Exact Mass: 412.1797
Exact Mass Matches: 412.1797
Found 500 metabolites which its exact mass value is equals to given mass value 412.1797
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Bisindolylmaleimide i
Isopentyl gentiobioside
Isopentyl gentiobioside is found in garden tomato. Isopentyl gentiobioside is a constituent of tomato cell cultures (Lycopersicon esculentum). Constituent of tomato cell cultures (Lycopersicon esculentum). Isopentyl gentiobioside is found in garden tomato.
Dicaffeoylputrescine
Dicaffeoylputrescine is found in fats and oils. Dicaffeoylputrescine is an alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Dicaffeoylputrescine is found in pomes and fats and oils.
Adapalene
Adapalene is a topical retinoid primarily used in the treatment of acne and is also used (off-label) to treat keratosis pilaris as well as other skin conditions. It is currently marketed by Galderma under the trade names Differin in some countries, and Adaferin in India. [Wikipedia] D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne 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 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
17-Hydroxypregnenolone sulfate
17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids (Wikipedia). 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Deoxypyridinoline
Deoxypyridinoline (DPD) is a breakdown product of type I fibrillar collagen, it occurs mainly in Type I collagen of bone. DPD shows a high specificity for bone, and the measurement of urinary DPD is not influenced by newly collagens and dietary intake. DPD cross-links of type 1 collagen are excreted in urine either as free or peptide-bound moieties. It is the peptide-bound cross-links that decrease by the greatest amount in response to bisphosphonate therapy. DPD is one of the most extensively characterized biochemical bone markers, but the interpretation of results is hampered by biologic and other preanalytical variability. Biochemical bone markers can provide a valuable tool in the management of metabolic bone diseases. Their most recognized application in clinical practice is for monitoring treatment for osteoporosis as an adjunct to bone mineral density measurements. Other applications that have been investigated include their use as a diagnostic tool for bone diseases other than osteoporosis and as predictive markers for bone loss and the risk of bone fracture. DPD measured in urine follow a circadian or diurnal cycle with a peak in the early morning and nadir in the late afternoon to early evening. The magnitude of the diurnal change, i.e., nadir concentration divided by peak concentration, expressed as a percentage is around 70\\% (range, 53-75\\%). (PMID: 11805003, 17229003, 16751696). Derived from collagen cross-links formed between adjacent lysine residues in type I collagen of bone and dentine. Released into serum during bone resorption
Cinalukast
Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
17-Hydroxypregnenolone 3-sulfate
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
6-(2,6-Dimethoxypyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
Rhomellose
3-[5-[(Dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
Trachyspic acid
An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.
[3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid
Penicitrinol B
A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol
(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol
(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Gardneramine
A natural product found in Gardneria ovata. Annotation level-1 (1R,3Z,4R,4aS,11bR,12aS,13S)-3,4,4a,5,12,12a-Hexahydro-8,10,11-trimethoxy-3-(2-methoxyethylidene)-4,1,11b-ethanylylidene-2H-pyrido[2′,3′:5,6]oxepino[2,3-b]indole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=34274-91-4 (retrieved 2024-08-14) (CAS RN: 34274-91-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol
(1S,4E,5S,6R,6aS,11aR)-6-[(acetyloxy)methyl]-4-ethylidene-1,2,3,4,5,6-hexahydro-11a,6a-(epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylic acid methyl ester|17-O-acetylaspidodasycarpine|aspidophylline B
12,13-dimethoxy-19-oxo-ibogamine-18-carboxylic acid methyl ester|19-Oxo-conopharyngin
1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide
(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside
6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin
(6b)|14-hydroxy-vomicine 21alpha,22alpha-epoxide|21,22alpha-epoxy-4,14-dihydroxy-19-methyl-(21alpha)-21,22-dihydro-16,19-seco-strychnidine-10,16-dione
(5beta)-17-O-deacetyl-5,11-dimethoxyakuammiline|methyl (5beta,15alpha,16R,19E)-17-hydroxy-5,11-dimethoxyakuammilan-16-carboxylate
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one
3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone
9,10,12,18-tetramethoxy-5,16-cyclo-corynoxa-16,19-dien-2-one
(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D
1-O-butanoyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|nonioside P
pentyl O-beta-(2-O-beta-D-glucopyranosyl)-D-glucopyranoside
(19R)-1-acetyl-17,19-epoxy-12-hydroxy-11-methoxy-4-methyl-3,4-seco-cur-20-en-3-one|12-hydroxy-11-methoxy-strychnobrasiline|12-Hydroxy-11-methoxystrychnobrasilin|12-Hydroxy-11-methoxystrychnobrasiline
jerantinine D
An indole alkaloid that is jerantinine C substituted by an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial
(3S)-3-hydroxy-16-hydroxymethyl-1,4-dimethyl-1H-2alpha,4-cyclo-3,4;4,21-diseco-akuammilane-17,21-dioic acid 17->3-lactone 21-methyl ester|(E)-2-((1S)-4-hydroxymethyl-9,10-dimethyl-3-oxo-3,4-dihydro-9H-9at,4at-[1]azapropano-1r,4c-ethano-pyrano[3,4-b]indol-13syn-yl)-but-2-enoic acid methyl ester|Eripin|eripine
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
Brucein E
Brucein E is a natural product found in Brucea javanica with data available.
