dimethoxy-12-phenyl-4-(prop-1-en-2-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene
{6-[(acetyloxy)methyl]-5-(2-chloroethyl)-2,2-dimethyl-1,3-dihydroinden-4-yl}methyl acetate
2-[(9s)-5,15-dihydroxy-4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-yl]acetonitrile
(2z)-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraen-5-ol
13-isopropyl-14,15-dimethoxy-7,7-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dione
(1r,3r,4s,7s)-3-hydroxy-5-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,3-dimethyl-7-phenylbicyclo[2.2.2]octane-2,6-dione
methyl 2-[5-(acetyloxy)-4a,8-dimethyl-3,6-dioxo-2,4,5,8a-tetrahydro-1h-naphthalen-2-yl]-2-hydroxypropanoate
(1s,3s,4s,5s,6s,7s,10r)-4,5,6-trihydroxy-9,9-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-2,8-dioxatricyclo[5.4.0.0¹,³]undecan-10-yl acetate
5,6,7-trihydroxy-10,10-dimethyl-4-(3-methylbut-3-en-1-yn-1-yl)-3,11-dioxatricyclo[5.4.0.0²,⁴]undecan-9-yl acetate
2-[(4-hydroxy-3,6-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s)-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxy-octahydroisoindol-2-yl]-5-guanidino pentanoicacid
{"Ingredient_id": "HBIN006579","Ingredient_name": "(2s)-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxy-octahydroisoindol-2-yl]-5-guanidino pentanoicacid","Alias": "NA","Ingredient_formula": "C16H24N4O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6340","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-4',4'-dimethoxy-ongokein
{"Ingredient_id": "HBIN006735","Ingredient_name": "(2s)-4',4'-dimethoxy-ongokein","Alias": "NA","Ingredient_formula": "C18H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6270","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-82
{"Ingredient_id": "HBIN016338","Ingredient_name": "anticancer flavonoid pmv70p691-82","Alias": "NA","Ingredient_formula": "C22H24O4","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1413","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
