Compounds > pseudonicotine
Page last updated: 2024-12-08

pseudonicotine

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Description

pseudonicotine: structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

(R)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID157672
CHEMBL ID9732
CHEBI ID39162
SCHEMBL ID20518
MeSH IDM0062494

Synonyms (44)

Synonym
AC-12917
chembl9732 ,
(r)-3-(1-methyl-2-pyrrolidinyl)pyridine
brn 4666243
pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (r)-
2'-beta-h-nicotine
PDSP2_000113
PDSP1_000557
25162-00-9
3-[(2r)-1-methylpyrrolidin-2-yl]pyridine
d-nicotine
(r)-nicotine
CHEBI:39162 ,
(+)-nicotine
pseudonicotine
NCGC00163360-01
(r)-3-(1-methylpyrrolidin-2-yl)pyridine
3-[(2r)-1-methyl-2-pyrrolidinyl]pyridine
d-(+)-nicotine
r-(+)-nicotine
nicotine-d salicylate
bdbm82068
nicotine-l salicylate
NCGC00163360-02
tox21_112053
dtxcid8026351
dtxsid0046351 ,
cas-25162-00-9
AKOS006238318
unii-42xnu684z1
42xnu684z1 ,
nicotine, (+)-
5-23-06-00064 (beilstein handbook reference)
(r)-(+)-nicotine
SCHEMBL20518
NCGC00090693-11
tox21_112053_1
pyridine, 3-((2r)-1-methyl-2-pyrrolidinyl)-
2'.beta.h-nicotine
pyridine, 3-[(2r)-1-methyl-2-pyrrolidinyl]-
J-015844
Q27119762
SNICXCGAKADSCV-SNVBAGLBSA-N
352-(+)-nicotine

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" Potent and specific inhibitors of the CYP2A6 enzyme can be used in the future to increase nicotine bioavailability and thus make oral nicotine administration feasible in smoking cessation therapy."( Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
Juvonen, RO; Poso, A; Rahnasto, M; Raunio, H; Wittekindt, C, 2005)		0.33
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)		0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
3-(1-methylpyrrolidin-2-yl)pyridineAn N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency0.14130.004023.8416100.0000AID485290
hypoxia-inducible factor 1 alpha subunitHomo sapiens (human)Potency26.83253.189029.884159.4836AID1224846
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency4.46680.011212.4002100.0000AID1030
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency38.90180.01237.983543.2770AID1645841
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency0.19000.057821.109761.2679AID1159526
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency35.48130.251215.843239.8107AID504327
lamin isoform A-delta10Homo sapiens (human)Potency0.00450.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Ki0.03800.00000.12345.5000AID146620
Cytochrome P450 2A6Homo sapiens (human)IC50 (µMol)580.00000.00443.889510.0000AID241172
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Ki0.03800.00000.10825.5000AID146620
Cytochrome P450 2A5Mus musculus (house mouse)IC50 (µMol)160.00001.00004.20259.7051AID241174
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (6)

Processvia Protein(s)Taxonomy
xenobiotic metabolic processCytochrome P450 2A6Homo sapiens (human)
steroid metabolic processCytochrome P450 2A6Homo sapiens (human)
coumarin metabolic processCytochrome P450 2A6Homo sapiens (human)
xenobiotic catabolic processCytochrome P450 2A6Homo sapiens (human)
coumarin catabolic processCytochrome P450 2A6Homo sapiens (human)
epoxygenase P450 pathwayCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (6)

Processvia Protein(s)Taxonomy
iron ion bindingCytochrome P450 2A6Homo sapiens (human)
coumarin 7-hydroxylase activityCytochrome P450 2A6Homo sapiens (human)
enzyme bindingCytochrome P450 2A6Homo sapiens (human)
heme bindingCytochrome P450 2A6Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygenCytochrome P450 2A6Homo sapiens (human)
arachidonic acid epoxygenase activityCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (4)

Processvia Protein(s)Taxonomy
endoplasmic reticulum membraneCytochrome P450 2A6Homo sapiens (human)
cytoplasmic microtubuleCytochrome P450 2A6Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 2A6Homo sapiens (human)
cytoplasmCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (112)

Assay IDTitleYearJournalArticle
AID1347401Redox Reaction Profiling qHTS: Assay Interference Panel against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347352COV-362 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347402qHTS for inhibitors of Rabies Virus screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347348OV-SAHO Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347389qHTS assay for small molecule disruptors of mitochondrial membrane potential screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347381Inflammasome Signaling qHTS Counterscreen: IL-1-beta AlphaLISA counterscreen against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347374qHTS for Hypoxia signaling pathway (HIF-1) antagonists against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347346HPAF-II Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347372qHTS for Constitutive Androstane Receptor (CAR) Antagonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347387Cytotoxicity qHTS for assessment of Hepg2 cells membrane integrity screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347357HEK293 18hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347394Vero-766 cells viability qHTS against the NCATS CANVASS Library: Counterscreen for Zika virus inhibition