[5,8-Dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
| Internal ID | be38112b-7da2-4f22-a3ee-b56ea278df96 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [5,8-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H43NO8/c1-32-15-28(16-36-2)12-11-19(37-3)31-18-13-29(34)20(38-4)14-30(35,22(25(31)32)23(39-5)24(28)31)21(18)26(29)40-27(33)17-9-7-6-8-10-17/h6-10,18-26,34-35H,11-16H2,1-5H3 |
| InChI Key | BWXRTWZAFJTQJP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H43NO8 |
| Molecular Weight | 557.70 g/mol |
| Exact Mass | 557.29886733 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [5,8-Dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/f4dde6a0-85fe-11ee-a52a-85ed794ad6ed.jpg "2D Structure of [5,8-Dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate")
| 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 | 98.84% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.79% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.76% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.85% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.00% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.60% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.28% | 90.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 88.90% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 87.46% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.78% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.90% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.42% | 95.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.98% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.72% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.31% | 94.08% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 80.14% | 87.50% |
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.
| Delphinium staphisagria |
| PubChem | 14337198 |
| LOTUS | LTS0231192 |
| wikiData | Q104947762 |