7-Hydroxy-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione
| Internal ID | 690e5f94-5628-4c67-94da-88ab5025efa4 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 7-hydroxy-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione |
| SMILES (Canonical) | CC12CC(=O)OC3CCN4C3C(=CC4)COC(=O)C(O1)(C(C2)(C)O)C |
| SMILES (Isomeric) | CC12CC(=O)OC3CCN4C3C(=CC4)COC(=O)C(O1)(C(C2)(C)O)C |
| InChI | InChI=1S/C18H25NO6/c1-16-8-13(20)24-12-5-7-19-6-4-11(14(12)19)9-23-15(21)18(3,25-16)17(2,22)10-16/h4,12,14,22H,5-10H2,1-3H3 |
| InChI Key | GWTBIOYPNDRFRJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H25NO6 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 85.30 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d7e3ef40-854a-11ee-b269-95e1495a4658.jpg "2D Structure of 7-Hydroxy-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.25% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.23% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.16% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.31% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.86% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.07% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.86% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.72% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.57% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.19% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.97% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.81% | 93.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.80% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.34% | 96.43% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.09% | 96.77% |
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.
| Senecio bracteatus |
| Senecio roseus |
| PubChem | 85189099 |
| LOTUS | LTS0006395 |
| wikiData | Q105022722 |