Exact Mass: 313.110273
Exact Mass Matches: 313.110273
Found 500 metabolites which its exact mass value is equals to given mass value 313.110273,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Laurolitsine
Laurolistine is an aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is a member of phenols, an aromatic ether and an aporphine alkaloid. It is functionally related to an aporphine. Laurolitsine is a natural product found in Damburneya salicifolia, Neolitsea sericea, and other organisms with data available. Laurolitsine is an alkaloid from Sassafras and the leaves of Peumus boldus (boldo). Laurolitsine is a flavouring ingredient. Alkaloid from Sassafras and the leaves of Peumus boldus (boldo). Flavouring ingredient
Moupinamide
N-feruloyltyramine is a member of tyramines. It has a role as a metabolite. Moupinamide is a natural product found in Zanthoxylum beecheyanum, Polyalthia suberosa, and other organisms with data available. See also: Tobacco Leaf (part of); Cannabis sativa subsp. indica top (part of); Ipomoea aquatica leaf (part of). Alkaloid from Piper nigrum. Moupinamide is found in many foods, some of which are nutmeg, amaranth, sapodilla, and orange bell pepper. Moupinamide is found in eggplant. Moupinamide is an alkaloid from Piper nigru CASMI2013 Challenge_1 MS2 data; [MS1] MSJ00001 CASMI2013 Challenge_1 MS1 data; [MS2] MSJ00002 N-trans-Feruloyltyramine (N-feruloyltyramine), an alkaloid from Piper nigru, is an inhibitor of COX1 and COX2, with potential antioxidant properties. N-trans-Feruloyltyramine possesses anti-inflammatory activity[1]. N-trans-Feruloyltyramine (N-feruloyltyramine), an alkaloid from Piper nigru, is an inhibitor of COX1 and COX2, with potential antioxidant properties. N-trans-Feruloyltyramine possesses anti-inflammatory activity[1].
BAS 490 F
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 154 Kresoxim-methyl (BAS 490 F), a Strobilurin-based fungicide, inhibits the respiration at the complex III (cytochrome bc1 complex). Kresoxim-methyl binds to complex III from yeast with an apparent Kd of 0.07 μM proving a high affinity for this enzyme[1][2].
Amoxapine
C17H16ClN3O (313.09818359999997)
Amoxapine, the N-demethylated derivative of the antipsychotic agent loxapine, is a dibenzoxazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, amoxapine does not affect mood or arousal, but may cause sedation. In depressed individuals, amoxapine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. In addition, TCAs down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Amoxapine may be used to treat neurotic and reactive depressive disorders, endogenous and psychotic depression, and mixed symptoms of depression and anxiety or agitation. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake 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 > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Flunitrazepam
A benzodiazepine with pharmacologic actions similar to those of diazepam that can cause anterograde amnesia. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug. [PubChem] N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(S)-5'-Deoxy-5'-(methylsulfinyl)adenosine
C11H15N5O4S (313.08447100000006)
(S)-5-Deoxy-5-(methylsulfinyl)adenosine is found in mushrooms. (S)-5-Deoxy-5-(methylsulfinyl)adenosine is produced by Ganoderma lucidum (reishi). Production by Ganoderma lucidum (reishi). (R)-5-Deoxy-5-(methylsulfinyl)adenosine is found in mushrooms.
Avenanthramide 1f
Avenanthramide 1f is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Muricinine
Alkaloid from Annona muricata (soursop). Muricinine is found in custard apple, fruits, and soursop. Muricinine is found in custard apple. Muricinine is an alkaloid from Annona muricata (soursop
Laurelliptine
Laurelliptine is found in fruits. Laurelliptine is an alkaloid from Zizyphus jujuba (Chinese date). Alkaloid from Zizyphus jujuba (Chinese date). Laurelliptine is found in fruits. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2]. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2]. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2].
Tyramine glucuronide
Tyramine glucuronide is a natural human metabolite of Tyramine generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Tyramine glucuronide is a natural human metabolite of Tyramine generated in the liver by UDP glucuonyltransferase.
N-cis-Feruloyltyramine
Isolated from bell pepper. N-cis-Feruloyltyramine is found in many foods, some of which are cherimoya, yellow bell pepper, green bell pepper, and pepper (c. annuum). N-cis-Feruloyltyramine is found in cherimoya. N-cis-Feruloyltyramine is isolated from bell pepper.