C16H28O12_6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)
C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%
Ala Ala Asp His
Ala Ala His Asp
Ala Asp Ala His
Ala Asp His Ala
Ala Glu Gly His
Ala Glu His Gly
Ala Glu Pro Pro
Ala Gly Glu His
Ala Gly His Glu
Ala His Ala Asp
Ala His Asp Ala
Ala His Glu Gly
Ala His Gly Glu
Ala Pro Glu Pro
Ala Pro Pro Glu
Cys Gly His Pro
Cys Gly Pro His
Cys His Gly Pro
Cys His Pro Gly
Cys Pro Gly His
Cys Pro His Gly
Cys Pro Pro Pro
Asp Ala Ala His
Asp Ala His Ala
Asp His Ala Ala
Glu Ala Gly His
Glu Ala His Gly
Glu Ala Pro Pro
Glu Gly Ala His
Glu Gly His Ala
Glu His Ala Gly
Glu His Gly Ala
Glu Pro Ala Pro
Glu Pro Pro Ala
Gly Ala Glu His
Gly Ala His Glu
Gly Cys His Pro
Gly Cys Pro His
Gly Glu Ala His
Gly Glu His Ala
Gly His Ala Glu
Gly His Cys Pro
Gly His Glu Ala
Gly His Pro Cys
Gly Pro Cys His
Gly Pro His Cys
Gly Ser Ser Tyr
Gly Ser Tyr Ser
Gly Tyr Ser Ser
His Ala Ala Asp
His Ala Asp Ala
His Ala Glu Gly
His Ala Gly Glu
His Cys Gly Pro
His Cys Pro Gly
His Asp Ala Ala
His Glu Ala Gly
His Glu Gly Ala
His Gly Ala Glu
His Gly Cys Pro
His Gly Glu Ala
His Gly Pro Cys
His Pro Cys Gly
His Pro Gly Cys
Pro Ala Glu Pro
Pro Ala Pro Glu
Pro Cys Gly His
Pro Cys Pro Pro
Pro Glu Ala Pro
Pro Glu Pro Ala
Pro His Cys Gly
Pro His Gly Cys
Pro Pro Ala Glu
Pro Pro Cys Pro
Pro Pro Glu Ala
Pro Pro Pro Cys
Ser Gly Ser Tyr
Ser Gly Tyr Ser
Ser Ser Gly Tyr
Ser Ser Tyr Gly
Ser Tyr Gly Ser
Ser Tyr Ser Gly
Tyr Gly Ser Ser
Tyr Ser Gly Ser
Tyr Ser Ser Gly
Cinalukast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
Dicaffeoylputrescine
Isopentyl gentiobioside
4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate
2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione
4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate
ST 21:2;O3;S
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
1H-Pyrrolo[2,3-b]pyridine, 5-Methyl-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
(3s)-3-(Benzyloxycarbonyl-carboxyMethyl-amino)-pyrrolidine-1-carboxylic acid benzyl ester
Promethazine hcl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
(R-2-AMINO-1,1-DIFLUORO2-PHENYL)ETHYLPHOSPHONICACID
(S)-2-(((BENZYLOXY)CARBONYL)(1-((BENZYLOXY)CARBONYL)PYRROLIDIN-3-YL)AMINO)ACETIC ACID
N2-(4-METHOXYPHENYL)-N4,N6-DI-M-TOLYL-1,3,5-TRIAZINE-2,4,6-TRIAMINE
Decloxizine (dihydrochloride)
Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.
