Exact Mass: 410.237454
Exact Mass Matches: 410.237454
Found 500 metabolites which its exact mass value is equals to given mass value 410.237454,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Forskolin
Forskolin is a labdane diterpenoid isolated from the Indian Coleus plant. It has a role as a plant metabolite, an anti-HIV agent, a protein kinase A agonist, an adenylate cyclase agonist, an antihypertensive agent and a platelet aggregation inhibitor. It is a labdane diterpenoid, an acetate ester, an organic heterotricyclic compound, a triol, a cyclic ketone and a tertiary alpha-hydroxy ketone. Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant Coleus forskohlii. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. Forskolin is a natural product found in Plectranthus, Plectranthus barbatus, and Apis cerana with data available. Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant Coleus forskohlii. Has antihypertensive, positive ionotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant Coleus forskohlii. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents A labdane diterpenoid isolated from the Indian Coleus plant. D020011 - Protective Agents > D002316 - Cardiotonic Agents C78274 - Agent Affecting Cardiovascular System D007155 - Immunologic Factors CONFIDENCE standard compound; INTERNAL_ID 408; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4753; ORIGINAL_PRECURSOR_SCAN_NO 4752 CONFIDENCE standard compound; INTERNAL_ID 408; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4747; ORIGINAL_PRECURSOR_SCAN_NO 4745 CONFIDENCE standard compound; INTERNAL_ID 408; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4785; ORIGINAL_PRECURSOR_SCAN_NO 4783 CONFIDENCE standard compound; INTERNAL_ID 408; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4767; ORIGINAL_PRECURSOR_SCAN_NO 4766 CONFIDENCE standard compound; INTERNAL_ID 408; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4849; ORIGINAL_PRECURSOR_SCAN_NO 4847 CONFIDENCE standard compound; INTERNAL_ID 408; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4753; ORIGINAL_PRECURSOR_SCAN_NO 4748 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.202 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.164 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.188 [Raw Data] CB247_Forskolin_neg_30eV_000046.txt [Raw Data] CB247_Forskolin_neg_40eV_000046.txt [Raw Data] CB247_Forskolin_neg_10eV_000046.txt [Raw Data] CB247_Forskolin_neg_20eV_000046.txt Forskolin (Coleonol) is a potent adenylate cyclase activator with an IC50 of 41 nM and an EC50 of 0.5 μM for type I adenylyl cyclase[1]. Forskolin is also an inducer of intracellular cAMP formation[2]. Forskolin induces differentiation of various cell types and activates pregnane X receptor (PXR) and FXR[3]. Forskolin exerts a inotropic effect on the heart, and has platelet antiaggregatory and antihypertensive actions. Forskolin also induces autophagy[4][5].
LysoPA(16:0/0:0)
LysoPA(16:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes. In particular, lysophosphatidic acid is an intercellular lipid mediator with growth factor-like activities, and is rapidly produced and released from activated platelets to influence target cells. 1-Palmitoyl lysophosphatidic acid is the major component of lysophosphatidic acid (LPA) in plasma, and is in a reduced ratio in individuals with gynecological cancers (PMID 11585410). LPA is a pluripotent lipid mediator controlling growth, motility, and differentiation, that has a strong influence on the chemotaxis and ultrastructure of human neutrophils (PMID 7416233). In serum and plasma, LPA is mainly converted from lysophospholipids, whereas in platelets and some cancer cells it is converted from phosphatidic acid. In each pathway, at least two phospholipase activities are required: phospholipase A1 (PLA1)/PLA2 plus lysophospholipase D (lysoPLD) activities are involved in the first pathway and phospholipase D (PLD) plus PLA1/PLA2 activities are involved in the second pathway. (PMID 15271293). Lysopa(16:0/0:0), also known as 1-palmitoyl lysophosphatidic acid or 1-hexadecanoyl-sn-glycero-3-phosphate, is a member of the class of compounds known as 1-acylglycerol-3-phosphates. 1-acylglycerol-3-phosphates are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. Thus, lysopa(16:0/0:0) is considered to be a glycerophosphate lipid molecule. Lysopa(16:0/0:0) is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Lysopa(16:0/0:0) can be found in a number of food items such as alfalfa, soy bean, banana, and barley, which makes lysopa(16:0/0:0) a potential biomarker for the consumption of these food products. Lysopa(16:0/0:0) can be found primarily throughout all human tissues. Lysopa(16:0/0:0) exists in all living species, ranging from bacteria to humans. In humans, lysopa(16:0/0:0) is involved in several metabolic pathways, some of which include cardiolipin biosynthesis CL(16:0/18:1(11Z)/18:0/18:1(9Z)), cardiolipin biosynthesis CL(16:0/16:1(9Z)/16:1(9Z)/16:0), cardiolipin biosynthesis CL(16:0/20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z)), and cardiolipin biosynthesis CL(16:0/18:1(11Z)/18:0/18:1(11Z)). Lysopa(16:0/0:0) is also involved in several metabolic disorders, some of which include de novo triacylglycerol biosynthesis TG(16:0/24:0/20:4(8Z,11Z,14Z,17Z)), de novo triacylglycerol biosynthesis TG(16:0/22:2(13Z,16Z)/22:0), de novo triacylglycerol biosynthesis TG(16:0/15:0/18:3(9Z,12Z,15Z)), and de novo triacylglycerol biosynthesis TG(16:0/15:0/24:0).