assay2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347364KB-8-5-11 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347354UWB1.289-WTBRCA1 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347379qHTS for Inflammasome Signaling Inhibitors: IL-1-beta AlphaLISA screen against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347353A2780 Cisplatin Sensitive Ovarian Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347355HEK-293 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347365SDT Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347392qHTS for activators of dead-cell proteases activity screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347391qHTS for activators of Nrf2/ARE signaling pathway screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347350SW1088 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347396qHTS for inhibitors of Wild type Zika virus screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347378qHTS for H2AX Agonists against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347393qHTS for inhibitors of ER calcium dysfunction: SERCaMP assay screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347359HEK293 24hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID134737610-beta competent E. coli microbial cell viability qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347362Diaphorse counterscreen qHTS: Assay Interference Panel against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347388qHTS for Activators of p53 Stress Response Pathway screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347361HEK293 12hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347400Viability qHTS for inhibitors of the SERCaMP assay screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347360HPAF-II 18hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347367qHTS for ATAD5 Agonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347351U-118MG Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347370qHTS for ATAD5 Antagonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347363Firefly luciferase counterscreen qHTS: Assay Interference Panel against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347358HPAF-II 12hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347368G06 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347390Secretion counterscreen for inhibitors of the SERCaMP assay screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347375qHTS for Hypoxia signaling pathway (HIF-1) agonists against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347349Panc-1005 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347356HPAF-II 24hr Apoptosis Induction qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347366KB-3-1 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347373qHTS for Constitutive Androstane Receptor (CAR) Agonist screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347380qHTS for Antimalaria activity screened against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347371J3T Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347345OV-KATE Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347369MCF7 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347347UWB1.289 Cancer Cell Toxicity qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347377DH5-alpha competent E. coli microbial cell viability qHTS against the NCATS CANVASS Library2018ACS central science, Dec-26, Volume: 4, Issue:12
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID52138Binding affinity at CCR was determined by displacement of [3H]nicotine from rat brain1994Journal of medicinal chemistry, Apr-15, Volume: 37, Issue:8
Novel isoxazoles which interact with brain cholinergic channel receptors have intrinsic cognitive enhancing and anxiolytic activities.
AID1076775Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of amyloid beta 1 to 42-induced toxicity by measuring cell viability at 100 uM pretreated for 24 hrs followed by amyloid beta 1 to 42 challenge measured after 22014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID1076770Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of amyloid beta 1 to 42-induced toxicity by measuring cell viability at 1 uM pretreated for 24 hrs followed by amyloid beta 1 to 42 challenge measured after 24 2014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID242975Ratio of IC50 for human CYP2A6 to that of mouse CYP2A5 was determined2005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID146614In vitro inhibition of [3H]-Cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 at 100 uM2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
Synthesis and biological evaluation at nicotinic acetylcholine receptors of N-arylalkyl- and N-aryl-7-azabicyclo[2.2.1]heptanes.
AID225712In vitro binding affinity to neuronal nAChRs was determined by measuring the displacement of [3H]cytisine in rat brain1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Ligands for brain cholinergic channel receptors: synthesis and in vitro characterization of novel isoxazoles and isothiazoles as bioisosteric replacements for the pyridine ring in nicotine.
AID146620Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes2004Bioorganic & medicinal chemistry letters, Apr-19, Volume: 14, Issue:8
Epibatidine structure-activity relationships.