Avenanthramide E
(Z)-Avenanthramide E is found in cereals and cereal products. (Z)-Avenanthramide E is isolated from oat. Isolated from the oat Avena sativa. Avenanthramide E is found in oat and cereals and cereal products.
norcisapride
C14H20ClN3O3 (313.11931200000004)
norcisapride is a metabolite of cisapride. Cisapride is a gastroprokinetic agent, a drug which increases motility in the upper gastrointestinal tract. It acts directly as a serotonin 5-HT4 receptor agonist and indirectly as a parasympathomimetic. Stimulation of the serotonin receptors increases acetylcholine release in the enteric nervous system. It has been sold under the trade names Prepulsid (Janssen-Ortho) and Propulsid (in the U.S.). It was discovered by Janssen Pharmaceutica in 1980. (Wikipedia)
2-Methylthioadenosine
C11H15N5O4S (313.08447100000006)
4-(4-Guanidinobenzoyloxy)phenylacetate
Arimoclomol
C14H20ClN3O3 (313.11931200000004)
Benorilate
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-morpholinoethyl)-
Ecopipam
C19H20ClNO (313.12333400000006)
Flubendazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Flubendazole is an anthelmintic drug based on altering microtubule structure, inhibition of tubulin polymerization and disruption of microtubule function. Flubendazole induces apoptosis in human colorectal cancer (CRC) by blocking the STAT3 signaling axis and activation of autophagy. Flubendazole induces P53 expression and reduced Cyclin B1 and p-cdc2 expression. Flubendazole is an antitumor agent. Flubendazole can be used for worm and intestinal parasites[1][2].
Mitonafide
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
N-(4-Methylphenyl)diphenimide
Pipethiadene
N-(5-Chlorosalicyloyl)-8-aminocaprylic acid
C15H20ClNO4 (313.10807900000003)
Menisdaurin
(2Z)-2-[(4S,6R)-4-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile is a natural product found in Sinomenium acutum, Ilex verticillata, and other organisms with data available.
63J46T4EQ3
Norisoboldine is a natural product found in Cassytha pubescens, Cocculus laurifolius, and other organisms with data available. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2]. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2]. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2].
Laetanine
Laetanine is a natural product found in Ocotea teleiandra, Lindera glauca, and Hazomalania voyronii with data available. Laetanine, a noraporphine alkaloid from Litsea laeta, exhibits antiplasmodial activity[1].
(1S)-2,3,12,12a-Tetrahydro-10-methoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinoline-6,9-diol
N-trans-Caffeoyl-O-methyltyramine
N-Caffeoyl O-methyltyramine is a class of alkaloid isolated from Cuscuta reflexa with strong inhibitory activity against α-glucosidase (IC50 of 103.58 μM)[1]. N-Caffeoyl O-methyltyramine is a class of alkaloid isolated from Cuscuta reflexa with strong inhibitory activity against α-glucosidase (IC50 of 103.58 μM)[1].
Flubendazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3659 CONFIDENCE standard compound; INTERNAL_ID 1163 CONFIDENCE standard compound; INTERNAL_ID 1063 Flubendazole is an anthelmintic drug based on altering microtubule structure, inhibition of tubulin polymerization and disruption of microtubule function. Flubendazole induces apoptosis in human colorectal cancer (CRC) by blocking the STAT3 signaling axis and activation of autophagy. Flubendazole induces P53 expression and reduced Cyclin B1 and p-cdc2 expression. Flubendazole is an antitumor agent. Flubendazole can be used for worm and intestinal parasites[1][2].
2-beta-D-glucopyranosyloxy-p-hydroxy-6,7-dihydromandelonitrile
(E)-4-(4,6-dimethoxyfuro[2,3-b]quinolin-5-yl)-2-methyl-3-buten-2-ol
desulfobenzyl GL|desulfoglucotropaeolin|DS-GTL
C14H19NO5S (313.09838840000003)
(2E)-N-[2-(4-hydroxy-2-methoxy-phenyl)ethyl]-3-(4-hydroxy-phenyl)-acrylamide
(E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]prop-2-enamide|tribulusamide D
7?-(3?,4?-dihydroxyphenyl)-N-[(4-methoxyphenyl)ethyl]propenamide
(7E)-N-(3-hydroxyl-4-methoxy)phenylethyl-4-hydroxyl-cinnamamide
(2R)-2-(beta-D-glucopyranosyloxy)phenylacetamide|(2R)-2-O-(beta-D-glucopyranosyl)mandelamide|2-beta-D-glucopyranosyloxy-2-phenylacetic acid amide|prunasinamide
1-[(beta-D-glucopyranosyloxy)methyl]-5,6-dihydropyrrolizin-7-one|7-[(beta-D-glucopyranosyloxy)methy]-2,3-dihydro-1H-pyrrolizin-1-one
15,16-methanediyldioxy-3beta-methoxy-erythrin-1(6)-en-2-one|Erythratinon|erythratinone
cassiarin B
An isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinolin-8(4H)-one substituted by methyl groups at positions 2 and 5 and a 4-methoxy-4-oxobutyl group at position 4. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum.
