Exact Mass: 414.111
Exact Mass Matches: 414.111
Found 500 metabolites which its exact mass value is equals to given mass value 414.111,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Asperuloside
Asperuloside is a iridoid monoterpenoid glycoside isolated from Galium verum. It has a role as a metabolite. It is an iridoid monoterpenoid, a beta-D-glucoside, a monosaccharide derivative, an acetate ester and a gamma-lactone. Asperuloside is a natural product found in Lasianthus curtisii, Galium spurium, and other organisms with data available. See also: Galium aparine whole (part of). A iridoid monoterpenoid glycoside isolated from Galium verum. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].
Pyrazosulfuron-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Lignans
Podofilox, also called podophyllotoxin, is a purer and more stable form of podophyllin in which only the biologically active portion of the compound is present. Podofilox is used to remove certain types of warts on the outside skin of the genital areas. Lignans is found in arrowroot and flaxseed. Lignans is found in arrowroot. Podofilox, also called podophyllotoxin, is a purer and more stable form of podophyllin in which only the biologically active portion of the compound is present. Podofilox is used to remove certain types of warts on the outside skin of the genital areas Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM. Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM.
Flecainide
A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial arrhythmias and tachycardias. Paradoxically, however, in myocardial infarct patients with either symptomatic or asymptomatic arrhythmia, flecainide exacerbates the arrhythmia and is not recommended for use in these patients. [PubChem] C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3020 CONFIDENCE standard compound; INTERNAL_ID 2276 D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Nafcillin
Nafcillin is only found in individuals that have used or taken this drug. It is a semi-synthetic antibiotic related to penicillin. [PubChem]Penicillinase-resistant penicillins exert a bactericidal action against penicillin-susceptible microorganisms during the state of active multiplication. All penicillins inhibit the biosynthesis of the bacterial cell wall. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3206
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
This compound belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.
Podofilox
Podophyllotoxin is an organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing a 3,4,5-trimethoxyphenyl substituent. It is found in the roots and rhizomes of Podophyllum species and is used for the topical treatment of genital warts. It has a role as an antineoplastic agent, a keratolytic drug, a tubulin modulator, a microtubule-destabilising agent, an antimitotic and a plant metabolite. It is a furonaphthodioxole, a lignan and an organic heterotetracyclic compound. ["Podofilox is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of external genital warts and perianal warts. Podofilox gel and solution are for topicalcutaneous use only.","External genital and perianal warts are caused by the human papillomavirus (HPV). HPV can be an opportunistic infection (OI) of HIV."] A lignan found in podophyllin resin from the roots of podophyllum plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have antineoplastic properties, as do some of its congeners and derivatives. The physiologic effect of podofilox is by means of Decreased Mitosis. Podofilox is a natural product found in Juniperus, Hernandia ovigera, and other organisms with data available. Podofilox is a pure, stabilized form of podophyllin, in which only the biologically active portion of the compound is present. Podophyllotoxin is a toxic, polycyclic antimitotic agent isolated primarily from the rhizome of the plant Podophyllum peltatum. This agent is formulated for topical applications. (NCI04) A lignan (lignans) found in podophyllin resin from the roots of podophyllum plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have antineoplastic properties, as do some of its congeners and derivatives. A lignan (LIGNANS) found in PODOPHYLLIN resin from the roots of PODOPHYLLUM plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have antineoplastic properties, as do some of its congeners and derivatives. A lignan (lignans) found in podophyllin resin from the roots of podophyllum plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have antineoplastic properties, as do some of its congeners and derivatives. [PubChem] An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing a 3,4,5-trimethoxyphenyl substituent. It is found in the roots and rhizomes of Podophyllum species and is used for the topical treatment of genital warts. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1331 - Epipodophyllotoxin Compound C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D003879 - Dermatologic Agents > D007641 - Keratolytic Agents C1907 - Drug, Natural Product Same as: D05529 Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM. Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM. Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II. Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II.
