Tetraneurin D
| Internal ID | 56e90a8a-7cb3-47a8-ae41-d3348c78f83a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Ambrosanolides and secoambrosanolides |
| IUPAC Name | (6a,9-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9,9b-octahydroazuleno[4,5-b]furan-9a-yl)methyl acetate |
| SMILES (Canonical) | CC1CCC2C(C3(C1(CCC3O)O)COC(=O)C)OC(=O)C2=C |
| SMILES (Isomeric) | CC1CCC2C(C3(C1(CCC3O)O)COC(=O)C)OC(=O)C2=C |
| InChI | InChI=1S/C17H24O6/c1-9-4-5-12-10(2)15(20)23-14(12)16(8-22-11(3)18)13(19)6-7-17(9,16)21/h9,12-14,19,21H,2,4-8H2,1,3H3 |
| InChI Key | XSPCIKPRPSUGDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O6 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.00 |
| XSPCIKPRPSUGDN-UHFFFAOYSA-N |
| (6a,9-Dihydroxy-6-methyl-3-methylene-2-oxodecahydroazuleno[4,5-b]furan-9a(4H)-yl)methyl acetate # |
| 10.alpha.H-Ambros-11(13)-en-12-oic acid, 1,4.beta.,6.beta.,15-tetrahydroxy-, .gamma.-lactone, 15-acetate |
| Azuleno[4,5-b]furan-2(3H)-one, 9a-[(acetyloxy)methyl]decahydro-6a,9-dihydroxy-6-methyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9.beta.,9a.beta.,9b.alpha.)]- |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.48% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.17% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.93% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.38% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.94% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.22% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.48% | 98.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.82% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.38% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.38% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.77% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 80.63% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.15% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Parthenium fruticosum |
| Parthenium hysterophorus |
| PubChem | 579318 |
| LOTUS | LTS0133516 |
| wikiData | Q105341154 |