15-Hydroxy-13-methoxy-3,15-dimethyl-6-(6-methylhepta-3,5-dien-2-yl)-12-azatetracyclo[8.5.1.03,7.013,16]hexadeca-7,9-dien-11-one
| Internal ID | 9f93f738-5e04-4e48-8639-6cdc0e26954b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 15-hydroxy-13-methoxy-3,15-dimethyl-6-(6-methylhepta-3,5-dien-2-yl)-12-azatetracyclo[8.5.1.03,7.013,16]hexadeca-7,9-dien-11-one |
| SMILES (Canonical) | CC(C=CC=C(C)C)C1CCC2(C1=CC=C3C4C(C2)C(CC4(NC3=O)OC)(C)O)C |
| SMILES (Isomeric) | CC(C=CC=C(C)C)C1CCC2(C1=CC=C3C4C(C2)C(CC4(NC3=O)OC)(C)O)C |
| InChI | InChI=1S/C26H37NO3/c1-16(2)8-7-9-17(3)18-12-13-24(4)14-21-22-19(10-11-20(18)24)23(28)27-26(22,30-6)15-25(21,5)29/h7-11,17-18,21-22,29H,12-15H2,1-6H3,(H,27,28) |
| InChI Key | IEOHVPIKTTWVQR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H37NO3 |
| Molecular Weight | 411.60 g/mol |
| Exact Mass | 411.27734404 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 15-Hydroxy-13-methoxy-3,15-dimethyl-6-(6-methylhepta-3,5-dien-2-yl)-12-azatetracyclo[8.5.1.03,7.013,16]hexadeca-7,9-dien-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/635ff2b0-870f-11ee-a3b2-a7a1aa1829db.jpg "2D Structure of 15-Hydroxy-13-methoxy-3,15-dimethyl-6-(6-methylhepta-3,5-dien-2-yl)-12-azatetracyclo[8.5.1.03,7.013,16]hexadeca-7,9-dien-11-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.80% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.47% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.41% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.10% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.07% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.99% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.29% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.06% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.24% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.04% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.19% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.63% | 93.03% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.92% | 95.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.59% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.95% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.60% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.03% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.68% | 91.07% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.03% | 93.04% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.00% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.97% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.47% | 89.34% |
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.
| There are no matching plants. |
| PubChem | 163025018 |
| LOTUS | LTS0135827 |
| wikiData | Q104168715 |