Vorasidenib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent Vorasidenib (AG-881) is an orally available, brain penetrant second-generation dual mutant isocitrate dehydrogenases 1 and 2 (mIDH1/2) inhibitor. Vorasidenib (AG-881) exhibits nanomolar inhibition of (D)-2-hydroxyglutarate (D-2-HG), and the IC50 ranges of 0.04~22 nM against IDH1 R132C, IDH1 R132G, IDH1 R132H and IDH1 R132S and 7~14 nM against IDH2 R140Q and 130 nM against IDH2 R172K[1][2].
a-L-Arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xylose
a-L-Arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xylose is produced of partial enzymic hydrolysis of xylans found in foods, e.g. rye flour. Production of partial enzymic hydrolysis of xylans found in foods, e.g. rye flour
Dulxanthone G
Dulxanthone G is found in fruits. Dulxanthone G is a constituent of Garcinia dulcis (mundu) Constituent of Garcinia dulcis (mundu). Dulxanthone G is found in fruits.
beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose
beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose is found in fruits. beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose is isolated from the mucilage of Opuntia ficus-indica (Indian fig). Isolated from the mucilage of Opuntia ficus-indica (Indian fig). beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose is found in fruits.
beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose
beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose is found in fruits. beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose is isolated from the mucilage of Opuntia ficus-indica (Indian fig). Isolated from the mucilage of Opuntia ficus-indica (Indian fig). beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose is found in fruits.
beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose
beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose is found in fruits. beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose is isolated from the mucilage of Opuntia ficus-indica (Indian fig). Isolated from the mucilage of Opuntia ficus-indica (Indian fig). beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose is found in fruits.
Dulxanthone H
Dulxanthone H is found in fruits. Dulxanthone H is a constituent of Garcinia dulcis (mundu) Constituent of Garcinia dulcis (mundu). Dulxanthone H is found in fruits.
a-L-Arabinofuranosyl-(1->3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose
a-L-Arabinofuranosyl-(1->3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose is found in green vegetables. a-L-Arabinofuranosyl-(1->3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose is a constituent of the anti-complementary arabinogalactan (AG IIb-1), isolated from the roots of Angelica acutiloba (Dong Dang Gui). Constituent of the anti-complementary arabinogalactan (AG IIb-1), isolated from the roots of Angelica acutiloba (Dong Dang Gui). a-L-Arabinofuranosyl-(1->3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose is found in green vegetables.
6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Edulone A
Edulone A is found in root vegetables. Edulone A is a constituent of Plectranthus edulis (oromo dinich) Constituent of Plectranthus edulis (oromo dinich). Edulone A is found in root vegetables.
5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
N-desalkyl delavirdine
N-desalkyl delavirdine is a metabolite of delavirdine. Delavirdine (DLV) (brand name Rescriptor) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) marketed by ViiV Healthcare. It is used as part of highly active antiretroviral therapy (HAART) for the treatment of human immunodeficiency virus (HIV) type 1. It is presented as the mesylate. The recommended dosage is 400 mg, three times a day. Although delavirdine was approved by the U.S. (Wikipedia)
5-Hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Apratastat
Asperuloside
Talniflumate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3'-Deoxyderhamnosylmaysin
3-deoxyderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-deoxyderhamnosylmaysin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3-deoxyderhamnosylmaysin can be found in corn, which makes 3-deoxyderhamnosylmaysin a potential biomarker for the consumption of this food product.
Xylotriose
Beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-D-Xylp is a xylotriose consisting of three D-xylose units connected via beta-(1->4)-linkages. Xylotriose is a natural product found in Streptomyces rameus with data available. Xylotriose is a natural xylooligosaccharide, acts as a bifidogenic factor[1].
0F35AOI227
Picropodophyllotoxin is an organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor, an insulin-like growth factor receptor 1 antagonist and a plant metabolite. It is a lignan, a furonaphthodioxole and an organic heterotetracyclic compound. Picropodophyllin has been investigated for the treatment of Non Small Cell Lung Cancer. Picropodophyllin is a natural product found in Juniperus, Juniperus thurifera, and other organisms with data available. Picropodophyllin is a cyclolignan alkaloid found in the mayapple plant family (Podophyllum peltatum), and a small molecule inhibitor of the insulin-like growth factor 1 receptor (IGF1R) with potential antineoplastic activity. Picropodophyllin specifically inhibits the activity and downregulates the cellular expression of IGF1R without interfering with activities of other growth factor receptors, such as receptors for insulin, epidermal growth factor, platelet-derived growth factor, fibroblast growth factor and mast/stem cell growth factor (KIT). This agent shows potent activity in the suppression o f tumor cell proliferation and the induction of tumor cell apoptosis. IGF1R, a receptor tyrosine kinase overexpressed in a variety of human cancers, plays a critical role in the growth and survival of many types of cancer cells. An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1331 - Epipodophyllotoxin Compound C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C1907 - Drug, Natural Product Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM. Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM.