AID52136Binding affinity at CCR was determined by displacement of [3H]OXO-M from rat brain1994Journal of medicinal chemistry, Apr-15, Volume: 37, Issue:8
Novel isoxazoles which interact with brain cholinergic channel receptors have intrinsic cognitive enhancing and anxiolytic activities.
AID241174Inhibitory concentration against mouse cytochrome P450 2A52005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID1076772Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of amyloid beta 1 to 42-induced toxicity by measuring cell viability at 10 nM pretreated for 24 hrs followed by amyloid beta 1 to 42 challenge measured after 242014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID1076771Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of amyloid beta 1 to 42-induced toxicity by measuring cell viability at 100 nM pretreated for 24 hrs followed by amyloid beta 1 to 42 challenge measured after 22014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID265642Antinociceptive activity in mouse by tail flick assay2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis and pharmacological characterization of nicotinic acetylcholine receptor properties of (+)- and (-)-pyrido-[3,4-b]homotropanes.
AID1076769Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of amyloid beta 1 to 42-induced toxicity by measuring cell viability at 10 uM pretreated for 24 hrs followed by amyloid beta 1 to 42 challenge measured after 242014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID52137Binding affinity at CCR was determined by displacement of [3H]cytisine from rat brain1994Journal of medicinal chemistry, Apr-15, Volume: 37, Issue:8
Novel isoxazoles which interact with brain cholinergic channel receptors have intrinsic cognitive enhancing and anxiolytic activities.
AID265653Spontaneous activity in mouse2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis and pharmacological characterization of nicotinic acetylcholine receptor properties of (+)- and (-)-pyrido-[3,4-b]homotropanes.
AID52134Binding affinity at CCR was determined by displacement of [125I]- alpha-BgT from Torpedo californica electroplax1994Journal of medicinal chemistry, Apr-15, Volume: 37, Issue:8
Novel isoxazoles which interact with brain cholinergic channel receptors have intrinsic cognitive enhancing and anxiolytic activities.
AID1076764Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of glutamate-induced toxicity by measuring cell viability at 100 uM pretreated for 24 hrs followed by glutamate challenge measured after 24 hrs by MTT assay rel2014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID52135Binding affinity at CCR was determined by displacement of [125I]- alpha-BgT from rat brain1994Journal of medicinal chemistry, Apr-15, Volume: 37, Issue:8
Novel isoxazoles which interact with brain cholinergic channel receptors have intrinsic cognitive enhancing and anxiolytic activities.
AID241172Inhibitory concentration against human cytochrome P450 2A62005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID1076766Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of glutamate-induced toxicity by measuring cell viability at 1 uM pretreated for 24 hrs followed by glutamate challenge measured after 24 hrs by MTT assay relat2014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID1076765Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of glutamate-induced toxicity by measuring cell viability at 10 uM pretreated for 24 hrs followed by glutamate challenge measured after 24 hrs by MTT assay rela2014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID265641Displacement of [3H]epibatidine from alpha-4-beta-2 nACHR in rat cerebral cortex2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis and pharmacological characterization of nicotinic acetylcholine receptor properties of (+)- and (-)-pyrido-[3,4-b]homotropanes.
AID192639In vitro neuronal nAChRs evoked [3H]dopamine release was determined in rat striatal slices at concentration of 10e-6 M1994Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26
Ligands for brain cholinergic channel receptors: synthesis and in vitro characterization of novel isoxazoles and isothiazoles as bioisosteric replacements for the pyridine ring in nicotine.
AID265646Antinociceptive activity in sc dosed mouse by hot plate assay after 5 mins2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis and pharmacological characterization of nicotinic acetylcholine receptor properties of (+)- and (-)-pyrido-[3,4-b]homotropanes.
AID1076767Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of glutamate-induced toxicity by measuring cell viability at 100 nM pretreated for 24 hrs followed by glutamate challenge measured after 24 hrs by MTT assay rel2014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID1076768Neuroprotective activity in Sprague-Dawley rat primary cortical neurons assessed as inhibition of glutamate-induced toxicity by measuring cell viability at 10 nM pretreated for 24 hrs followed by glutamate challenge measured after 24 hrs by MTT assay rela2014Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6
Evaluation of nicotine and cotinine analogs as potential neuroprotective agents for Alzheimer's disease.
