26-Hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8,10(18),11(16),19,27-hexaene-17,29-dione
| Internal ID | 4e1623b3-b46a-4d7a-b2d4-2cc820621e86 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 26-hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8,10(18),11(16),19,27-hexaene-17,29-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H43NO6/c1-31(2)17-23-19-15-24-20(14-21(19)28(40)27(23)32(3,4)43-31)22-13-18-9-10-36(41)26-16-25(39)30-33(5,6)44-37(26,42-30)12-11-34(36,7)35(18,8)29(22)38-24/h14-16,18,30,38,41H,9-13,17H2,1-8H3 |
| InChI Key | CFYOQICWDLJMBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H43NO6 |
| Molecular Weight | 597.70 g/mol |
| Exact Mass | 597.30903809 g/mol |
| Topological Polar Surface Area (TPSA) | 97.90 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 26-Hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8,10(18),11(16),19,27-hexaene-17,29-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d7cc3220-85a1-11ee-8332-91717e311219.jpg "2D Structure of 26-Hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8,10(18),11(16),19,27-hexaene-17,29-dione")
| 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 | 99.36% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.23% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.49% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.95% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.85% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.65% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.52% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.73% | 93.40% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.72% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.58% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.40% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.07% | 94.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.74% | 92.98% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.64% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.35% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.47% | 97.28% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.44% | 97.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.42% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.14% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.79% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.99% | 96.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.66% | 98.59% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.11% | 97.31% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.01% | 93.03% |
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 | 162885922 |
| LOTUS | LTS0123576 |
| wikiData | Q105102487 |