Piscerisoflavone F
1,4-Bis(7-methoxybenzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan
Aciculatin
(2,3-trans-3,4-trans)-3,4-Methylenedioxy-3,4,5,8-tetramethoxy-[2,3:7,6]-furanoflavan
(2,3-trans-3,4-cis)-3,4-Methylenedioxy-3,4,5,6-tetramethoxy-[2,3:7,8]-furanoflavan
Quercetin 3,3-dimethyl ether 4-(2-methylbutyrate)
yahyaxanthone
A member of the class of pyranoxanthones that is 3H,7H-pyrano[2,3-c]xanthen-7-one substituted by a hydroxy group at position 6, methoxy groups at positions 5, 8, 10 and 11 and geminal methyl groups at position 3. Isolated from Garcinia rigida, it exhibits cytotoxic activity.
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
pinnatifinoside A
beta-Peltatin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.014 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.018 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.994 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.000
3,5,8,4-Tetrahydroxy-7,3-dimethoxy-6-(3-methylbut-2-enyl)flavone
3,5,8,4-Tetrahydroxy-7,3-dimethoxy-6- (3-methylbut-2'-enyl) flavone
Sphagnorubin C
Podophyllotoxin
Origin: Plant, Organic chemicals, Polycyclic compounds, Naphthalenes relative retention time with respect to 9-anthracene Carboxylic Acid is 0.992 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.994 Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM. Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM. Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II. Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II.
beta-D-Xylp-(1-4)-beta-D-Xylp-(1-4)-D-Xyl|xylotriose
9,10-Dihydro-6,7-dimethoxy-2,3,5-phenanthrenetriol triacetate
(2R,3S,4R)-3,3,4,5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan
alpha-L-Araf-(1 -> 2)-alpha-L-Araf-(1 -> 4)-L-Arap
4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-2-carboxypropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide
(2xi,3R)-7-(2-Acetoxy-1-methylethyl)-6,9-dihydroxy-3,4-dimethyl-3-(2-propenyl)naphthol<2,3-b>furan-2(3H),5,8-trion|(2xi,3R)-7-(2-Acetoxy-1-methylethyl)-6,9-dihydroxy-3,4-dimethyl-3-(2-propenyl)naphthol[2,3-b]furan-2(3H),5,8-trion
5,7,4-trihydroxy-3,3-dimethoxyflavone-4-O-(2-methylisobutyrate)|5,7,4-trihydroxy-3,3-dimethoxyflavone-4-O-<2-methylisobutyrate>
methyl rel-(1R,2S,3S)-2,2-bis-(7-methoxy-1,3-benzodioxol-5-yl)cyclobutanecarboxylate|peperotetrapin
6-(1-O-alpha-L-rhamano-pyranosyloxycarbonyl)-phenazine-1-dicarboxylic acid ester|izuminoside C
Asperuloside
Asperuloside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Asperuloside is soluble (in water) and a very weakly acidic compound (based on its pKa). Asperuloside can be found in bilberry, which makes asperuloside a potential biomarker for the consumption of this food product. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].
chaetoviridin E
An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum.
(2S,3S)-2,3-Bis(5-methoxy-3,4-methylenedioxybenzyl)-butyrolactone|(2S,3S)-2,3-bis(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
2-methylene-3-[(5-methoxy-3,4-methylenedioxyphenyl)(4-hydroxy-3,5-dimethoxyphenyl)methyl]butyrolactone
1-O-feruloy-l2-O-p-coumaroylglycerol|1-O-feruloyl-2-O-p-coumaroylglycerol
alpha-L-Araf-(1 -> 2)-alpha-L-Araf-(1 -> 5)-L-Araf
4-(cystein-S-yl)butyl desulfo-glucosinolate|glucorucolamine
3,6-dimethoxy-1,1-dimethylchromene-[2,3:7,8]-flavone
(3S,4R,4aR,4bS,5R,7aR,10aS)-3-(furan-3-yl)-3,4,4a,4b,5,7a,8,11-octahydro-4-hydroxy-4a-methyl-1,8-dioxo-1H-[2]benzofuro[4,3a-f]isochromene-5-yl acetate|15,16-epoxy-1beta-O-acetyl-11beta-hydroxy-12betaH-cleroda-2,7,13(16),14-tetraene-17,12:18,19-diolide|splendidin B
PELTATIN B
Beta-peltatin is an organic heterotetracyclic compound that is alpha-peltatin in which the phenolic hydroxy group of the 4-hydroxy-3,5-dimethoxyphenyl substitutent had been converted into the corresponding methyl ether. It has a role as an antineoplastic agent and a plant metabolite. It is a furonaphthodioxole, a lignan, a member of phenols, a gamma-lactone and an organic heterotetracyclic compound. It is functionally related to an alpha-peltatin. beta-Peltatin is a natural product found in Libocedrus bidwillii, Eriope macrostachya, and other organisms with data available. An organic heterotetracyclic compound that is alpha-peltatin in which the phenolic hydroxy group of the 4-hydroxy-3,5-dimethoxyphenyl substitutent had been converted into the corresponding methyl ether.