AID265650Hypothermia in mouse2006Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11
Synthesis and pharmacological characterization of nicotinic acetylcholine receptor properties of (+)- and (-)-pyrido-[3,4-b]homotropanes.
AID1102410Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillation counting method2003Bioscience, biotechnology, and biochemistry, May, Volume: 67, Issue:5
Asymmetric chloronicotinyl insecticide, 1-[1-(6-chloro-3-pyridyl)ethyl]-2-nitroiminoimidazolidine: preparation, resolution and biological activities toward insects and their nerve preparations.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (20)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's2 (10.00)18.2507
2000's6 (30.00)29.6817
2010's6 (30.00)24.3611
2020's6 (30.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.90

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index11.90 (24.57)
Research Supply Index3.04 (2.92)
Research Growth Index4.94 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.90)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (5.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other19 (95.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
benzaldehyde
[no description available]		2.0210benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
coumarin
2H-chromen-2-one: coumarin derivative		2.0210coumarinsfluorescent dye;
human metabolite;
plant metabolite
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.		2.1710trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
norcotinine
norcotinine: RN given refers to compound without isomeric designation; metabolite of cotinine		2.110pyridines;
pyrrolidines
indoleacetic acid
indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.		2.1710indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
melatonin
[no description available]		2.1710acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
n-acetylserotonin
N-acetylserotonin : An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid.		2.1710acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
naphthalene
[no description available]		2.0210naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
naringenin
[no description available]		2.17104'-hydroxyflavanones;
trihydroxyflavanone
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'		2.0210ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
phenethylamine
phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.		2.4720alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
tryptamine
[no description available]		2.1710aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines		human metabolite;
mouse metabolite;
plant metabolite
epibatidine
[no description available]		3.5220alkaloid
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
[no description available]		2.1710catechin
hydroxyindoleacetic acid
(5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.		2.1710indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
5-methoxytryptamine
5-Methoxytryptamine: Serotonin derivative proposed as potentiator for hypnotics and sedatives.. 5-methoxytryptamine : A member of the class of tryptamines that is the methyl ether derivative of serotonin.		2.1710aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist
7,8-dihydroxyflavone
7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's.		2.1710dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
4',7-dihydroxyflavanone
[no description available]		2.17104'-hydroxyflavanones;
dihydroxyflavanone;
polyphenol		Brassica napus metabolite;
fungal xenobiotic metabolite
amphetamine
Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine.		2.0210primary amine
donepezil
Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.		2.110aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
harmaline
Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.		2.1710harmala alkaloidoneirogen
memantine
[no description available]		2.110adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
octopamine
Octopamine: An alpha-adrenergic sympathomimetic amine, biosynthesized from tyramine in the CNS and platelets and also in invertebrate nervous systems. It is used to treat hypotension and as a cardiotonic. The natural D(-) form is more potent than the L(+) form in producing cardiovascular adrenergic responses. It is also a neurotransmitter in some invertebrates.. octopamine : A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.		2.1710phenylethanolamines;
tyramines		neurotransmitter
4-dichlorobenzene
dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4.		2.0210dichlorobenzeneinsecticide
tyramine
[no description available]		2.1710monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
n-methyltryptamine
N-methyltryptamine: RN given refers to parent cpd		2.1710tryptamine alkaloid;
tryptamines		metabolite
gramine
gramine : An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3.		2.1710aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
1-methylnaphthalene
1-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 1.		2.0210methylnaphthalenecarcinogenic agent;
plant metabolite
1-chloronaphthalene
1-chloronaphthalene: word preservative; in xylamon the active ingredient is 60% 1-chloronaphthalene; structure in Merck Index, 9th ed, #2126		2.0210
