5-Hydroxy tomencephalin
| Internal ID | 69370360-0994-4bff-9a87-a0c260450993 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (1S,2S,6R,7R,8R,12R,14S)-7,8-dihydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-4-one |
| SMILES (Canonical) | CC1=C2CC3C(C2C4C(C(C1O)O)C(=C)C(=O)O4)(O3)C |
| SMILES (Isomeric) | CC1=C2C[C@@H]3[C@]([C@@H]2[C@@H]4[C@@H]([C@H]([C@@H]1O)O)C(=C)C(=O)O4)(O3)C |
| InChI | InChI=1S/C15H18O5/c1-5-7-4-8-15(3,20-8)10(7)13-9(12(17)11(5)16)6(2)14(18)19-13/h8-13,16-17H,2,4H2,1,3H3/t8-,9-,10+,11-,12-,13+,15-/m1/s1 |
| InChI Key | VGKMHCUMIZVGGN-PTNXLTBZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O5 |
| Molecular Weight | 278.30 g/mol |
| Exact Mass | 278.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | -0.70 |
| CHEMBL519660 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.84% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.78% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.07% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.54% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.89% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.50% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.71% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.16% | 97.05% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.88% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.71% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.02% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.75% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.45% | 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.
| Montanoa tomentosa |
| PubChem | 44576198 |
| LOTUS | LTS0148366 |
| wikiData | Q105285858 |