BIX02188
BIX02188 is a potent MEK5-selective inhibitor with an IC50 of 4.3 nM. BIX02188 inhibits ERK5 catalytic activity, with an IC50 of 810 nM.
1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone
ethane-1,2-diol,furan-2,5-dione,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol
N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide
6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one
N-{5-[4-(4-Methylpiperazin-1-YL)phenyl]-1H-pyrrolo[2,3-B]pyridin-3-YL}nicotinamide
5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile
Atr kinase inhibitor AZD6738
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
ADAPALENE
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne 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 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
Gardneramine
3,4,6-Trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene is a member of indoles. 3,4,6-Trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene is a natural product found in Pinalia multiflora, Gardneria ovata, and Gardneria multiflora.
Ultiva
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
17-Hydroxypregnenolone 3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine
N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide
6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
7-Methyl-14-morpholin-4-yl-11-thia-3,8,13-triazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),13,15(20)-tetraene-4,9-dione
N-(2-fluorophenyl)-2-oxo-2-[(2E)-2-{2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzylidene}hydrazinyl]acetamide
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(8-quinolinylsulfonyl)amino]acetamide
1-[2-[(3-Cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
1-(4-isopropylphenyl)-5-[(2-phenyl-5-pyrimidinyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
(1R,12S,13S,16Z,17R,19S)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-benzylacetamide
2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
1-[(2S,3S)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
(1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
dimethyl (1R,16R,18R,21S)-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
2-[(3R)-3-benzylpiperazin-1-yl]-4-(4-imidazol-1-ylphenoxy)pyrimidine
(16E)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione
7-Benzyloxy-2,3-dihydro-2,2-dimethyl-O,6-BI(4H-1-benzopyran)-4-one
17alpha-hydroxypregnenolone 3-sulfate
A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.
Desmethyl cariprazine
Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic agent candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].
HIF1-IN-3
HIF1-IN-3 (compound F4) is a potent HIF1 inhibitor with an EC50 value of 0.9 μM. HIF1-IN-3 can be used for researching anticancer[1].
methyl (14e)-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
(3as,4r,8r,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2s,3s)-2-hydroxy-2-(hydroxymethyl)-3-sulfanylbutanoate
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid
(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
methyl (12r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
(1r,2s,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
methyl (1s,12r,19r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
methyl (11r,14e,15s,17s)-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate
(1's,2s,3'r,4s,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid
4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
methyl (1r,12s,13r,15s,20r)-12-ethyl-4,5-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.0¹,⁹.0²,⁷.0¹³,¹⁵.0¹⁷,²⁰]icosa-2,4,6,9-tetraene-10-carboxylate
7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate
{1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid
(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one
10,11-dimethoxynareline
{"Ingredient_id": "HBIN000011","Ingredient_name": "10,11-dimethoxynareline","Alias": "NA","Ingredient_formula": "C22H24N2O6","Ingredient_Smile": "CC=C1C2CC3C4=NC5=CC(=C(C=C5C4(C2C(=O)OC)C6C1N3OC6O)OC)OC","Ingredient_weight": "412.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730876","DrugBank_id": "NA"}
19-(r)-acetoxydihydrogelsevirine
{"Ingredient_id": "HBIN002212","Ingredient_name": "19-(r)-acetoxydihydrogelsevirine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "161","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-(r)-acetyldihydrogelseevirine
{"Ingredient_id": "HBIN002213","Ingredient_name": "19-(r)-acetyldihydrogelseevirine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26100","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22-o-acetyl-nb-demethyl-echitamine
{"Ingredient_id": "HBIN003743","Ingredient_name": "22-o-acetyl-nb-demethyl-echitamine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "372","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22-o-acetyl-n-demethyl-echitamine
{"Ingredient_id": "HBIN003744","Ingredient_name": "22-o-acetyl-n-demethyl-echitamine","Alias": "NA","Ingredient_formula": "C23H28N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26103","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3S)- pterosin S- 14- O- β-glucopyranoside
{"Ingredient_id": "HBIN006732","Ingredient_name": "(2S,3S)- pterosin S- 14- O- \u03b2-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H28O9","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCOC3C(C(C(C(O3)CO)O)O)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}