1-naphthol
1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.		2.0210naphtholgenotoxin;
human xenobiotic metabolite
2-methylnaphthalene
2-methylnaphthalene: RN given refers to parent cpd. 2-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 2.		2.0210methylnaphthalene
2-chloronaphthalene
2-chloronaphthalene: structure in first source		2.0210
2-methylquinoline
2-methylquinoline: RN given refers to parent cpd. methylquinoline : Any member of the class of quinolines carrying at least one methyl substituent.. quinaldine : A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group.		2.0210quinolines
2-methoxynaphthalene
[no description available]		2.0210naphthalenes
4-methylbenzaldehyde
p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position.		2.0210tolualdehydeplant metabolite
1,4-dibromobenzene
[no description available]		2.0210dibromobenzene
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.		2.0210naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
yohimbine
Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.		2.1710methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
galantamine
Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.		2.110benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
methyl-4-tyramine
methyl-4-tyramine: found in barley malt; RN given refers to parent cpd; structure given in first source		2.1710tyraminesmouse metabolite
cytisine
[no description available]		2.0110alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
1,2-dimethylnaphthalene
1,2-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 1 and 2.. dimethylnaphthalene : Any member of the class of naphthalenes carrying two methyl groups at unspecified positions.		2.0210dimethylnaphthalene
1,6-dimethylnaphthalene
1,6-dimethylnaphthalene: structure in first source		2.0210dimethylnaphthalene
2,6-dimethylnaphthalene
2,6-dimethylnaphthalene: RN given refers to parent cpd. 2,6-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 2 and 6.		2.0210dimethylnaphthaleneenvironmental contaminant
n-methylphenethylamine
N-methylphenethylamine: substrate for type A & B monoamine oxidase; RN given refers to parent cpd		2.1710
3-methylquinoline
[no description available]		2.0210methylquinolinexenobiotic
2,6-dimethylquinoline
2,6-dimethylquinoline: from roots of Peucedanum praeruptorum II		2.0210
1-methylisoquinoline
1-methylisoquinoline : An isoquinoline substituted by a methyl group at position 1.		2.0210isoquinolines
4-chlorobiphenyl
4-chlorobiphenyl : A monochlorobiphenyl carrying a chloro substituent at position 4.		2.0210monochlorobiphenyl
tabersonine
[no description available]		2.1710alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite
4-anisaldehyde
4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.		2.0210benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
betulinic acid
[no description available]		2.1710hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent. 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.		2.1710gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
beta-tetralone
[no description available]		2.0210
2,6-dihydroxypyridine
2,6-dihydroxypyridine: inhibits dihydropyrimidine dehydrogenase		2.0210dihydroxypyridine
maslinic acid
(2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoria		2.1710dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
rivastigmine
[no description available]		2.110carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
nicotine
(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.		4.61803-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
quindoline
quindoline: a fused indole-quinoline alkaloid from CRYPTOLEPIS sanguinolenta; structure		2.1710
tryptoline
tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure		2.1710beta-carbolines
pumiliotoxin c
pumiliotoxin C: isolated from skin of Dendrobates pumilio (frog); see also records for pumiliotoxin A, pumiliotoxin B & pumiliotoxins		2.1710
3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole
3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole: structure in first source		2.3920
diazaquinomycin a
diazaquinomycin A: structure given in first source		2.1710quinolone
fraxinellone
fraxinellone: structure given in first source; RN given for (3R-cis)-isomer		2.17102-benzofurans
glabridin
[no description available]		2.1710hydroxyisoflavansantiplasmodial drug
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene: structure given in first source		2.1710monoterpenoid;
organobromine compound;
organochlorine compound		algal metabolite;
antineoplastic agent;
marine metabolite
deferrioxamine e
deferrioxamine E: may act as siderophore in Streptomyces. desferrioxamine E : A cyclic hydroxamic acid siderophore that is produced by several bacterial species and exhibits antitumour activity.		2.1710cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle		antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore
4'-hydroxyflavanone
4'-hydroxyflavanone: structure in first source. 4'-hydroxyflavanones : Any hydroxyflavanone having a hydroxy substituent located at position 4'.		2.17104'-hydroxyflavanones;
monohydroxyflavanone
2-chlorobiphenyl