risperidone
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics CONFIDENCE standard compound; INTERNAL_ID 1505 CONFIDENCE standard compound; INTERNAL_ID 8513 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3353 Risperidone is a serotonin 5-HT2 receptor blocker, P-Glycoprotein inhibitor and potent dopamine D2 receptor antagonist, with Kis of 4.8, 5.9 nM for 5-HT2A and dopamine D2 receptor, respectively.
Risperidone
Risperidone is an atypical antipsychotic medication approved in 1993. It is most often used to treat delusional psychosis (including schizophrenia), but risperidone (like other atypical antipsychotics) is also used to treat some forms of bipolar disorder, psychotic depression and Tourette syndrome. Generally lower doses are used for autistic spectrum disorders than are used for schizophrenia and other forms of psychosis; Risperidone is a very strong dopamine blocker (antagonist); Risperidone is a very strong dopamine blocker (antagonist); i.e., it inhibits functioning of postsynaptic dopamine receptors. An anxiolytic agent and a serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the benzodiazepines, but it has an efficacy comparable to diazepam; i.e., it inhibits functioning of postsynaptic dopamine receptors. Risperidone (Belivon, Rispen, Risperdal; in the United States) is an atypical antipsychotic medication. It was approved by the United States Food and Drug Administration (FDA) in 1993. It is most often used to treat delusional psychosis (including schizophrenia), but risperidone (like other atypical antipsychotics) is also used to treat some forms of bipolar disorder, psychotic depression and Tourette syndrome; risperidone has received approval from the Food and Drug Administration (FDA) for symptomatic treatment of irritability in autistic children and adolescents. Risperidone is now the most commonly prescribed antipsychotic medication in the United States. Risperidone is an atypical antipsychotic medication approved in 1993. It is most often used to treat delusional psychosis (including schizophrenia), but risperidone (like other atypical antipsychotics) is also used to treat some forms of bipolar disorder, psychotic depression and Tourette syndrome. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Risperidone is a serotonin 5-HT2 receptor blocker, P-Glycoprotein inhibitor and potent dopamine D2 receptor antagonist, with Kis of 4.8, 5.9 nM for 5-HT2A and dopamine D2 receptor, respectively.
Heliocide H4
Heliocide H4 is found in cottonseed. Heliocide H4 is a constituent of Gossypium hirsutum (cotton). Constituent of Gossypium hirsutum (cotton). Heliocide H4 is found in cottonseed.
Heliocide H3
Heliocide H3 is found in fats and oils. Heliocide H3 is a constituent of Gossypium hirsutum (cotton)
Heliocide H2
Heliocide H2 is found in fats and oils. Heliocide H2 is a constituent of Gossypium hirsutum (cotton). Constituent of Gossypium hirsutum (cotton). Heliocide H2 is found in fats and oils.
Heliocide H1
Constituent of Gossypium hirsutum (cotton). Heliocide H1 is found in cottonseed and fats and oils. Heliocide H1 is found in cottonseed. Heliocide H1 is a constituent of Gossypium hirsutum (cotton).
(R)-Kanzonol Y
(R)-Kanzonol Y is found in herbs and spices. (R)-Kanzonol Y is a constituent of Glycyrrhiza glabra (licorice)
2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone
2-Geranyl-2,3,4,4-tetrahydroxydihydrochalcone is found in fruits. 2-Geranyl-2,3,4,4-tetrahydroxydihydrochalcone is a constituent of Artocarpus communis (breadfruit) Constituent of Artocarpus communis (breadfruit). 2-Geranyl-2,3,4,4-tetrahydroxydihydrochalcone is found in fruits.
