9-Hydroxy-4,5-dimethoxy-16-oxa-23-azapentacyclo[15.7.1.18,12.02,7.018,23]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one
| Internal ID | f71a278b-a8e8-4430-a2d2-1d584f22d23a |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 9-hydroxy-4,5-dimethoxy-16-oxa-23-azapentacyclo[15.7.1.18,12.02,7.018,23]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3CC(C4CCCCN4C3)OC(=O)C=CC5=CC2=C(C=C5)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3CC(C4CCCCN4C3)OC(=O)C=CC5=CC2=C(C=C5)O)OC |
| InChI | InChI=1S/C26H29NO5/c1-30-24-13-18-17-12-23(21-5-3-4-10-27(21)15-17)32-26(29)9-7-16-6-8-22(28)20(11-16)19(18)14-25(24)31-2/h6-9,11,13-14,17,21,23,28H,3-5,10,12,15H2,1-2H3 |
| InChI Key | UBSAECZDGDZVCX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H29NO5 |
| Molecular Weight | 435.50 g/mol |
| Exact Mass | 435.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 9-Hydroxy-4,5-dimethoxy-16-oxa-23-azapentacyclo[15.7.1.18,12.02,7.018,23]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/a07620d0-86d0-11ee-9e48-f5753ccaf9c4.jpg "2D Structure of 9-Hydroxy-4,5-dimethoxy-16-oxa-23-azapentacyclo[15.7.1.18,12.02,7.018,23]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-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 |
|---|---|---|---|---|
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.89% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.89% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.15% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.29% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.17% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.63% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.47% | 85.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.40% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.20% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.94% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.74% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.73% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.92% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.40% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.18% | 91.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.86% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.73% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.67% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.36% | 99.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.85% | 89.62% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 83.49% | 97.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.32% | 94.78% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.99% | 96.21% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.26% | 92.88% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.19% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.06% | 82.67% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.33% | 95.53% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.61% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.61% | 91.19% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.53% | 82.38% |
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.
| Heimia salicifolia |
| PubChem | 4485531 |
| LOTUS | LTS0237269 |
| wikiData | Q104251275 |