(??)-Isocephalotaxinone|Isocephalotaxinone|Natural-Isocephalotaxinone
N,N-Dimethyl-glycin-(6-phenyl-benzo[1,3]dioxol-5-ylmethylester)|N,N-Dimethyl-glycin-<4,5-methylendioxy-2-phenyl-benzylester>|N,N-dimethyl-glycine-(6-phenyl-benzo[1,3]dioxol-5-ylmethyl ester)
perfamine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
2,9,10-trihydroxy-3-methoxytetrahydro-protoberberine
7-DP-MPE-P
Cuscuta propenamide 1 is an enamide obtained by the formal condensation of 4-methoxyphenylethylamine with trans-caffeic acid. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against alpha-glucosidase (EC 3.2.1.20). It has a role as a metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is an enamide, a member of catechols, a monomethoxybenzene and a secondary carboxamide. It is functionally related to a trans-caffeic acid and a 4-methoxyphenylethylamine. Cuscuta propenamide 1 is a natural product found in Microcos paniculata, Cuscuta reflexa, and Fissistigma oldhamii with data available. An enamide obtained by the formal condensation of 4-methoxyphenylethylamine with trans-caffeic acid. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against alpha-glucosidase (EC 3.2.1.20). N-Caffeoyl O-methyltyramine is a class of alkaloid isolated from Cuscuta reflexa with strong inhibitory activity against α-glucosidase (IC50 of 103.58 μM)[1]. N-Caffeoyl O-methyltyramine is a class of alkaloid isolated from Cuscuta reflexa with strong inhibitory activity against α-glucosidase (IC50 of 103.58 μM)[1].
flunitrazepam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3681 CONFIDENCE standard compound; INTERNAL_ID 1595
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
C14H19NO7_(2R)-2-(beta-D-Glucopyranosyloxy)-2-phenylacetamide
amoxapine
C17H16ClN3O (313.09818359999997)
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake 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 > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 902; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7940; ORIGINAL_PRECURSOR_SCAN_NO 7938 CONFIDENCE standard compound; INTERNAL_ID 902; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7961; ORIGINAL_PRECURSOR_SCAN_NO 7960 CONFIDENCE standard compound; INTERNAL_ID 902; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7991; ORIGINAL_PRECURSOR_SCAN_NO 7989 CONFIDENCE standard compound; INTERNAL_ID 902; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7990; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 902; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7970; ORIGINAL_PRECURSOR_SCAN_NO 7967 CONFIDENCE standard compound; INTERNAL_ID 902; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7997; ORIGINAL_PRECURSOR_SCAN_NO 7994
kresoxim-methyl
CONFIDENCE standard compound; INTERNAL_ID 2639 Kresoxim-methyl (BAS 490 F), a Strobilurin-based fungicide, inhibits the respiration at the complex III (cytochrome bc1 complex). Kresoxim-methyl binds to complex III from yeast with an apparent Kd of 0.07 μM proving a high affinity for this enzyme[1][2].
Salinosporamide A
C15H20ClNO4 (313.10807900000003)
A salinosporamide in which the core (1R)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione skeleton is substituted at positions 1, 4, and 5 by (1S)-cyclohex-2-en-1-yl(hydroxy)methyl, 2-chloroethyl, and methyl groups, respectively (the 1R,4R,5S diastereoisomer). A potent proteasome inhibitor, it has attracted interest for potential use in the treatment of various cancers.