1-[3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
LysoPA(0:0/16:0)
LysoPA(0:0/16:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes. In particular, lysophosphatidic acid is an intercellular lipid mediator with growth factor-like activities, and is rapidly produced and released from activated platelets to influence target cells. 1-Palmitoyl lysophosphatidic acid is the major component of lysophosphatidic acid (LPA) in plasma, and is in a reduced ratio in individuals with gynecological cancers (PMID 11585410). LPA is a pluripotent lipid mediator controlling growth, motility, and differentiation, that has a strong influence on the chemotaxis and ultrastructure of human neutrophils (PMID 7416233). In serum and plasma, LPA is mainly converted from lysophospholipids, whereas in platelets and some cancer cells it is converted from phosphatidic acid. In each pathway, at least two phospholipase activities are required: phospholipase A1 (PLA1)/PLA2 plus lysophospholipase D (lysoPLD) activities are involved in the first pathway and phospholipase D (PLD) plus PLA1/PLA2 activities are involved in the second pathway. (PMID 15271293).
2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
2-[(4-Hydroxycyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
C23H30N4O3 (410.23177899999996)
AT-533 is a potent Hsp90 and HSV inhibitor. AT-533 suppresses tumor growth and angiogenesis by blocking the HIF-1α/VEGF/VEGFR-2 signaling pathway. AT-533 also inhibits the activation of the downstream pathways, including Akt/mTOR/p70S6K, Erk1/2 and FAK. AT-533 inhibits the tube formation, cell migration, and invasion of human umbilical vein endothelial cells (HUVECs)[1][2][3].
Famitinib
Forskolin
Vesatolimod
C22H30N6O2 (410.24301199999996)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant C254 - Anti-Infective Agent > C281 - Antiviral Agent
Isoforskolin
Rhinacanthin C
X2F6R0716P
Rhodojaponin II is a diterpenoid from the leaves of Rhododendron molle with anti-inflammatory activity[1]. Rhodojaponin II is a diterpenoid from the leaves of Rhododendron molle with anti-inflammatory activity[1].
Rhodojaponin V
5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate is a natural product found in Rhododendron japonicum with data available.
Coleonol B
Isoforskolin is a natural product found in Excoecaria cochinchinensis with data available.
6-(4,5-dihydroxy-2-hexenoyloxy)-5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2,5]octane
carisson-(alpha-xylopyranoside-2-O-acetate)|carisson-
17-acetoxy-1-methyl-19,20-dihydro-sarpagane-16-carboxylic acid methyl ester|17-O-Acetyl-19,20-dihydrovachalotine
1beta,1beta:21,23-diepoxy-7alpha-hydroxy-24,25,26,27-tetranor-apotirucalla-14,20,22-trien-3-one
cis-4-((E)-3,4-dimethoxystyryl)-3-(2,4,5-trimethoxyphenyl)cyclohex-1-ene|cis-4-<(E)-3,4-dimethoxystyryl>-3-(2,4,5-trimethoxyphenyl)cyclohex-1-ene
2,3-dihydro-7-methoxy-2R*,3R*-dimethyl-2[4,8-dimethyl-3(E),7-nonadienyl-6-one]-furo[2,3-b]chromone|kopetdaghin E
6alpha-({4-acetoxy}-7Z-coumaryloxy)eudesm-4(14)-ene
15-epi-leosibirone B|3alpha-acetoxy-7beta,15beta-dihydroxy-9alpha,13alpha;15,16-diepoxylabd-6-one
2,3-dihydro-7-methoxy-2S*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin
3-O-(3-acetoxy-2-hydroxy-2-methylbutyryl)cuauthemone
rhodomollein G,2a,3b,14b,16a-tetrahydroxyl-6b-acetoxy-5,9-epoxy grayanotoxane
6beta-acetoxy-9,13-epoxy-1alpha,7beta,8alpha-trihydroxy-labd-14-ene-11-one|spirocoleonol B
(16S*)-(9alpha-16alpha),(15-16alpha)-diepoxy-13beta,14beta-dihydroxy-15alpha-ethoxylabdan-6beta(19)-olide|marrulibacetal
1-(2,4,6-trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one
9-oxo-3-O-(2-O-acetyl-beta-D-xylopyranosyl)-nerolidol
1-alpha-acetoxy-7beta,12beta,15alpha-trihydroxy-16alpha-hydroxymethyl-7,20-epoxy-ent-kaurane|taibaijaponicain C
bipinnatone B
A member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2, C-4, C-6 and C-4 and substituted by a geranyl group at C-3. It is isolated from the aerial parts of Boronia bipinnata and exhibits antimalarial activity.
