5,6-Dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one
| Internal ID | 9200801e-33f3-43cb-a381-d58e40735e6f |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 5,6-dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC=C(O2)C=C5)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC=C(O2)C=C5)OC |
| InChI | InChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3 |
| InChI Key | PXXNTAGJWPJAGM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H31NO5 |
| Molecular Weight | 437.50 g/mol |
| Exact Mass | 437.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 5,6-Dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one](https://plantaedb.com/storage/docs/compounds/2023/11/eecd7fe0-8709-11ee-9ddd-4541099c0c13.jpg "2D Structure of 5,6-Dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.83% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.50% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.26% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.47% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.21% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.18% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.22% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.09% | 90.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.86% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.15% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.13% | 97.25% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.89% | 94.78% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.84% | 93.04% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.07% | 99.18% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.76% | 90.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.80% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.59% | 97.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.85% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.52% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.24% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.18% | 93.99% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.08% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.85% | 99.23% |
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 |
| PubChem | 4485533 |
| LOTUS | LTS0244615 |
| wikiData | Q105216471 |