(1R,2S,15R,17R)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione
| Internal ID | c21312f3-4532-4fad-ad4c-8d8644cdc5bb |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (1R,2S,15R,17R)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione |
| SMILES (Canonical) | CC1(C2C(CC3(CC2C4=C(O3)C5=CC=CC=C5N(C4=O)C)C)C6=C(O1)C7=CC=CC=C7N(C6=O)C)C |
| SMILES (Isomeric) | C[C@@]12C[C@H]([C@@H]3[C@@H](C1)C4=C(C5=CC=CC=C5N(C4=O)C)OC3(C)C)C6=C(O2)C7=CC=CC=C7N(C6=O)C |
| InChI | InChI=1S/C30H30N2O4/c1-29(2)24-18(22-25(35-29)16-10-6-8-12-20(16)31(4)27(22)33)14-30(3)15-19(24)23-26(36-30)17-11-7-9-13-21(17)32(5)28(23)34/h6-13,18-19,24H,14-15H2,1-5H3/t18-,19-,24-,30-/m0/s1 |
| InChI Key | DUHDIWSVGBLULV-GUENQFDYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H30N2O4 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.22055744 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1R,2S,15R,17R)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4a903180-882c-11ee-949e-4f07f089b65d.jpg "2D Structure of (1R,2S,15R,17R)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.31% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.06% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.72% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.30% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.52% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.32% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.50% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.83% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.77% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.96% | 85.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.18% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.81% | 94.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.59% | 80.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.42% | 86.33% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.61% | 98.46% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.11% | 97.14% |
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.
| Euxylophora paraensis |
| PubChem | 14378598 |
| LOTUS | LTS0152043 |
| wikiData | Q104989229 |