cis-3-(3,4-dimethoxyphenyl)-4-((E)-2,4,5-trimethoxystyryl)cyclohex-1-ene|cis-3-(3,4-dimethoxyphenyl)-4-<(E)-2,4,5-trimethoxystyryl>cyclohex-1-ene|cis-3-(3,4-dimethoxyphenyl)-4-<(E)-2,4,5-trimethoxystyryl>cyclohex-1-
2beta,3beta,5beta,6beta,16alpha-pentahydroxy-14-acetylgrayan-10(20)-ene|rhodomolin B
tilorone
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D007155 - Immunologic Factors > D007369 - Interferon Inducers D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Tilorone is an orally active antiviral agent and interferon inducer that also has potential antineoplastic, immunomodulatory, and metabolic modulating effects. Tilorone induces an abnormally delayed interferon response and primarily stimulates interferon production in lymphoid tissue. Thus, Tilorone exerts antiviral effects and can be used as a chemotherapeutic agent. Tilorone has the potential to inhibit type 2 diabetes by increasing glucose uptake in vivo and in skeletal muscle cells by enhancing Akt2/AS160 signaling and glucose transporter levels[1][2][3][4][5].
2-(2-acetyloxy-12-hydroxytridecyl)-4,6-dihydroxybenzoic acid
Ala Ala His Ile
Ala Ala His Leu
Ala Ala Ile His
Ala Ala Leu His
Ala His Ala Ile
Ala His Ala Leu
Ala His Ile Ala
Ala His Leu Ala
Ala Ile Ala His
Ala Ile His Ala
Ala Leu Ala His
Ala Leu His Ala
Gly His Val Val
Gly Val His Val
Gly Val Val His
His Ala Ala Ile
His Ala Ala Leu
His Ala Ile Ala
His Ala Leu Ala
His Gly Val Val
His Ile Ala Ala
His Leu Ala Ala
His Val Gly Val
His Val Val Gly
Ile Ala Ala His
Ile Ala His Ala
Ile His Ala Ala
Leu Ala Ala His
Leu Ala His Ala
Leu His Ala Ala
Pro Pro Pro Thr
Pro Pro Thr Pro
Pro Pro Val Val
Pro Thr Pro Pro
Pro Val Pro Val
Pro Val Val Pro
Thr Pro Pro Pro
Val Gly His Val
Val Gly Val His
Val His Gly Val
Val His Val Gly
Val Pro Pro Val
Val Pro Val Pro
Val Val Gly His
Val Val His Gly
Val Val Pro Pro
Kanzonol Y
heliocide H3
Heliocide H1
heliocide H4
heliocide H2
2-eicosa-5Z,8Z,11Z,14Z,17Z-pentaenoylphloroglucinol
trans,trans-3,4,5-trifluorophenyl 4-pentylbicyclohexyl-4-carboxylate
2-[2-(2,3-dihydro-5-methoxy-2,3,3-trimethyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride
2,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-XANTHENEDICARBOXYLIC ACID
1-(9H-carbazol-4-yloxy)-3-[[1,1,2,2-tetradeuterio-2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
Trimipramine maleate
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators Trimipramine maleate is a 5-HT receptor antagonist, with pKi binding values of 6.39, 8.10, 4.66 for 5-HT1C, 5-HT2 and 5-HT1A, respectively[1]. Trimipramine maleate is also a potent and selective inhibitor targeting human noradrenaline (hNAT), serotonin (hSERT) and organic cation transporters (hOCT1, hOCT2) with IC50 values of 4.99 μM, 2.11 μM, 3.72 μM, 8.00 μM, respectively[2]. Trimipramine maleate has vascular activity and anxiolytic efficacy[3].
