6,9-Dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one
| Internal ID | 6a4bf76e-4c9f-410b-af27-b9bb5f52c8b6 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC2=C(C=C5)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC2=C(C=C5)O)O |
| InChI | InChI=1S/C25H27NO5/c1-30-22-9-7-18-20-14-17(13-16-4-2-3-11-26(16)20)31-23(28)10-6-15-5-8-21(27)19(12-15)24(18)25(22)29/h5-10,12,16-17,20,27,29H,2-4,11,13-14H2,1H3 |
| InChI Key | WBNJBVAHRALIOS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H27NO5 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 6,9-Dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/724e2ba0-86d7-11ee-ad3f-e9fe723c7807.jpg "2D Structure of 6,9-Dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.69% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.96% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.04% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.48% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.27% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.30% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.12% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.93% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.49% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.46% | 93.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.93% | 99.15% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.84% | 92.88% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 86.95% | 93.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.41% | 96.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.40% | 82.69% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.19% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.91% | 94.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.65% | 99.18% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.07% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.67% | 96.38% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.39% | 88.48% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.78% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.59% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.11% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.43% | 91.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.25% | 91.49% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.32% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.03% | 92.62% |
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.
| Decodon verticillatus |
| Heimia salicifolia |
| PubChem | 73799198 |
| LOTUS | LTS0173465 |
| wikiData | Q104251282 |