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide [IIN-based: Match]
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide [IIN-based on: CCMSLIB00000845924]
2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4276; ORIGINAL_PRECURSOR_SCAN_NO 4274 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4758; ORIGINAL_PRECURSOR_SCAN_NO 4757 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4784; ORIGINAL_PRECURSOR_SCAN_NO 4783 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4768; ORIGINAL_PRECURSOR_SCAN_NO 4766 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4857; ORIGINAL_PRECURSOR_SCAN_NO 4855 CONFIDENCE standard compound; INTERNAL_ID 303; 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 303; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9105; ORIGINAL_PRECURSOR_SCAN_NO 9103 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9180; ORIGINAL_PRECURSOR_SCAN_NO 9178 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9206; ORIGINAL_PRECURSOR_SCAN_NO 9201 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9159; ORIGINAL_PRECURSOR_SCAN_NO 9157 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9172; ORIGINAL_PRECURSOR_SCAN_NO 9171 CONFIDENCE standard compound; INTERNAL_ID 303; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9164; ORIGINAL_PRECURSOR_SCAN_NO 9163
2-Methylthioadenosine; LC-tDDA; CE10
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; LC-tDDA; CE20
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; LC-tDDA; CE30
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; LC-tDDA; CE40
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; AIF; 0eV; CorrDec
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; AIF; 30eV; CorrDec
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; AIF; 10eV; CorrDec
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; AIF; 0eV; MS2Dec
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; AIF; 10eV; MS2Dec
C11H15N5O4S (313.08447100000006)
2-Methylthioadenosine; AIF; 30eV; MS2Dec
C11H15N5O4S (313.08447100000006)
Benorilate
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents
Norcisapride
C14H20ClN3O3 (313.11931200000004)
Platelet-activating factor
C11H24NO7P (313.12903239999997)
PC(3:0/0:0)
C11H24NO7P (313.12903239999997)
PC(0:0/3:0)
C11H24NO7P (313.12903239999997)
PC(0:0/3:0)[U]
C11H24NO7P (313.12903239999997)
15-Lipoxygenase Inhibitor 1
4-MMPB is a selective inhibitor of 15-lipoxygenase, with an IC50 of 18 μM. 4-MMPB has IC50s of 19.5 μM and 19.1 μM for soybean 15-lipoxygenase (SLO) and human 15-lipoxygenase-1 (15-LOX-1), respectively. 4-MMPB has potential for the research of prostate cancer[1][2][3][4].
Muricinine
Laurelliptine
Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2]. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2]. Norisoboldine is an orally active natural aryl hydrocarbon receptor (AhR) agonist. Norisoboldine, as a major isoquinoline alkaloid present in Radix Linderae, can be used for the research of Rheumatoid arthritis and Ulcerative colitis[1][2].
5'-Deoxy-5'-(methylsulfinyl)adenosine, 9CI
C11H15N5O4S (313.08447100000006)
N-cis-Feruloyltyramine
3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoic acid
D-Glucose,2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-
(1R,2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate
C14H19NO5S (313.09838840000003)
tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5H)-carboxylate
C13H19N3O4S (313.10962140000004)
[2-(4,6-DIMETHYL-QUINAZOLIN-2-YLAMINO)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-4-YL]-ACETIC ACID
2-(1-Oxy-pyridin-2-yl)-1,1,3,3-tetramethylisothiouronium tetrafluoroborate
TERT-BUTYL 3-((4-CHLOROPYRIMIDIN-2-YL)OXY)PIPERIDINE-1-CARBOXYLATE
C14H20ClN3O3 (313.11931200000004)
tert-butyl 4-(6-chloropyrimidin-4-yl)oxypiperidine-1-carboxylate
C14H20ClN3O3 (313.11931200000004)
tert-butyl 4-(6-chloropyridazin-3-yl)oxypiperidine-1-carboxylate
C14H20ClN3O3 (313.11931200000004)
1,4-Dihydro-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-4-oxo-2-pyridinecarboxylic acid
9,10-Anthracenedione,1-amino-4-hydroxy-2-(2-methoxyethoxy)-
Boc-(R)-3-AMino-4-(3-chloro-phenyl)-butyric acid
C15H20ClNO4 (313.10807900000003)
BenzeneMethanol, α-(aminomethyl)-α-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)-
C17H16ClN3O (313.09818359999997)
7-piperazin-1-yl-2-(3-pyridyl)thiazolo[5,4-d]pyrimidin-5-amine
C14H15N7S (313.11095900000004)
(2S, 3S)-3-(Boc-amino)-2-Methyl-3-(4-chlorophenyl)propionic acid
C15H20ClNO4 (313.10807900000003)
(2-Amino-4-methoxycarbonylphenyl)boronic acid pinacol ester hydrochloride
3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
5-[(4-METHOXYPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
METHYL 3-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE HYDROCHLORIDE
YM 976
C17H16ClN3O (313.09818359999997)
