(1R,2R,15S,17S)-9,10,23,24-tetramethoxy-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(11),7,9,19(28),20(25),21,23-octaene-13,27-dione
| Internal ID | 8f97b6cb-736f-4862-bd70-c698fd8b3cd7 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (1R,2R,15S,17S)-9,10,23,24-tetramethoxy-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(11),7,9,19(28),20(25),21,23-octaene-13,27-dione |
| SMILES (Canonical) | CC1(C2C(CC3(CC2C4=C(O3)C5=C(C(=C(C=C5)OC)OC)N(C4=O)C)C)C6=C(O1)C7=C(C(=C(C=C7)OC)OC)N(C6=O)C)C |
| SMILES (Isomeric) | C[C@]12C[C@H]([C@H]3[C@H](C1)C4=C(C5=C(C(=C(C=C5)OC)OC)N(C4=O)C)OC3(C)C)C6=C(O2)C7=C(C(=C(C=C7)OC)OC)N(C6=O)C |
| InChI | InChI=1S/C34H38N2O8/c1-33(2)24-18(22-27(43-33)16-10-12-20(39-6)29(41-8)25(16)35(4)31(22)37)14-34(3)15-19(24)23-28(44-34)17-11-13-21(40-7)30(42-9)26(17)36(5)32(23)38/h10-13,18-19,24H,14-15H2,1-9H3/t18-,19+,24-,34-/m1/s1 |
| InChI Key | ZWDLLXJCNOSALC-MVMAVUABSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H38N2O8 |
| Molecular Weight | 602.70 g/mol |
| