Exact Mass: 410.1642
Exact Mass Matches: 410.1642
Found 500 metabolites which its exact mass value is equals to given mass value 410.1642,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bruceine
Bruceine D is a quassinoid that is 13,20-epoxypicras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 14 and 15 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. It has a role as a metabolite, an antineoplastic agent and a plant metabolite. It is a delta-lactone, a pentol, a quassinoid, an organic heteropentacyclic compound and a secondary alpha-hydroxy ketone. It derives from a hydride of a picrasane. Brucein D is a natural product found in Brucea javanica, Brucea mollis, and Samadera indica with data available. A quassinoid that is 13,20-epoxypicras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 14 and 15 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. Bruceine D is a Notch inhibitor with anti-cancer activity and induces apoptosis in several human cancer cells. Bruceine D is an effective botanical insect antifeedant with outstanding systemic properties, causing potent pest growth inhibitory activity[1][2]. Bruceine D has strong anthelmintic activity against D. intermedius with an EC50 value of 0.57 mg/L[3]. Bruceine D is a Notch inhibitor with anti-cancer activity and induces apoptosis in several human cancer cells. Bruceine D is an effective botanical insect antifeedant with outstanding systemic properties, causing potent pest growth inhibitory activity[1][2]. Bruceine D has strong anthelmintic activity against D. intermedius with an EC50 value of 0.57 mg/L[3].
alpha-Mangostin
Alpha-mangostin is a member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. It has a role as an antineoplastic agent, an antimicrobial agent, an antioxidant and a plant metabolite. It is a member of xanthones, a member of phenols and an aromatic ether. Mangostin is a plant/plant extract used in some OTC (over-the-counter) products. It is not an approved drug. alpha-Mangostin is a natural product found in Garcinia merguensis, Garcinia cowa, and other organisms with data available. See also: Garcinia mangostana fruit rind (part of). A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. alpha-Mangostin is found in fruits. alpha-Mangostin is a pigment from Garcinia mangostana (mangosteen Pigment from Garcinia mangostana (mangosteen). alpha-Mangostin is found in fruits. alpha-Mangostin (α-Mangostin) is a dietary xanthone with broad biological activities, such as antioxidant, anti-allergic, antiviral, antibacterial, anti-inflammatory and anticancer effects. It is an inhibitor of mutant IDH1 (IDH1-R132H) with a Ki of 2.85 μM. alpha-Mangostin (α-Mangostin) is a dietary xanthone with broad biological activities, such as antioxidant, anti-allergic, antiviral, antibacterial, anti-inflammatory and anticancer effects. It is an inhibitor of mutant IDH1 (IDH1-R132H) with a Ki of 2.85 μM.
1-Isomangostin
Constituent of Garcinia mangostana (mangosteen). 1-Isomangostin is found in fruits and purple mangosteen. 1-Isomangostin is found in fruits. 1-Isomangostin is a constituent of Garcinia mangostana (mangosteen)
Oseltamivir phosphate
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Linrodostat
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor D004791 - Enzyme Inhibitors C274 - Antineoplastic Agent
3-Isomangostin
3-Isomangostin is a member of xanthones. 3-Isomangostin is a natural product found in Garcinia morella, Cratoxylum formosum, and other organisms with data available. Constituent of Garcinia mangostana (mangosteen). 3-Isomangostin is found in fruits and purple mangosteen. 3-Isomangostin is found in fruits. 3-Isomangostin is a constituent of Garcinia mangostana (mangosteen). 3-Isomangostin, extracted from Garciniamangostana.L. shell, is a potent MutT homologue 1 (MTH1) inhibitor with an IC50 value of 52?nM. 3-Isomangostin would be an attractive chemical tool for the development of anticancer agents[1]. 3-Isomangostin, extracted from Garciniamangostana.L. shell, is a potent MutT homologue 1 (MTH1) inhibitor with an IC50 value of 52?nM. 3-Isomangostin would be an attractive chemical tool for the development of anticancer agents[1].
Clobetasol
Clobetasol is only found in individuals that have used or taken this drug. It is a derivative of prednisolone with high glucocorticoid activity and low mineralocorticoid activity. Absorbed through the skin faster than fluocinonide, it is used topically in treatment of psoriasis but may cause marked adrenocortical suppression. [PubChem]The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. Initially, however, clobetasol, like other corticosteroids, bind to the glucocorticoid receptor, which complexes, enteres the cell nucleus and modifies genetic transcription (transrepression/transactivation). D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AD - Corticosteroids, very potent (group iv) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Dulxanthone B
Dulxanthone B is found in fruits. Dulxanthone B is a constituent of the stem bark of Garcinia dulcis (mundu). Constituent of the stem bark of Garcinia dulcis (mundu). Dulxanthone B is found in fruits.
Butyl 3-O-caffeoylquinate
Butyl 3-O-caffeoylquinate is found in fruits. Butyl 3-O-caffeoylquinate is a constituent of Spondias mombin (yellow mombin) Constituent of Spondias mombin (yellow mombin). Butyl 3-O-caffeoylquinate is found in fruits.
Eremopetasitenin C3
Eremopetasitenin D3 is found in green vegetables. Eremopetasitenin D3 is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasitenin C3 is found in green vegetables.
Clocortolone
Clocortolone is only found in individuals that have used or taken this drug. It is a medium potency corticosteroid that is often used as a topical cream for the relief of inflammatory oand pruritic (itching) arising from steroid-responsive dermatoses of the scalp.The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. These enzyme transcriptional changes are mediated by the drug binding first to the glucocorticoid receptor. This complex can migrate to the cell nucleus which then binds to DNA initiating genetic activation and repression of various genes. D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Tipredane
Tipredane belongs to the family of Sesterterpenes. These are terpenes compsed of five consecutive isoprene units.
Buparlisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Bruceine D
Deoxycorticosterone sulfate
Eurycomanol
Lemborexant
1,3,6-Trihydroxy-7-methoxy-2,5-bis(3-methyl-2-butenyl)xanthone
Pasakbumin C
13,21-Dihydroeurycomanone, a natural compound isolated from Eurycoma longifolia root, possesses anti-parasite activity for Plasmodium falciparum and Toxoplasma gondii[1][2].
Cochinchinone C
A polycyclic cage that is a prenylated-caged xanthone isolated from Cratoxylum cochinchinense and has been shown to exhibit antimalarial and antioxidant activities.
8beta-Propionyloxy-10beta-hydroxyhirsutinolide-13-O-acetate
Rubraxanthone
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 6 and 8, a geranyl group at position 1 and a methoxy group at position 2. Isolated from Mesua and Garcinia dioica, it exhibits antibacterial and cytotoxic activities.
paxanthonin
A member of the class of xanthones that is 9H-xanthen-9-one substituted by a 2,2-dimethyl-4-(prop-1-en-2-yl)cyclopentyl group at position 2, hydroxy groups at positions 1, 3 and 6 and a methoxy group at position 5. It is isolated from the callus of Hypericum perforatum and exhibits antioxidant and antimicrobial activities.
Pirlimycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides C784 - Protein Synthesis Inhibitor > C82922 - Lincosamide Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Cratoxyarborenone E
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7, isoprenyl groups at positions 4 and 5 and a methoxy group at position 6. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line.
13-Hydroxy-5-methoxy-3,3,10,10-tetramethyl-2,3,11,12-tetrahydro-1H,10H-dipyrano[3,2-a;2,3-i]xanthen-14-on|13-hydroxy-5-methoxy-3,3,10,10-tetramethyl-2,3,11,12-tetrahydro-1H,10H-dipyrano[3,2-a;2,3-i]xanthen-14-one|BR-xanthone A monomethyl ether|Tovophyllin A
8-C-glucosyl-7-O-methyl-(S)-aloesol|8-C-glycosyl-7-O-methyl-(R)-aloesol
1,3,6-trihydroxy-7-methoxy-2-(3,7-dimethyl-2,6-octadienyl)xanthone
(-)-2beta-(2xi,3-epoxy-3-methyl-1-oxobutyl)-2-deoxybruceol
(1R*,4R*,8S*,10R*)-1,4-epoxy-1-methoxy-8-hydroxy-10,13-diacetoxygermacra-5E,7(11)-dien-6,12-olide
2-Methylbutanoic acid 3-[1-(1,3-benzodioxole-5-yl)-1,2-epoxy-6-methoxy-1,2-dihydrobenzocyclobutene-4-yl]propyl ester
8-Propanoyl,13-Ac-1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide
1,5-dihydroxy-8-methoxy-7-(3,3-dimethyl-20-propenyl)-4,4,5-trimethylfurano-[2,3:4,3]-xanthone|inophinnin
3-methoxycheffouxanthone|4-(3,7-dimethyl-2,6-octadienyl)-1,5,8-trihydroxy-3-methoxyxanthone
3-hydroxy-6-methoxy-5-isopropyl-4,5-dihydrofuro[2,3:7,8]-6,6-dimethyl-4,5-dihydropyrano[2,3:1,2]xanthone
1,6-dihydroxy-7-methoxy-8-(3-methylbut-3-enyl)-6,6-dimethyl-4,5-dihydropyrano[23:3,2]xanthone
1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(1,2,3-trihydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol
1,7-dihydroxy-8-methoxy-6-(3-methyl-2-butenyl)-4,4-dimethylfurano-[2,3:3,4]-xanthone|mesuaferrin C
butyl 4-O-caffeoylquinate|butyl chryptochlorogenate|n-butyl 4-trans-O-caffeoylquinate
2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4-methyl-5-(4-methyl-5-oxo-2,5-dihydro-2-furyl)-3(E)-pentenyl]furo[3,2-c]coumarin|fukanefuromarin J
1-O-hexanoyl-6-O-beta-D-xylopyranosyl-beta-D-glucopyranose|nonioside S
(6aS*,9R*,9aS*)-6a-methyl-9-(2-methylbutyryl)-3-[(1S*,6S*)-6-methyl-2-oxocyclohex-3-enyl]-9,9a-dihydro-6aH-furo[2,3-h]isochromene-6,8-dione|multiformin A
8alpha-(4-hydroxymethacryloyloxy)-10alpha-hydroxy-13-methoxy-hirsutinolide
10-cinnamoyloxy-6-methoxy-8,9-epoxythymol isobutyrate
beta-Hydroxy-beta-methylglutarylhydroxy-abscisicsaeure; HMG-HO ABA
6-O-(2-methylbutyryl-beta-D-glucopyranoside)-1-O-E-p-coumarate
3,3,12,12-Tetramethyl-5-hydroxy-9-methoxy-1,2,3,10,11,12,14-heptahydro-4,7,13-trioxadibenzo[a,j]anthracene-14-one
1,3,5-trihydroxy-6-methoxy-2-(1,1-dimethyl-2-propenyl)-7-(3-methyl-2-butenyl)-9H-xanthen-9-one|Cudrafrutixanthone|cudrafrutixanthone A
3-((3R)-butoxy-(2R)-caffeoyl-(1R)-hydroxycyclobutyl)-(3R)-hydroxypropanoic acid|dorycnic acid
1,3,6-Trihydroxy-2,7-bis(3-methyl-2-butenyl)-5-methoxyxanthone
1,4,6-trihydroxy-3-methoxy-2-(3-methyl-2-butenyl)-5-(1,1-dimethyl-prop-2-enyl)xanthone
1-O-(3-methylbut-3-en-1-yl)-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|3-methyl-3-butenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|3-methylbut-3-enyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|3-methylbut-3-enyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|3-methylbut-3-enyl6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|nonioside A
Yadanziolide C
Yadanziolide C is a natural product found in Brucea javanica and Brucea mollis with data available.
13,21-Dihydroeurycomanone
13,21-Dihydroeurycomanone is a natural product found in Eurycoma longifolia with data available. 13,21-Dihydroeurycomanone, a natural compound isolated from Eurycoma longifolia root, possesses anti-parasite activity for Plasmodium falciparum and Toxoplasma gondii[1][2].
Mangostin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.514 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.515 alpha-Mangostin (α-Mangostin) is a dietary xanthone with broad biological activities, such as antioxidant, anti-allergic, antiviral, antibacterial, anti-inflammatory and anticancer effects. It is an inhibitor of mutant IDH1 (IDH1-R132H) with a Ki of 2.85 μM. alpha-Mangostin (α-Mangostin) is a dietary xanthone with broad biological activities, such as antioxidant, anti-allergic, antiviral, antibacterial, anti-inflammatory and anticancer effects. It is an inhibitor of mutant IDH1 (IDH1-R132H) with a Ki of 2.85 μM.
Pergolide mesylate
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Pergolide mesylate (Pergolide methanesulfonate), an Ergoline derivative, is a potent and orally active dopamine D1 and D2 receptors agonist. Pergolide mesylate can be used for Parkinson's disease and hyperprolactinaemia research[1][2].
1,3,7-trihydroxy-6-methoxy-4,5-bis(3-methylbut-2-enyl)xanthen-9-one
Clobetasol
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AD - Corticosteroids, very potent (group iv) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 2399
Ala Ala Cys Phe
Ala Ala Phe Cys
Ala Ala Ser Tyr
Ala Ala Tyr Ser
Ala Cys Ala Phe
Ala Cys Phe Ala
Ala Phe Ala Cys
Ala Phe Cys Ala
Ala Phe Ser Ser
Ala Gly Thr Tyr
Ala Gly Tyr Thr
Ala Ser Ala Tyr
Ala Ser Phe Ser
Ala Ser Ser Phe
Ala Ser Tyr Ala
Ala Thr Gly Tyr
Ala Thr Tyr Gly
Ala Tyr Ala Ser
Ala Tyr Gly Thr
Ala Tyr Ser Ala
Ala Tyr Thr Gly
Cys Ala Ala Phe
Cys Ala Phe Ala
Cys Phe Ala Ala
Cys Ser Thr Thr
Cys Thr Ser Thr
Cys Thr Thr Ser
Phe Ala Ala Cys
Phe Ala Cys Ala
Phe Ala Ser Ser
Phe Cys Ala Ala
Phe Gly Gly Met
Phe Gly Met Gly
Phe Gly Ser Thr
Phe Gly Thr Ser
Phe Met Gly Gly
Phe Ser Ala Ser
Phe Ser Gly Thr
Phe Ser Ser Ala
Phe Ser Thr Gly
Phe Thr Gly Ser
Phe Thr Ser Gly
Gly Ala Thr Tyr
Gly Ala Tyr Thr
Gly Phe Gly Met
Gly Phe Met Gly
Gly Phe Ser Thr
Gly Phe Thr Ser
Gly Gly Phe Met
Gly Gly Met Phe
Gly Met Phe Gly
Gly Met Gly Phe
Gly Ser Phe Thr
Gly Ser Thr Phe
Gly Thr Ala Tyr
Gly Thr Phe Ser
Gly Thr Ser Phe
Gly Thr Tyr Ala
Gly Tyr Ala Thr
Gly Tyr Thr Ala
Met Phe Gly Gly
Met Gly Phe Gly
Met Gly Gly Phe
Met Ser Ser Ser
Ser Ala Ala Tyr
Ser Ala Phe Ser
Ser Ala Ser Phe
Ser Ala Tyr Ala
Ser Cys Thr Thr
Ser Phe Ala Ser
Ser Phe Gly Thr
Ser Phe Ser Ala
Ser Phe Thr Gly
Ser Gly Phe Thr
Ser Gly Thr Phe
Ser Met Ser Ser
Ser Ser Ala Phe
Ser Ser Phe Ala
Ser Ser Met Ser
Ser Ser Ser Met
Ser Thr Cys Thr
Ser Thr Phe Gly
Ser Thr Gly Phe
Ser Thr Thr Cys
Ser Tyr Ala Ala
Thr Ala Gly Tyr
Thr Ala Tyr Gly
Thr Cys Ser Thr
Thr Cys Thr Ser
Thr Phe Gly Ser
Thr Phe Ser Gly
Thr Gly Ala Tyr
Thr Gly Phe Ser
Thr Gly Ser Phe
Thr Gly Tyr Ala
2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]- glucuronide
Thr Ser Cys Thr
Thr Ser Phe Gly
Thr Ser Gly Phe
Thr Ser Thr Cys
Thr Thr Cys Ser
Thr Thr Ser Cys
Thr Tyr Ala Gly
Thr Tyr Gly Ala
Tyr Ala Ala Ser
Tyr Ala Gly Thr
Tyr Ala Ser Ala
Tyr Ala Thr Gly
Tyr Gly Ala Thr
Tyr Gly Thr Ala
Tyr Ser Ala Ala
Tyr Thr Ala Gly
Tyr Thr Gly Ala
Eremopetasitenin C3
Butyl 3-O-caffeoylquinate
3-Isomangostin
3-Isomangostin, extracted from Garciniamangostana.L. shell, is a potent MutT homologue 1 (MTH1) inhibitor with an IC50 value of 52?nM. 3-Isomangostin would be an attractive chemical tool for the development of anticancer agents[1]. 3-Isomangostin, extracted from Garciniamangostana.L. shell, is a potent MutT homologue 1 (MTH1) inhibitor with an IC50 value of 52?nM. 3-Isomangostin would be an attractive chemical tool for the development of anticancer agents[1].
Tipredane
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
butane-1,4-diol,1,3-diisocyanato-2-methylbenzene,hexanedioic acid
Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,7-[(dimethylamino)methylene]-6,7-dihydro-6-hydroxy-1,3-dimethyl-9-(phenylmethyl)- (9CI)
Darusentan
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist Darusentan (Lu-135252) is a selective endothelin receptor A (ET-A) receptor antagonist, which binds with a Ki of 1.4 nM to the ET-A receptor and a Ki of 184 nM to ET-B receptor, respectively with a 100-fold selectivity for ETA rather than ETB receptors[1]. Darusentan competes for radiolabeled endothelin binding in rat aortic vascular smooth muscle cells (RAVSMs) membranes with single-site kinetics, exhibiting a Ki of 13 nM[2].
1-N,4-N-bis(4-methoxyphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
1H-Indazole-1-propanamide,N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-thienylmethyl)-(9CI)
2-[2-[4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethanol hydrochloride
1-N,4-N-bis(2-methoxyphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
1-N,4-N-bis(3-methoxyphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
lemborexant
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist D018377 - Neurotransmitter Agents > D000068796 - Orexin Receptor Antagonists N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives
2-(((3aR,4S,6R,6aS)-6-(7-aMino-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-2,2-diMethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol
2-Propenoic acid, 2-Methyl-, [1,1-biphenyl]-4,4-diylbis(oxy-2,1-ethanediyl) ester (9CI)
4-butyl-1,2-diphenylpyrazolidine-3,5-dione, compound with 4,5-dihydrothiazol-2-amine (1:1)
2,8-Diazaspiro[4.5]decane, 2-(1-methylethyl)-, 2,2,2-trifluoroacetate (1:2)
{(2s)-1-[n-(Tert-Butoxycarbonyl)glycyl]pyrrolidin-2-Yl}methyl (3-Chlorophenyl)acetate
Carmoxirole hydrochloride
Carmoxirole hydrochloride (EMD 45609 hydrochloride) is a selective, peripherally acting dopamine D2 receptor agonist and exhibits antihypertensive activities in vivo[1].
3-(4-fluorophenyl)-4,4,6,8-tetramethyl-5,6-dihydro-4H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2-[1,3]thiazolidine]-2,4-dione
Buparlisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
clocortolone
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4beta-propyl-2alpha-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-alpha-D-galacto-octopyranoside
1,3,6-Trihydroxy-7-methoxy-2,5-bis(3-methyl-2-butenyl)xanthone
(1S,2S,3S,4S,5R,6S,8R,9R,12S)-5,6,12-trihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
[2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl-[(4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]azanium
(2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
Egonol-2-methyl butanoate
A fatty acid ester obtained by the formal condensation of (S)-2-methylbutyric acid with egonol. It has been isolated from the fruits of Styrax agrestis.
(+)-(3R,5S)-fluvastatin
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors
methyl (1R,9S,11S,14E,15S,17S,19R)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
N-[4-(4-morpholinyl)phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide
[2-[3-phenyl-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydropyrazol-5-yl]phenyl] acetate
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyridinylthio)acetamide
N-(2,4-dimethoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide
Isobrucine N-oxide
A monoterpenoid indole alkaloid with formula C23H26N2O5, originally isolated from the seeds of Strychnos nux-vomica.
3-(3-ethoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea
N-benzyl-N-[(2-indol-2-ylidene-3H-1,3,4-thiadiazol-5-yl)methyl]-1-phenylmethanamine
3,4-dihydro-1H-isoquinolin-2-yl-[4-[hydroxy(diphenyl)methyl]-1-triazolyl]methanone
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
(4S,7R)-4-[(3-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
7-[(4-Chlorophenyl)methyl]-4-phenyl-9-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-5-one
4-[(3aR,4S,9bR)-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
(6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
(4R,7S)-4-[(4-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
7-[(3-Chlorophenyl)methyl]-4-phenyl-9-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-5-one
1-[2-(Dimethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
19-O-acetylhoerhammericine
An Aspidosperma alkaloid that is hoerhammericine in which the hydroxy group at position 19 has been converted to the corresponding acetate ester. Note the stereoconfiguration of the epoxy group is based on CHEBI:144374, and that of the 19-acetoxy group on the hydroxy group of CHEBI:144372.
3,5-dicyano-4-(dibutylamino)-N-phenylbenzenesulfonamide
N-[3-(2,3-Dimethyl-1H-indol-1-yl)-2-methylpropyl]-3,5-dinitrobenzamide
(2R,5R)-2-(hydroxymethyl)-5-[6-[(1-methoxyindol-3-yl)methylamino]purin-9-yl]oxolan-3-ol
1-Isomangostin
An organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-one substituted by hydroxy groups at positions 5 and 9, a methoxy group at position 10, two methyl groups at position 2, a prenyl group at position 11 and an oxo group at position 12.
SN-38 carboxylic acid
A 2-hydroxy monocarboxylic acid resulting from the hydrolysis of the delta-lactone ring of SN-38. It is a metabolite of SN-38.
MMV009085
MMV009085 is a potent PfHT1 (Plasmodium?falciparum?hexose transporter)-specific inhibitor and a potential anti-malarial agent . MMV009085 is also a human glucose transporter inhibitor, it has high potency in inhibiting both glucose uptake (IC50: 2.6 μM in glucose uptake assay) and growth of the parasites (EC50: 1.23±0.04 μM against 3D7)[1].
4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
(4s,4as,5r,6s,8ar,9ar)-4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl (2z)-3-(methylsulfanyl)prop-2-enoate
(1'r,2s,4r,4's,5's,8'r,9's,10's,12'r,14's)-4-hydroxy-4-[(1s)-1-hydroxyethyl]-9'-methoxy-3',3',10'-trimethyl-2',7',13'-trioxaspiro[oxolane-2,11'-pentacyclo[8.4.0.0¹,⁵.0⁴,⁸.0¹²,¹⁴]tetradecane]-5,6'-dione
5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-7-(3-methylbut-2-en-1-yl)-2h-furo[2,3-c]xanthen-6-one
8-hydroxy-13-methoxy-17,17-dimethyl-15-(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraene-10,14-dione
16-(3,3-dimethyloxirane-2-carbonyl)-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
(1s,2r,6r,7r,9r,10s,11s,12r,14s)-9,11-dihydroxy-9-(hydroxymethyl)-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-4-hydroxy-2-methylbut-2-enoate
butyl (1r,3r,4s,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
methyl (1r,9r,10r,12r)-4-methoxy-15,20-dioxo-19-oxa-8,16-diazahexacyclo[8.8.2.2⁹,¹².0¹,⁹.0²,⁷.0¹²,¹⁶]docosa-2,4,6,13-tetraene-8-carboxylate
methyl (1s,12r,19r,21r,24r)-21-hydroxy-20-oxo-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
(2r,3r,4s,5r,6r)-2-{[(1z)-3-(3,4-dihydroxyphenyl)prop-1-en-1-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2z)-2-methylbut-2-enoate
methyl (1r,4s,12r,13r,21s)-7,8-dimethoxy-20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6,8,10,17-tetraene-4-carboxylate
1,3,6-trihydroxy-5-methoxy-2,7-bis(3-methylbut-2-en-1-yl)xanthen-9-one
methyl (14e)-19-[(acetyloxy)methyl]-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
3-[(7s,9r)-7-(2h-1,3-benzodioxol-5-yl)-5-methoxy-8-oxatricyclo[4.3.0.0⁷,⁹]nona-1,3,5-trien-3-yl]propyl (2r)-2-methylbutanoate
(1r,2r,3r,6r,8s,12r,13s,14r,15r,16s,17r)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-4,11-dione
(1s,6r,8r,11r,12r,13s,23r)-18-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15,17,19-triene-21,24-dione
methyl (2z)-7-(6,7-dimethoxyquinolin-4-yl)-2-ethylidene-6-oxa-4-azatricyclo[5.2.1.0⁴,⁸]decane-10-carboxylate
(2s)-5,9-dihydroxy-10-methoxy-1,1,2-trimethyl-7-(3-methylbut-2-en-1-yl)-2h-furo[2,3-c]xanthen-6-one
(1s,4s,5s,6r,7s,8s,11s,13r,17r,18r,19s)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
methyl 2-{13-formyl-8,16-dimethyl-12-oxo-11-oxa-8,16-diazapentacyclo[7.4.3.2¹⁰,¹³.0¹,⁹.0²,⁷]octadeca-2,4,6-trien-17-yl}but-2-enoate
(2s,4r)-n-{2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-4-propylpyrrolidine-2-carboximidic acid
2,19-dimethyl (1s,9r,16s,19r,20r)-21-oxo-2,12-diazahexacyclo[10.6.2.1⁹,¹⁶.0¹,⁹.0³,⁸.0¹⁶,²⁰]henicosa-3,5,7-triene-2,19-dicarboxylate
2-(2,7-dimethylocta-1,6-dien-1-yl)-1,3,6-trihydroxy-7-methoxyxanthen-9-one
2,18-dimethyl (1r,9s,16s)-21-oxo-2,12-diazapentacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate
16-hydroxy-10-methoxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3,9,11,14,16-hexaen-2-one
6a-methyl-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9-(2-methylbutanoyl)-9h,9ah-furo[2,3-h]isochromene-6,8-dione
2-(3,7-dimethylocta-2,6-dien-1-yl)-1,3,6-trihydroxy-7-methoxyxanthen-9-one
3-[3,4-dimethoxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dimethoxychromen-4-one
2-{[3-(3,4-dihydroxyphenyl)prop-1-en-1-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 2-methylbut-2-enoate
(6as,9r,9as)-6a-methyl-3-[(1s,6s)-6-methyl-2-oxocyclohex-3-en-1-yl]-9-[(2r)-2-methylbutanoyl]-9h,9ah-furo[2,3-h]isochromene-6,8-dione
4,5,6,17-tetrahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
1,5,6-trihydroxy-3-methoxy-4,7-bis(3-methylbut-2-en-1-yl)xanthen-9-one
4-[3''-(1c-methylbutanoyloxy)propyl]-2-meth-oxy-(3',4'-methylenedioxyphenyl)-1a,5b-di-hydrobenzo-[3,4]-cyclobutaoxirene
{"Ingredient_id": "HBIN009896","Ingredient_name": "4-[3''-(1c-methylbutanoyloxy)propyl]-2-meth-oxy-(3',4'-methylenedioxyphenyl)-1a,5b-di-hydrobenzo-[3,4]-cyclobutaoxirene","Alias": "NA","Ingredient_formula": "C24H26O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14165","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-glucopyranosyl-7-o-methyl-(s)-aloesol
{"Ingredient_id": "HBIN013745","Ingredient_name": "8-glucopyranosyl-7-o-methyl-(s)-aloesol","Alias": "NA","Ingredient_formula": "C20H26O9","Ingredient_Smile": "NA","Ingredient_weight": "410.42","OB_score": "NA","CAS_id": "135048-11-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7360","PubChem_id": "NA","DrugBank_id": "NA"}