3-(2,6-Dimethylmorpholin-4-yl)-4-methylsulfonylbenzoicacid
C14H19NO5S (313.09838840000003)
4-((TERT-BUTOXYCARBONYL)AMINO)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID
N-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
Benzenemethanaminium,N,N,N-tripropyl-, bromide (1:1)
C16H28BrN (313.14049880000005)
Boc-(R)-3-amino-4-(4-chlorophenyl)-butyric acid
C15H20ClNO4 (313.10807900000003)
Ethyl 4-(methylsulfonyl)-2-(4-morpholinyl)benzoate
C14H19NO5S (313.09838840000003)
3-(CHLOROPHENYLMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
Boc-(S)-3-amino-4-(2-chlorophenyl)-butyric acid
C15H20ClNO4 (313.10807900000003)
Boc-(S)-3-Amino-4-(3-chloro-phenyl)-butyric acid
C15H20ClNO4 (313.10807900000003)
Boc-(S)-3-Amino-4-(4-chloro-phenyl)-butyric acid
C15H20ClNO4 (313.10807900000003)
(2-Methyl-4-phenylquinolin-3-yl)acetic acid hydrochloride
6-(2-(PYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOXALINE
1-benzyl-5-chlorospiro[1H-2-benzofuran-3,4-piperidine]
C19H20ClNO (313.12333400000006)
Arimoclomol
C14H20ClN3O3 (313.11931200000004)
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent N - Nervous system
(3-(N-cyclohexylsulfamoyl)-4-Methoxyphenyl)boronic acid
C13H20BNO5S (313.11551800000007)
2-N-BOC-2-AMINOMETHYL-3-(3-CHLORO-PHENYL)-PROPIONIC ACID
C15H20ClNO4 (313.10807900000003)
8-chloro-1-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
2-(Fluoroacetyl)-3-(2-methylphenyl)-6-nitroquinazolin-4(3H)-one
2-N-BOC-2-AMINOMETHYL-3-(4-CHLORO-PHENYL)-PROPIONIC ACID
C15H20ClNO4 (313.10807900000003)
benzyl 4-(methanesulfonyloxy)piperidine-1-carboxylate
C14H19NO5S (313.09838840000003)
N-(2,3,5,6-TetraMethylphenylsulfonyl)valine Monohydrate
3-[1-[(3,5-difluorophenyl)methyl]indol-3-yl]prop-2-enoic acid
C18H13F2NO2 (313.09143020000005)
3-((TERT-BUTOXYCARBONYL)AMINO)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2,3-DIHYDRO-2-SPIRO-4-[8-AMINONAPHTHALEN-1(4H)-ONE]PERIMIDINE
tert-butyl N-(benzenesulfonyl)-N-(2-methylpropyl)carbamate
Ticalopride
C14H20ClN3O3 (313.11931200000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
BENZYL (BENZO[D][1,3]DIOXOL-5-YLMETHYL)(ETHYL)CARBAMATE
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
C17H25Cl2N (313.13639500000005)
3-(4-fluorophenyl)-5-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
Boc-(R)-3-amino-4-(2-chlorophenyl)-butyric acid
C15H20ClNO4 (313.10807900000003)
(1-NAPHTHYLAMINOMETHYLENE)MALONIC ACID DIETHYL ESTER
tert-Butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride
C12H25Cl2N3O2 (313.13237300000003)
2-chloro-N-(2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
3-((TERT-BUTOXYCARBONYL)AMINO)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
5-（4-Chlorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazole-1-carboxamide
C17H16ClN3O (313.09818359999997)
2-(5-(4-fluorobenzyl)-3-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)acetic acid
4-(5-AMINO-6-CHLORO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
Ecopipam
C19H20ClNO (313.12333400000006)
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 > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
8-Azabicyclo(3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(methoxymethyl)-8-methyl-, (1R,2R,3S,5S)-
2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
N-(5-Chlorosalicyloyl)-8-aminocaprylic acid
C15H20ClNO4 (313.10807900000003)
4-[2-(4-Methoxycarbonylphenyl)iminohydrazinyl]benzoic acid methyl ester
1-(3,4-Dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione
N-(2,3-dimethylphenyl)-5-(2-fluorophenyl)-6H-1,3,4-thiadiazin-2-amine
4-Chloro-2-[[(1-methyl-5-phenyl-2-imidazolyl)amino]methyl]phenol
C17H16ClN3O (313.09818359999997)
3-[5-(4-Fluorophenyl)-1-(2-furanylmethyl)-2-pyrrolyl]propanoic acid
C18H16FNO3 (313.11141580000003)
1-[4-[[6-Methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone
[2-(2-Methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
N,N,1-triethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
4-(2-Fluorophenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
3-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
C17H16ClN3O (313.09818359999997)
Marizomib
C15H20ClNO4 (313.10807900000003)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor
4-[4-(4-Methyl-2-methylamino-thiazol-5-YL)-pyrimidin-2-ylamino]-phenol
C15H15N5OS (313.09972600000003)
(2s,3s)-3-Formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid
C14H19NO5S (313.09838840000003)
6-(Hydroxyethyldithio)-8-(aminomethylthio)octanoic acid
Norboldine
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-11-ol
3-(4-Morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
Avenanthramide 1f
Avenanthramide 1f is a polyphenol compound found in foods of plant origin (PMID: 20428313)
7,8-Dihydropteroate
A pteroate that is the conjugate base of 7,8-dihydropteroic acid, arising from deprotonation of the carboxy group.
5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione
3-[2-(1-piperidinyl)ethylthio]-5H-[1,2,4]triazino[5,6-b]indole
(4-Phenoxyphenyl) 4-hydroxypiperidine-1-carboxylate
4-Methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide
1-Ethyl-3-[(1-oxo-2,2-diphenylethyl)amino]thiourea
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Ethyl 6-(4-methoxyphenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
1-Benzyl-3-[(E)-1-(2-methoxyphenyl)ethylideneamino]thiourea
2-[[2,3-Dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]benzoic acid methyl ester
N-[(2-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide
2-butyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1,5:1,6]pyrido[3,4-b]indol-1-one
2-Nitrobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester
2-methyl-N-[(5-nitro-2-furanyl)methylideneamino]-3-imidazo[1,2-a]pyridinecarboxamide
2-Phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
6-(3-pyridinyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
5-(1-ethyl-6-methyl-2(1H)-quinolinylidene)-1,3-dimethyl-2-thioxo-4-imidazolidinone
5-amino-4-(1,3-benzothiazol-2-yl)-1-cyclohexyl-2H-pyrrol-3-one
5-Methyl-N-[(E)-1-pyridin-4-ylethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
2-(4-Dimethylaminophenyl)-3-(6-methyl-2-pyridyl)thiazolidin-4-one
N-(2,6-Dimethyl-phenyl)-2-(9H-purin-6-ylsulfanyl)-acetamide
C15H15N5OS (313.09972600000003)
N-[3-carbamoyl-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]carbamic acid methyl ester
C13H19N3O4S (313.10962140000004)
3-[(6-Chloro-2-phenyl-1-benzopyran-4-ylidene)amino]-1-propanol
[(2S)-2-[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]propanoyl]oxy-3-hydroxypropyl] phosphate
C9H18N2O8P- (313.08007380000004)
3,5,6-Trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
(2-Hydroxy-3-propanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
C11H24NO7P (313.12903239999997)
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexanoate
C11H24NO7P (313.12903239999997)
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] propanoate
C10H20NO8P (313.09264900000005)
3-Cyano-4,8-bis(methoxymethyl)azulene-1-carboxylic acid ethyl ester
Norboldine
Laurolistine is an aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is a member of phenols, an aromatic ether and an aporphine alkaloid. It is functionally related to an aporphine. Laurolitsine is a natural product found in Damburneya salicifolia, Neolitsea sericea, and other organisms with data available. An aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase.
Acetylcaranine
An organic heteropentacyclic compound that is caranine in which the hydroxy group is acetylated.
(S)-5-Deoxy-5-(methylsulfinyl)adenosine
C11H15N5O4S (313.08447100000006)
5-Deoxy-5-(methylsulfinyl)adenosine
C11H15N5O4S (313.08447100000006)
A member of the class of adenosines obtained by replacement of the 5-hydroxy group of adenosine by a methylsulfinyl group.
1-methyl-2-acetyl-sn-glycero-3-phosphocholine
C11H24NO7P (313.12903239999997)
2-propionyl-sn-glycero-3-phosphocholine
C11H24NO7P (313.12903239999997)
1-propionyl-sn-glycero-3-phosphocholine
C11H24NO7P (313.12903239999997)
AT13148
C17H16ClN3O (313.09818359999997)
AT13148 is an orally active and ATP-competitive, multi-AGC kinase inhibitor with IC50s of 38 nM/402 nM/50 nM, 8 nM, 3 nM, and 6 nM/4 nM for Akt1/2/3, p70S6K, PKA, and ROCKI/II, respectively.
PNB-001
PNB-001 is an orally active CCK2 selective ligand and antagonist. PNB-001 has anti-inflammatory and analgesic activities[1].