1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-PYRROLIDINE
7BETA-ACETOXY-1ALPHA,6BETA-DIHYDROXY-8,13-EPOXY-LABD-14-EN-11-ONE
3-[2-[4-(6-Fluoro-2-benzoxazolyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-Methyl-4H-pyrido[1,2-a]pyriMidin-4-one (Risperidone IMpurity)
1-Ethoxy-2,3-difluoro-4-[[4-(trans-4-pentylcyclohexyl)phenyl]ethynyl]benzene
C27H32F2O (410.24210859999994)
trans-4-Pentylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl ester
Famitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
(2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid
2-(2-Acetoxy-12-hydroxytridecyl)-4,6-dihydroxybenz
GS-9620
C22H30N6O2 (410.24301199999996)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant C254 - Anti-Infective Agent > C281 - Antiviral Agent
[(2R)-2-(hexadecanoyloxy)-3-hydroxypropoxy]phosphonic acid
[3-carboxy-2-[(3E,5E,11E)-14-carboxytetradeca-3,5,11-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(9E,11E,13E)-14-carboxytetradeca-9,11,13-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(3E,6E,9E)-14-carboxytetradeca-3,6,9-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(7E,10E,13E)-14-carboxytetradeca-7,10,13-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(4E,6E,8E)-14-carboxytetradeca-4,6,8-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(5E,8E,11E)-14-carboxytetradeca-5,8,11-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(2E,6E,10E)-14-carboxytetradeca-2,6,10-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(5E,7E,9E)-14-carboxytetradeca-5,7,9-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
[3-carboxy-2-[(3E,5E,7E)-14-carboxytetradeca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
C22H36NO6+ (410.25424960000004)
7-Hexyl-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione
C22H30N6O2 (410.24301199999996)
N-arachidonoyltaurine(1-)
C22H36NO4S- (410.2364916000001)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-arachidonoyltaurine; major species at pH 7.3.
15-epi-Leosibirone B, (rel)-
A natural product found in Leonurus sibiricus.
1-[(1-Tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazine
1-[2-(1-Cyclohexenyl)ethyl]-5-[[4-(diethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
C23H30N4O3 (410.23177899999996)
N-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]cyclohexanecarboxamide
C24H31FN4O (410.24817679999995)
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamide
benzoic acid [3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
N-Benzyl-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide
C22H30N6O2 (410.24301199999996)
(E)-3-(((quinolin-8-ylmethylene)amino)oxy)butyl undec-10-enoate
5-[3-(dimethylammonio)-2-methylpropyl]-10,11-dihydro-5H-dibenzo[b,f]azepinium (2Z)-but-2-enedioate
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
(6S,7S,8R)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
(6R,7R,8R)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
[2-(Butanoylamino)-3-hydroxynonyl] 2-(trimethylazaniumyl)ethyl phosphate
C18H39N2O6P (410.25456040000006)
(2-Acetamido-3-hydroxyundecyl) 2-(trimethylazaniumyl)ethyl phosphate
C18H39N2O6P (410.25456040000006)
[3-Hydroxy-2-(propanoylamino)decyl] 2-(trimethylazaniumyl)ethyl phosphate
C18H39N2O6P (410.25456040000006)
[3-Hydroxy-2-(pentanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
C18H39N2O6P (410.25456040000006)
1-Palmitoylglycerol 3-phosphate
A monoacylglycerol phosphate having palmitoyl as the acyl group on O-1 and with the phosphate group on O-3.
Nigakihemiacetal A
A quassinoid that is picras-2-ene substituted by hydroxy groups at positions 11, 13 and 16, methoxy groups at positions 2 and 12 and an oxo group at position 1 (the 11alpha,12beta stereoisomer).
1-Palmitoyl-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate having palmitoyl as the acyl group.
lysophosphatidic acid 16:0
A lysophosphatidic acid in which the acyl group (position not specified) contains 16 carbons and no double bonds.