Epipodophyllotoxin
Epipodophyllotoxin is a natural product found in Juniperus sabina and Podophyllum peltatum with data available. A lignan (LIGNANS) found in PODOPHYLLIN resin from the roots of PODOPHYLLUM plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have antineoplastic properties, as do some of its congeners and derivatives. D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D003879 - Dermatologic Agents > D007641 - Keratolytic Agents (-)-Epipodophyllotoxin (2) is an antiproliferative agent against cancer cells isolated from American mayapple Podophyllum peltatum, with GI50s of 0.36 and 0.24 μM in HeLa cells and MCF-7 cells, respectively. (-)-Epipodophyllotoxin can inhibit mitotic spindle assembly in vitro[1]. (-)-Epipodophyllotoxin (2) is an antiproliferative agent against cancer cells isolated from American mayapple Podophyllum peltatum, with GI50s of 0.36 and 0.24 μM in HeLa cells and MCF-7 cells, respectively. (-)-Epipodophyllotoxin can inhibit mitotic spindle assembly in vitro[1]. (-)-Epipodophyllotoxin (2) is an antiproliferative agent against cancer cells isolated from American mayapple Podophyllum peltatum, with GI50s of 0.36 and 0.24 μM in HeLa cells and MCF-7 cells, respectively. (-)-Epipodophyllotoxin can inhibit mitotic spindle assembly in vitro[1]. (-)-Epipodophyllotoxin (2) is an antiproliferative agent against cancer cells isolated from American mayapple Podophyllum peltatum, with GI50s of 0.36 and 0.24 μM in HeLa cells and MCF-7 cells, respectively. (-)-Epipodophyllotoxin can inhibit mitotic spindle assembly in vitro[1].
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
C19H18N4O7_9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]
3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid
Podofilox
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1331 - Epipodophyllotoxin Compound C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D003879 - Dermatologic Agents > D007641 - Keratolytic Agents C1907 - Drug, Natural Product Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II. Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II.
flecainide
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849060]
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845603]
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]
4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]
3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid_major
Asp Gly His Ser
Asp Gly Ser His
Asp His Gly Ser
Asp His Ser Gly
Asp Ser Gly His
Asp Ser His Gly
Gly Asp His Ser
Gly Asp Ser His
Gly His Asp Ser
Gly His Ser Asp
Gly Ser Asp His
Gly Ser His Asp
His Asp Gly Ser
His Asp Ser Gly
His Gly Asp Ser
His-His-OH
beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose
2,2-Dimethylthiazolidine
beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose
a-L-Arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xylose
a-L-Arabinofuranosyl-(1->3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose
3-Hydroxy-7,8,14-trimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one
(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Lariam
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Phosphonium,triphenyl(3-phenyl-2-propen-1-yl)-, chloride (1:1)
2-[4-(hydrazinecarbonyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
a-D-Galactopyranose,1,2:3,4-bis-O-(1-methylethylidene)-, 6-(4-methylbenzenesulfonate)
2-Methylpropyl N-(2-chloropyridine-3-sulfonyl)-N-(3-Methoxy-5-Methylpyrazin-2-yl)carbamate
N-[6,7-dichloro-3-(2-phenylethenyl)quinoxalin-2-yl]-N,N,N-trimethylpropane-1,3-diamine
Pyrido[2,3-d]pyrimidine-6-carboxaldehyde,5-azido-1,2,3,4,7,8-hexahydro-8-methyl-2,4,7-trioxo-1,3-diphenyl-
Sancycline
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
2-ACETAMIDO-9-VINYL-9H-PURIN-6-YL DIPHENYLCARBAMATE
5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide
Pazufloxacin mesylate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Monomethylauristatin D
1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]ethanone
ethyl 5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, methanesulfonate (1:1)
Apratastat
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C1970 - Matrix Metalloproteinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
5-[(2-Methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
Rubrorotiorin
An azaphilone that is 6,6a-dihydro-8H-furo[2,3-h]isochromen-6,8(6aH)-dione substituted by an acetyl group at position 9, a chloro group a position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3 and a methyl group at position 6a. Isolated from Chaetomium cupreum, it exhibits antifungal activity.
alpha-L-Araf-(1->5)-alpha-L-Araf-(1->5)-alpha-L-Araf
(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
4-Methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid
Talniflumate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
477-47-4
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1331 - Epipodophyllotoxin Compound C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C1907 - Drug, Natural Product Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM. Picropodophyllin (AXL1717) is a selective insulin-like growth factor-1 receptor (IGF-1R) inhibitor with an IC50 of 1 nM.
