2,3,23,23,25,25-Hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol
| Internal ID | 2ea74061-05ff-4c94-8e14-cf05f9bba8da |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H47NO4/c1-19(2)31-29(39)17-27-30(41-31)10-11-35(7)36(8)21(9-12-37(27,35)40)15-24-23-13-20-14-26-25(18-33(3,4)42-34(26,5)6)22(20)16-28(23)38-32(24)36/h13,16-18,21,26,29-31,38-40H,1,9-12,14-15H2,2-8H3 |
| InChI Key | HVLXXQDJGPKVMK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C37H47NO4 |
| Molecular Weight | 569.80 g/mol |
| Exact Mass | 569.35050898 g/mol |
| Topological Polar Surface Area (TPSA) | 74.70 Ų |
| XlogP | 5.00 |
| PF-1101-A, Janthitrem C |
| BS-1047 |
![2D Structure of 2,3,23,23,25,25-Hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol](https://plantaedb.com/storage/docs/compounds/2023/11/49cb2090-86b0-11ee-b188-0fdc5d2d7152.jpg "2D Structure of 2,3,23,23,25,25-Hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol")
| 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 | 99.14% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.86% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.02% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.43% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.98% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.89% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.83% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.46% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.42% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.11% | 94.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.16% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.87% | 93.04% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.63% | 97.28% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.08% | 91.79% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.96% | 80.96% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.30% | 96.00% |
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 | 10460648 |
| LOTUS | LTS0121268 |
| wikiData | Q105034340 |