15,16,33,33-Tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-2,5,9,28-tetrol
| Internal ID | 222add31-12fd-4b9a-9d72-ecbc573f61d7 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-2,5,9,28-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H45NO7/c1-16(2)27-26(39)30-37(45-30)22(43-27)10-11-32(6)33(7)28-24-23-20(38-28)9-8-18-14-17(3)19-15-21(36(19,42)25(18)23)31(4,5)44-29(24)34(33,40)12-13-35(32,37)41/h8-9,19,21-22,26-27,29-30,38-42H,1,3,10-15H2,2,4-7H3 |
| InChI Key | CGFYFJZLBBHYDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H45NO7 |
| Molecular Weight | 615.80 g/mol |
| Exact Mass | 615.31960277 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 15,16,33,33-Tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-2,5,9,28-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/aaf43450-85d2-11ee-a5b1-41d5e98024fb.jpg "2D Structure of 15,16,33,33-Tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-2,5,9,28-tetrol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.82% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.49% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.87% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.83% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.81% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.55% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.71% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.87% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.11% | 91.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.90% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.42% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.40% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.33% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.22% | 95.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.55% | 82.69% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 85.29% | 92.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.86% | 95.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.38% | 91.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.04% | 99.23% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.79% | 97.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.98% | 97.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.90% | 93.99% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.62% | 88.56% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.57% | 97.31% |
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 | 162957821 |
| LOTUS | LTS0072614 |
| wikiData | Q103817717 |