Wartec
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1331 - Epipodophyllotoxin Compound C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D003879 - Dermatologic Agents > D007641 - Keratolytic Agents C1907 - Drug, Natural Product Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II. Podofilox (Podophyllotoxin) is a potent inhibitor of microtubule assembly and DNA topoisomerase II.
2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
2-acetyl-3,4a,10,11,12a-pentahydroxy-8-methoxy-4a,12a-dihydrotetracene-1,12(4H,5H)-dione
validoxylamine A 7-phosphate(1-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validoxylamine A 7-phosphate; major species at pH 7.3.
(4aR,12aR)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
(1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione
methyl [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide
5-[5-(2,3-Dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
4-(4-Acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester
1-[[(4-Ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester
1-(2,4-Dinitroanilino)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
3-Chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrole-2,5-dione
N-(5-methyl-3-isoxazolyl)-2-[(6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide
4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide
1-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(5R)-3-(4-dibenzothiophenyl)-5-(3,4-dimethoxyphenyl)-1-cyclohex-2-enone
Ethyl [5-benzyloxy-4-(trifluoromethyl)biphenyl-3-yl]acetate
2-[5-Phenoxy-4-(trifluoromethyl)biphenyl-3-yl]pentanoic acid
(5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
1-[(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
1-[(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
(2S,5S,6R)-6-[[(2-ethoxy-1-naphthalenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-fluorobenzamide
3,4,5-Trihydroxy-6-(4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid
6-[[6-[(E)-2-carboxyethenyl]-4-methoxy-1,3-benzodioxol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] propanethioate
(11S,13R,14S,15S,16R)-9,14,15-trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one
1,2-DI(Deuterioethynyl)-1,1,2,2-tetraphenyl-disilane
3-Hydroxy-7,8,14-trimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one
(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
nafcillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Pyrazosulfuron-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
A cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position.
BMS-192548
A member of the class of tetracyclines with formula C21H18O9, originally isolated from Aspergillus niger.
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide
5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide
beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose
2-(glutathion-S-yl)-1,4-hydroquinone(1-)
An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of 2-(glutathion-S-yl)hydroquinone; major species at pH 7.3.
(S)-BAY 2965501
(S)-BAY 2965501 is the left-handed isomer of BAY 2965501 (HY-153343). BAY 2965501 is a potent and selective diacylglycerol kinase zeta (DGKζ) inhibitor. BAY 2965501 induces pERK activation. BAY 2965501 can be used for the research of cancer[1].
Clozapine N-oxide (dihydrochloride)
Clozapine N-oxide dihydrochloride is a major metabolite of Clozapine and a human muscarinic designer receptors (DREADDs) agonist. Clozapine N-oxide dihydrochloride activates the DREADD receptor hM3Dq and hM4Di. Clozapine N-oxide dihydrochloride can cross the blood-brain barrier[1][2][3][4]. Clozapine is a potent dopamine antagonist and also a potent and selective muscarinic M4 receptor (EC50=11 nM) agonist[5][6].