2-chlorobiphenyl: RN from Toxlit. 2-chlorobiphenyl : A monochlorobiphenyl carrying a single chloro substituent at position 2.. monochlorobiphenyl : A chlorobiphenyl carrying a single chloro substituent at unspecified position.. chlorobiphenyl : A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups.		2.0210monochlorobiphenyl
lupeol
[no description available]		2.1710pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory drug;
plant metabolite
crinine
crinine: structure in first source		2.1710alkaloid
strychnine
Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.. strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.		2.1710monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
micheliolide
micheliolide: has antineoplastic activity; structure in first source		2.1710sesquiterpene lactone
pancracine
pancracine: structure in first source		2.1710isoquinoline alkaloid fundamental parent;
isoquinoline alkaloid
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.		2.1710ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
piperine
piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.		2.1710benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
trichodermamide b
trichodermamide B: from cultures of the marine-derived fungus Trichoderma virens; structure in first source		2.1710
cotinine
Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.		2.4620N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
epibatidine
[no description available]		3.8130
helvolic acid
helvolic acid: structure. helvolic acid : A steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24.		2.17103-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin
mitragynine
[no description available]		2.1710monoterpenoid indole alkaloid
paynantheine
paynantheine: structure in first source		2.1710
chimonanthine
chimonanthine: structure in first source. chimonanthine : A ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'.		2.1710chimonanthine
3-deoxyisoochracinic acid
3-deoxyisoochracinic acid: structure in first source		2.1710
luteolin-7-glucoside
luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum. luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.		2.1710beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.		2.1710disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
harmine
Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.		2.1710harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
baicalein
[no description available]		2.1710trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
fisetin
[no description available]		2.17103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
wogonin
wogonin: structure in first source. wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8.		2.1710dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
cytochalasin b
Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.. cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments.		2.1710cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
kaempferol 3-o-rhamnoside
kaempferol 3-O-rhamnoside: from apple (Malus domestica) leaves; structure in first source. afzelin : A glycosyloxyflavone that is kaempferol attached to an alpha-L-rhamnosyl residue at position 3 via a glycosidic linkage.		2.1710glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		anti-inflammatory agent;
antibacterial agent;
plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one: isolated from the Chinese herb Scutellariae radix. oroxylin A : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6.		2.1710dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
radicinin
radicinin: mold metabolite from plant pathogen Stemphylium radicinum; RN given refers to (2S-(2alpha,3beta,7E))-isomer; structure		2.1710aromatic ketone
calycanthine
calycanthine: the principal alkaloid of the plant family Calycanthaceae; RN given refers to (4bS)-(4balpha,5alpha,10balpha,11alpha)-isomer. calycanthine : The principal alkaloid of the plant family Calycanthaceae.		2.1710aminal;
calycanthaceous alkaloid;
organonitrogen heterocyclic compound
xanthoepocin
Xanthoepocin: an antibiotic from Penicillium simplicissimum IFO5762; structure in first source		2.1710
herboxidiene
herboxidiene: structure in first source; isolated from Streptomyces chromofuscus; a potent and selective herbicide (e.g. inactive against wheat); up-regulates the gene expression of LDL receptor		2.1710
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
[no description available]		2.1710germacranolide
panduratin a
panduratin A: isolated from Kaempferia pandurata; structure in first source		2.1710diarylheptanoidmetabolite
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
[no description available]		2.1710oligopeptide
13-epi-sclareol
13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source		2.1710
deschloroepibatidine
deschloroepibatidine: structure in first source		3.1210
akuammicine
akuammicine: from Strychnos sp;; structure in first source. akuammicine : A monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major.		2.1710methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
hermitamide b
hermitamide B: isolated from Lyngbya majuscula; structure in first source		2.1710
trans-delta-tocotrienoloic acid
tocotrienoloic acid: from leaves of Tovomitopsis psychotriifolia; structure given in first source		2.1710tocotrienol