(13e)-2-oxatricyclo[20.2.2.1³,⁷]heptacosa-1(24),3,5,7(27),13,22,25-heptaene-5,24,25-triol
3-(3,4-dihydroxyphenyl)-1-[3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4-dihydroxyphenyl]propan-1-one
(1r,13r,14s,15r,18s,19s)-9,14,18-trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]icosa-2(11),5,7,9-tetraen-3-one
(1r,4as,8r,8as)-7,8-diformyl-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl (2e)-3-(4-methoxyphenyl)prop-2-enoate
14,16-dihydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-3-one
8,16-dihydroxy-10-(hydroxymethyl)-4,6-dimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.1⁴,⁷]octadec-1(16)-ene-11,15-dione
(1s,2s,5s,14s,15r,18r,19s)-10-hydroxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁷,¹²]pentacosa-7,9,11-trien-20-one
(1r,2s,5r,6s)-1-[(1s,4e)-5-[(1r,3r,6r)-3,6-dihydroxy-2,2,6-trimethylcyclohexyl]-1-hydroxy-3-methylpenta-2,4-dien-1-yl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
(2r,4r)-4-ethenyl-2-hydroxy-4,10-dimethyl-2-[(2r,3r)-3-methyl-3-(4-methylpent-3-en-1-yl)oxiran-2-yl]-3h-pyrano[3,2-c]chromen-5-one
2'-hydroxy-5,8a,11'-trimethyl-5,6,7,8,9,9a-hexahydro-3ah-6',8'-dioxaspiro[naphtho[2,3-b]furan-3,5'-tricyclo[7.4.0.0²,⁷]tridecane]-1'(13'),9',11'-trien-2-one
3-(3,7-dimethyloct-6-en-1-yl)-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid
5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl (2e)-4,5-dihydroxyhex-2-enoate
4-ethenyl-2-hydroxy-4,10-dimethyl-2-[3-methyl-3-(4-methylpent-3-en-1-yl)oxiran-2-yl]-3h-pyrano[3,2-c]chromen-5-one
3-[(1s,4as,7s,7ar)-4,7-dimethyl-3-(3-methylbutanoyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]-4-hydroxy-5-methylchromen-2-one
(8s,8ar,10as)-2,3-dihydroxy-4-isopropyl-7,10a-dimethyl-8-(3-methylbut-2-en-1-yl)-9,10-dioxo-8,8a-dihydro-5h-anthracene-1-carbaldehyde
7,8-diformyl-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl 3-(4-methoxyphenyl)prop-2-enoate
(3r,3ar,4r,5s,7as)-7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl (2e)-3-[(2r,3r)-3-methyloxiran-2-yl]prop-2-enoate
(1s,2r,4ar,8ar)-1-hydroxy-1,4a-dimethyl-6-oxo-7-(propan-2-ylidene)-hexahydronaphthalen-2-yl (2s,3s)-3-(acetyloxy)-2-hydroxy-2-methylbutanoate
(2s,3r,4r,5r,6s)-2-{[(3s)-8-hydroxy-5,7-dimethyl-3-pentyl-3,4-dihydro-1h-2-benzopyran-6-yl]oxy}-6-methyloxane-3,4,5-triol
2-methyl-5-[2-oxo-5-(2,3,8-trihydroxy-2,6-dimethyloct-6-en-1-yl)-5h-furan-3-yl]pent-2-en-1-yl acetate
(2e,4e,6e)-7-[(2s,4's,4'ar,5'r,7's)-5,5',7'-trimethyl-3,6'-dioxo-3',4',4'a,5',7',8'-hexahydrospiro[furan-2,2'-naphthalen]-4'-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
3-[(3z,6z)-14-(2,3-dihydroxyphenyl)tetradeca-3,6-dien-1-yl]benzene-1,2-diol
methyl 4,6-dimethyl-7-[3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1h-naphthalen-1-yl]hepta-2,4,6-trienoate
3,8,8,14-tetramethyl-21-methylidene-7,18-dioxahexacyclo[12.7.1.0²,¹².0³,⁹.0¹²,²⁰.0¹⁶,²⁰]docos-4-ene-6,17,22-trione
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(2s)-heptan-2-yloxy]oxane-3,4,5-triol
2-[(1s,2r,4r,7r,8s,12r)-8-(acetyloxy)-2,7-dihydroxy-1,7-dimethyl-11-methylidene-15-oxabicyclo[10.2.1]pentadecan-4-yl]prop-2-enoic acid
(1r,3r,4s,6s,7s,8r,10s,13s,14r,16s)-4,6,7,14,16-pentahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-3-yl acetate
(8r,8as,10ar)-2,3-dihydroxy-4-isopropyl-7,10a-dimethyl-8-(3-methylbut-2-en-1-yl)-9,10-dioxo-8,8a-dihydro-5h-anthracene-1-carbaldehyde
(1r,2s,3r,9r,12s,14r,16s,20s)-3,8,8,14-tetramethyl-21-methylidene-7,18-dioxahexacyclo[12.7.1.0²,¹².0³,⁹.0¹²,²⁰.0¹⁶,²⁰]docos-4-ene-6,17,22-trione
7-(3,7-dimethylocta-2,6-dien-1-yl)-3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one
(3s,4ar,5r,6s,6as,10s,10ar,10bs)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2h-naphtho[2,1-b]pyran-6-yl acetate
13-(3-hydroxy-3-methylbut-1-en-1-yl)-9,14,18-trimethyl-4,12,20-trioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]icosa-2(11),5,7,9-tetraen-3-one
2,3-dihydro-7-methoxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadien-6-onyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004013","Ingredient_name": "2,3-dihydro-7-methoxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadien-6-onyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C25H30O5","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)OC)OC2=O)OC1(C)CCC=C(C)CC(=O)C=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5665","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}