(10s)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaene-6,17-diol
(9s)-5,15-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,16-diol
(2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(methanesulfinylmethyl)oxolane-3,4-diol
C11H15N5O4S (313.08447100000006)
(10s)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,14(18),15-hexaene-4,17-diol
(2z)-3-(4-hydroxy-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
(1s,9r)-3-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,13-pentaen-12-one
2-[(1z)-4-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
(9s)-4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-5,16-diol
4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-5,16-diol
(2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-methoxyphenyl)ethyl]prop-2-enimidic acid
(2e)-3-[(7s)-8,11-dihydroxy-12-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,8,10,12-pentaen-5-yl]prop-2-enimidic acid
2-acetyl-n-[2-(1h-indol-3-yl)ethyl]-1,3-thiazole-4-carboximidic acid
(9s)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-5,14-diol
(12br)-11-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-2,3,10-triol
3-(3,4-dihydroxyphenyl)-n-[2-(4-methoxyphenyl)ethyl]prop-2-enimidic acid
(9s)-4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-3,15-diol
2-[(1e,4s,6s)-4-hydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
(1s,11r,19r)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaen-11-ol
(1s,9s)-5-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,13-pentaen-12-one
2-amino-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid
C14H19NO5S (313.09838840000003)
2-({[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-methoxyoxolan-2-yl]methyl}amino)benzoic acid
10,11-dihydroxy-1,2-dimethoxynoraporphine
{"Ingredient_id": "HBIN000009","Ingredient_name": "10,11-dihydroxy-1,2-dimethoxynoraporphine","Alias": "NA","Ingredient_formula": "C18H19NO4","Ingredient_Smile": "COC1=C(C2=C3C(CC4=C2C(=C(C=C4)O)O)NCCC3=C1)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41164","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,4'-dihydroxyl-6,7-dimethoxyl-8-c-[β-d-xylo-copyranosyl-(1→2)]-β-d-glucopyranosylflavone
C10H17ClFN3O5 (313.08407139999997)
{"Ingredient_id": "HBIN011052","Ingredient_name": "5,4'-dihydroxyl-6,7-dimethoxyl-8-c-[\u03b2-d-xylo-copyranosyl-(1\u21922)]-\u03b2-d-glucopyranosylflavone","Alias": "NA","Ingredient_formula": "C10H17ClFN3O5","Ingredient_Smile": "CC(C(=O)O)NC(=O)C(CCC(C(C(=O)O)N)(F)Cl)N","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(-)-attavenustine
{"Ingredient_id": "HBIN017338","Ingredient_name": "(-)-attavenustine","Alias": "NA","Ingredient_formula": "C18H19NO4","Ingredient_Smile": "COC1=C(C=C2CCN3CC4=CC(=C(C=C4CC3C2=C1)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bellamarine
{"Ingredient_id": "HBIN017726","Ingredient_name": "bellamarine","Alias": "NA","Ingredient_formula": "C18H19NO4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2219","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,4,13,15(19)-pentaen-3-ol
5,6-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaen-17-ol
(8r)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)furo[2,3-b]quinolin-7-one
(1r)-2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-methyl-3,4-dihydro-1h-isoquinolin-6-ol
5,15-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,16-diol
2-[(1z,4s,6s)-4-hydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
(1r,9s)-3-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,13-pentaen-12-one
(12bs)-11-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-2,3,10-triol
(1s,13r,15r)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
(2r)-2-[(4s)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
(2e)-3-(4-hydroxy-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaene-5,17-diol
(1r,4r,5s)-4-(2-chloroethyl)-1-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
C15H20ClNO4 (313.10807900000003)
2-hydroxy-5-({4-[(4-hydroxyphenyl)methyl]-1-methylimidazol-2-yl}imino)-3-methylimidazol-4-one
(9s)-5,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,15-diol
(2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid
C14H19NO5S (313.09838840000003)
2-[(1z,4r,6s)-4-hydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
(3e)-4-{4,6-dimethoxyfuro[2,3-b]quinolin-5-yl}-2-methylbut-3-en-2-ol
(2s)-5-hydroxy-4-[(2e,4e)-1-hydroxy-4-methylhexa-2,4-dien-1-ylidene]-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one
(2s)-7-amino-2,4-dimethyl-2-(2-oxopropyl)naphtho[2,1-b]furan-1,6,9-trione
2-{[(2e)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}benzoic acid
4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)furo[2,3-b]quinolin-7-one
(13r,15r)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
4,6-dimethoxy-8-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline
2-({[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-methoxyoxolan-2-yl]methyl}amino)benzoic acid
2-(4-hydroxyphenyl)-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanimidic acid
4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-3,15-diol
(1s,13r)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