nodulisporic acid a
nodulisporic acid A: a novel indole diterpene insecticide; structure in first source		2.1710
n-methylepibatidine
N-methylepibatidine: structure in first source		3.1210
scopadulcic acid b
scopadulcic acid B: isolated from Scorparia dulcis		2.1710
gliocladin c
gliocladin C: structure in first source		2.1710
zincophorin
zincophorin: 25 carbon polypropionate from Streptomyces griseus; griseochelin and M 144255 are the same monocarboxylic acid ionophore		2.1710pyransbacterial metabolite;
ionophore
streptazolin
streptazolin: from culture of Streptomyces sp.; structure in first source		2.1710
chatancin
chatancin: structure in first source		2.1710
morelloflavone
morelloflavone: also inhibits cruzain; RN given for (2S-trans)-isomer; structure in first source. (+)-morelloflavone : A biflavonoid found in Rheedia edulis and Garcinia livingstonei.		2.1710biflavonoid;
hydroxyflavanone;
hydroxyflavone		plant metabolite
cinnamosmolide
cinnamosmolide: isolated from several species of Canellaceae family; structure in first source		2.1710
15-deoxygoyazensolide
15-deoxygoyazensolide: an NSAID with schistossomicidal and trypanosomicidal activities; structure in first source		2.1710
mitragynine
speciogynine: structure in first source		2.1710
spongia-13(16),14-dien-19-oic acid
spongia-13(16),14-dien-19-oic acid : A tetracyclic diterpenoid that is 3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan substituted by methyl groups at positions 3b, 6 and 9 and a carboxy group at position 6. Isolated from Spongia, it exhibits inhibitory activity against androgen receptor.		2.1710cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite
roquefortine
[no description available]		2.1710pyrroloindole
3-(3,4-dihydroxyphenyl)lactate
3-(3,4-dihydroxyphenyl)lactate : A hydroxy monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)lactic acid; major species at pH 7.3.		2.1710hydroxy monocarboxylic acid anion
marinopyrrole a
marinopyrrole A: antibiotic from a marine Streptomyces sp.; structure in first source. (-)-marinopyrrole A : A member of the class of pyrroles that is 1'H-1,3'-bipyrrole substituted by four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moieties at positions 2 and 2'. It is isolated from Streptomyces sp.CNQ-418 and exhibits cytotoxic and antibacterial activities.		2.1710aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite
colletoic acid
colletoic acid: an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor from Colletotrichum gloeosporioides; structure in first source		2.1710
ipomoeassin f
ipomoeassin F: a cytotoxic macrocyclic glycoresin from the leaves of Ipomoea squamosa from the Suriname rainforest		2.1710
6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-9-(2-methylpropyl)-9h-xanthene-1,3-dione
[no description available]		2.1710xanthenes
7-hydroxymitragynine
7-hydroxymitragynine: an orally active opioid analgesic from the Thai medicinal herb Mitragyna speciosa; structure in first source		2.1710alkaloid
dorrigocin b
dorrigocin B: isolated from the fermentation broth & mycelium of Streptomyces platensis; structure given in first source		2.1710
dorrigocin a
dorrigocin A: isolated from the fermentation broth & mycelium of Streptomyces platensis; structure given in first source		2.1710
tatanan a
tatanan A: from the rhizomes of Acorus tatarinowii Schott; structure in first source		2.1710
ilicicolin h
ilicicolin H: structure in first source. ilicicolin H : An aromatic ketone in which the ketone carbonyl group is attached to a (1R,2R,4aS,7S,8aR)-4,7-dimethyl-1-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl group and a 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1,2-dihydropyridin-3-yl group. Isolated from the from the "imperfect" fungus Cylindrocladium iliciola strain MFC-870.		2.1710aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone		antimicrobial agent;
mitochondrial respiratory-chain inhibitor
tatanan b
tatanan B: from the rhizomes of Acorus tatarinowii Schott; structure in first source		2.1710
gracilioether f
gracilioether F: structure in first source		2.1710
cryptocaryol a
cryptocaryol A: from Cryptocarya spp.; structure in first source. cryptocaryol A : A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 2,4,6,8,10-pentahydroxypentacosyl group at position 6. It has been isolated from Cryptocarya species.		2.17102-pyranones;
pentol		plant metabolite
imidacloprid
(E)-imidacloprid : The E-isomer of imidacloprid.		2.0110imidacloprid;
imidazolidines;
monochloropyridine		environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
tetrahydroamentoflavone
tetrahydroamentoflavone: isolated from Semecarpus anacardium; structure in first source		2.1710
nataxazole
nataxazole: has antineoplastic activity; isolated from Streptomyces; structure in first source		2.1710
ConditionIndicatedRelationship StrengthStudiesTrials
Acute Confusional Senile Dementia
[description not available]		02.110
Alzheimer Disease
A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)		02.110
Congenital Zika Syndrome
[description not available]		02.2510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.2510
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510