(1e,6e)-4-(1,2-dihydroxyethyl)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
(12s,13r,14s)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-one
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(methyl-oxo-λ⁵-azanylidene)amino]methoxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5,7-dihydroxy-3-[(3s)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-8-yl]chromen-4-one
n-[(2s,3s,6r,8s)-4-chloro-3-ethenyl-8-hydroxy-3,7,7,10-tetramethyl-9,16-dioxo-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraen-2-yl]carboximidic acid
(2z)-2-[(4-hydroxyphenyl)methylidene]-7-methyl-6-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1-benzofuran-3-one
3-{[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-methyl-3-oxopropanoic acid
(1s,3as,4s,6ar)-1,4-bis(2h-1,3-benzodioxol-5-yl)-4-ethoxy-tetrahydrofuro[3,4-c]furan-3a-ol
3',4',5-trihydroxy-5'-(hydroxymethyl)-2-(4-hydroxyphenyl)-9h-spiro[furo[2,3-h]chromene-8,2'-oxolan]-4-one
(3s,4s)-3,4-bis[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
4,12-bis[(2e)-but-2-en-2-yl]-5-chloro-6,14-dihydroxy-7,15-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
(1r,2r,3s,4r,5s,9r)-5-acetyl-3,4,5-trihydroxy-8,8,16-trimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.1¹,⁴.0²,⁹.0³,⁷.0¹⁵,¹⁸]nonadeca-11,13,15(18)-triene-6,17-dione
[(5s)-5-[(2e)-4-[(8-methoxy-2-oxochromen-7-yl)oxy]-2-methylbut-2-en-1-yl]-2-oxo-5h-furan-3-yl]methyl acetate
4-[7-(acetyloxy)-5-hydroxy-6,8-dimethyl-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-2-methoxyphenyl acetate
[(4r,7s,8s,11s)-2-oxo-8-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate
(3r,4r,5r)-5-{[(2r,3s,4s)-3,4-dihydroxy-5-{[(3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}oxane-2,3,4-triol
2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
methyl (1r,2s,3s)-2,3-bis(7-methoxy-2h-1,3-benzodioxol-5-yl)cyclobutane-1-carboxylate
15-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-5-yl acetate
4-methoxy-6-[4-(7-methoxy-2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole
(5r,9s)-5'-(furan-3-yl)-2',6-dioxo-3-(2-oxopropyl)-4,7,8,9-tetrahydrospiro[cycloocta[c]furan-5,3'-oxolan]-9-yl acetate
13,17-dihydroxy-6-(1-hydroxypropan-2-yl)-16-methoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14(19),15,17-hexaen-12-one
6-(1-bromo-2-hydroxyethyl)-6,8b-dimethyl-1h,2h,2bh,3h,4h,4ah,5h,7h,9h,10h,10ah-cyclobuta[a]phenanthrene-2a,4,10-triol
5'-(furan-3-yl)-2',6-dioxo-3-(2-oxopropyl)-4,7,8,9-tetrahydrospiro[cycloocta[c]furan-5,3'-oxolan]-9-yl acetate
methyl 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-3h,4h,9h-pyrido[3,4-b]indole-3-carboxylate
(10r,11r,12r)-12-(2h-1,3-benzodioxol-5-yl)-2,8,10,11-tetramethoxy-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraene
(1r,2r,4s,6r,8s,9z,11s)-8-chloro-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl (2s,3s)-2,3-dihydroxy-2-methylbutanoate
2-hydroxy-3-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(5s,9s)-5'-(furan-3-yl)-2',6-dioxo-3-(2-oxopropyl)-4,7,8,9-tetrahydrospiro[cycloocta[c]furan-5,3'-oxolan]-9-yl acetate
2',2' '-dimethoxysesamin
{"Ingredient_id": "HBIN003700","Ingredient_name": "2',2' '-dimethoxysesamin ","Alias": "2',2' '-dimethoxysesamin","Ingredient_formula": "C22H22O8","Ingredient_Smile": "COC1=C(C=CC2=C1OCO2)C3C4COC(C4CO3)C5=C(C6=C(C=C5)OCO6)OC","Ingredient_weight": "414.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9971;9972","PubChem_id": "14539941","DrugBank_id": "NA"}
(2s,3s)-2,3-bis(5-methoxy-3,4-methylene-dioxybenzyl)-butyrolactone
{"Ingredient_id": "HBIN006693","Ingredient_name": "(2s,3s)-2,3-bis(5-methoxy-3,4-methylene-dioxybenzyl)-butyrolactone","Alias": "NA","Ingredient_formula": "C22H22O8","Ingredient_Smile": "COC1=CC(=CC2=C1OCO2)CC3COC(=O)C3CC4=CC5=C(C(=C4)OC)OCO5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2483","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer glycerol ester pmv70p691-118
{"Ingredient_id": "HBIN016346","Ingredient_name": "anticancer glycerol ester pmv70p691-118","Alias": "NA","Ingredient_formula": "C22H22O8","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OCC(COC(=O)C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1423","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bata- peltatin
{"Ingredient_id": "HBIN017618","Ingredient_name": "bata- peltatin","Alias": "NA","Ingredient_formula": "C22H22O8","Ingredient_Smile": "NA","Ingredient_weight": "414.4","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6423","PubChem_id": "NA","DrugBank_id": "NA"}