3-(3-hydroxy-4-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
(2s)-2-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]amino}-3-sulfanylpropanoic acid
C14H19NO5S (313.09838840000003)
4,7-dimethoxy-8-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline
5-methyl-5,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(20),2(7),3,9,11,13(21),14(19),15,17-nonaene-6,8-dione
4-{4,6-dimethoxyfuro[2,3-b]quinolin-5-yl}-2-methylbut-3-en-2-ol
(1s,13s,15r)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
5-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,13-pentaen-12-one
(2e)-3-(3-hydroxy-4-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
(12br)-10-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,4,11-triol
4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,4,13,15(19)-pentaen-3-ol
5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaene-6,17-diol
7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyrrolizin-1-one
2-[(1z,4s,6r)-4-hydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
4,6-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline
(9r)-5,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,15-diol
5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,14(18),15-hexaene-4,17-diol
4,7-dimethoxy-7-(3-methylbut-2-en-1-yl)furo[2,3-b]quinolin-8-one
(2s)-2-[(4s)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
2-({[3,4-dihydroxy-5-(hydroxymethyl)-2-methoxyoxolan-2-yl]methyl}amino)benzoic acid
4-(2-aminoethyl)phenyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-3,16-diol
16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4,15-triol
(9r)-4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-5,15-diol
(9s)-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4,15-triol
(10s)-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaene-5,17-diol
(7r)-4,7-dimethoxy-7-(3-methylbut-2-en-1-yl)furo[2,3-b]quinolin-8-one
(10r)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,14(18),15-hexaene-4,17-diol
4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-5,15-diol
(9r)-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4,15-triol
2-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-yl acetate
15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4-diol
n-[2-(acetyloxy)-2-(4-methoxyphenyl)ethyl]benzenecarboximidic acid
15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-5,14-diol
5,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,15-diol
5-[(1r)-5-hydroxy-7-methoxy-3-oxo-1h-2-benzofuran-1-yl]-2-[(1e)-prop-1-en-1-yl]-1h-pyridin-4-one
4-(4-hydroxy-3-methoxyphenyl)-1-{[(4-hydroxyphenyl)methyl]amino}but-3-en-2-one
2-(hydroxymethyl)-6-{10-oxa-2-azatricyclo[4.3.1.0³,⁹]deca-3(9),4-dien-8-yloxy}oxane-3,4,5-triol
7-hydroxy-8,11-dimethoxy-1h,2h,4h,5h-indolo[7a,1-a]isoquinolin-12-one
(2s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-one
3-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,13-pentaen-12-one
(1r,9r)-5-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,13-pentaen-12-one
5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl acetate
2-[(1z,4s,6r)-4-hydroxy-6-{[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydropyrrolizin-1-one
4,7-dimethoxy-6-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline
4-(2-chloroethyl)-1-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
C15H20ClNO4 (313.10807900000003)
7-amino-2,4-dimethyl-2-(2-oxopropyl)naphtho[2,1-b]furan-1,6,9-trione
(9s)-3,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,15-diol
(10s)-5,6-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaen-17-ol
(9br)-7-hydroxy-8,11-dimethoxy-1h,2h,4h,5h-indolo[7a,1-a]isoquinolin-12-one
(1r,4s,5s)-4-(2-chloroethyl)-1-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
C15H20ClNO4 (313.10807900000003)
n-(2-{4-hydroxy-2-[(1e)-2-(4-hydroxyphenyl)ethenyl]phenyl}ethyl)methoxycarboximidic acid
4,8-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline
4,11-dimethoxy-5-methyl-2h-[1,3]dioxolo[4,5-b]acridin-10-one
4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-one
(9s)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4-diol
5,17-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,14(18),15-hexaen-4-ol
(9r)-4,5-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-15,16-diol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1s,6r,8s)-10-oxa-2-azatricyclo[4.3.1.0³,⁹]deca-3(9),4-dien-8-yloxy]oxane-3,4,5-triol
(2r,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-one
(10s)-5,17-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,14(18),15-hexaen-4-ol
(3e)-4-(4-hydroxy-3-methoxyphenyl)-1-{[(4-hydroxyphenyl)methyl]amino}but-3-en-2-one
(12bs)-10-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-2,3,11-triol
3-(4-hydroxy-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
4-(2-aminoethyl)phenyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
6,11-dimethoxy-5-methyl-2h-[1,3]dioxolo[4,5-b]acridin-10-one
3,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-4,15-diol
(2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(s)-methanesulfinylmethyl]oxolane-3,4-diol
C11H15N5O4S (313.08447100000006)