calotropin: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 16142 |
| CHEMBL ID | 495949 |
| CHEBI ID | 3329 |
| SCHEMBL ID | 868547 |
| MeSH ID | M0542745 |
| Synonym |
|---|
| card-20(22)-enolide, 14-hydroxy-19-oxo-3,2-((tetrahydro-3,4-dihydroxy-6-methyl-2h-pyran-2,3-diyl)bis(oxy))-, (2alpha(2s,4s,6r),3beta,5alpha)- |
| calotropin |
| C08855 |
| 1986-70-5 |
| chebi:3329 , |
| CHEMBL495949 |
| 3xk21u1bzs , |
| unii-3xk21u1bzs |
| calotropin [mi] |
| (2.alpha.,3.beta.,5.alpha.)-14-hydroxy-19-oxo-2,3-(((2s,3s,4s,6r)-tetrahydro-3,4-dihydroxy-6-methyl-2h-pyran-3,2-diyl)bis(oxy))card-20(22)-enolide |
| card-20(22)-enolide, 14-hydroxy-19-oxo-2,3-(((2s,3s,4s,6r)-tetrahydro-3,4-dihydroxy-6-methyl-2h-pyran-3,2-diyl)bis(oxy))-, (2.alpha.,3.beta.,5.alpha.)- |
| SCHEMBL868547 |
| DTXSID10173613 |
| Q27106025 |
| bdbm50277173 |
| (1s,3r,5s,7r,9s,10s,12r,14r,15s,18r,19r,22s,23r)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde |
| Excerpt | Reference | Relevance |
|---|---|---|
| "This study revealed the ATP binding mode of KATNAL1 and identified calotropin as a potential lead molecule against it showing high binding efficiency with good bioavailability and no mutagenicity." | ( Molecular Modeling and Dynamics Simulation Analysis of KATNAL1 for Identification of Novel Inhibitor of Sperm Maturation. Bora, SS; Das, R; Das, S; Deb, B; Dehury, B; Dohutia, C; Modi, MK; Nath, S; Parida, P; Roychoudhury, S; Sarma, K, 2017) | 0.69 |
| Class | Description |
|---|---|
| cardenolide glycoside | Any member of the class of cardenolides with glycosyl residues attached to position 3. |
| [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 | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 | Homo sapiens (human) | IC50 (µMol) | 0.8000 | 0.8000 | 0.8000 | 0.8000 | AID1500975 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID403697 | Cytotoxicity against human MCF7 cells after 3 days by MTT assay | 2005 | Journal of natural products, Oct, Volume: 68, Issue:10 | Cytotoxic principles from the formosan milkweed, Asclepias curassavica. |
| AID1674393 | Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viability after 48 hrs by SRB assay | |||
| AID1674397 | Inhibition of porcine cerebral cortex Na+/K+-ATPase after 15 mins by ADP-Glo reagent based assay | |||
| AID1674396 | Selectivity index, ratio of IC50 for human MDA-MB-231 cells to IC50 for human BT-549 cells | |||
| AID403695 | Cytotoxicity against human A549 cells after 3 days by MTT assay | 2005 | Journal of natural products, Oct, Volume: 68, Issue:10 | Cytotoxic principles from the formosan milkweed, Asclepias curassavica. |
| AID403698 | Cytotoxicity against human HepG2 cells after 3 days by MTT assay | 2005 | Journal of natural products, Oct, Volume: 68, Issue:10 | Cytotoxic principles from the formosan milkweed, Asclepias curassavica. |
| AID1557488 | Antiproliferative activity against human DU145 cells assessed as reduction in viability after 48 hrs by MTTS assay | 2019 | Journal of natural products, 03-22, Volume: 82, Issue:3 | Potential Anticancer Agents Characterized from Selected Tropical Plants. |
| AID1674399 | Induction of intracellular Ca2+ concentration in human BT-549 cells at 150 nM after 2 hrs by Cal520-AM dye-based fluorescence assay relative to control | |||
| AID1674400 | Induction of intracellular Ca2+ concentration in human MDA-MB-231 cells at 150 nM after 2 hrs by Cal520-AM dye-based fluorescence assay | |||
| AID1674386 | Cytotoxicity against human BT-549 cells assessed as reduction in cell viability after 48 hrs by SRB assay | |||
| AID1654143 | Antiproliferative activity against human HeLa cells assessed as reduction in cell viability after 72 hrs by WST-8 assay | |||
| AID1500975 | Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycycline-induced NICD expression after 12 hrs by Bright-Glo luciferase reporter gene assay | 2017 | Journal of natural products, 09-22, Volume: 80, Issue:9 | Notch Inhibitors from Calotropis gigantea That Induce Neuronal Differentiation of Neural Stem Cells. |
| AID1674398 | Induction of intracellular Ca2+ concentration in human BT-549 cells at 150 to 500 nM after 3 hrs by Cal520-AM dye-based fluorescence assay | |||
| AID403696 | Cytotoxicity against human MDA-MB-231 cells after 3 days by MTT assay | 2005 | Journal of natural products, Oct, Volume: 68, Issue:10 | Cytotoxic principles from the formosan milkweed, Asclepias curassavica. |
| AID403699 | Cytotoxicity against human KB cells | 2005 | Journal of natural products, Oct, Volume: 68, Issue:10 | Cytotoxic principles from the formosan milkweed, Asclepias curassavica. |
| AID418024 | Cytotoxicity against human Raji cells by MTT assay | 2009 | Bioorganic & medicinal chemistry letters, Apr-01, Volume: 19, Issue:7 | Cytotoxicity of cardenolides and cardenolide glycosides from Asclepias curassavica. |
| AID1674387 | Cytotoxicity against human Hs-578T cells assessed as reduction in cell viability after 48 hrs by SRB assay | |||
| AID378431 | Cytotoxicity against human KB cells by SRB assay | 2006 | Journal of natural products, Aug, Volume: 69, Issue:8 | 19-Nor- and 18,20-epoxy-cardenolides from the leaves of Calotropis gigantea. |
| AID378432 | Cytotoxicity against human BC cells by SRB assay | 2006 | Journal of natural products, Aug, Volume: 69, Issue:8 | 19-Nor- and 18,20-epoxy-cardenolides from the leaves of Calotropis gigantea. |
| AID1500979 | Effect on gamma-secretase activity in human LS174T cells harboring mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) after 12 hrs by Western blot analysis | 2017 | Journal of natural products, 09-22, Volume: 80, Issue:9 | Notch Inhibitors from Calotropis gigantea That Induce Neuronal Differentiation of Neural Stem Cells. |
| AID378437 | Antimalarial activity after 48 hrs against multidrug-resistant Plasmodium falciparum K1 | 2006 | Journal of natural products, Aug, Volume: 69, Issue:8 | 19-Nor- and 18,20-epoxy-cardenolides from the leaves of Calotropis gigantea. |
| AID418023 | Cytotoxicity against human HepG2 cells by MTT assay | 2009 | Bioorganic & medicinal chemistry letters, Apr-01, Volume: 19, Issue:7 | Cytotoxicity of cardenolides and cardenolide glycosides from Asclepias curassavica. |
| AID1654142 | Antiproliferative activity against human PANC1 cells assessed as reduction in cell viability after 72 hrs by WST-8 assay | |||
| AID378433 | Cytotoxicity against human NCI-H187 cells by SRB assay | 2006 | Journal of natural products, Aug, Volume: 69, Issue:8 | 19-Nor- and 18,20-epoxy-cardenolides from the leaves of Calotropis gigantea. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 1 (5.26) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 4 (21.05) | 29.6817 |
| 2010's | 10 (52.63) | 24.3611 |
| 2020's | 4 (21.05) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
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 strong demand-to-supply ratio for research on this compound.
| This Compound (35.54) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (5.26%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 18 (94.74%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||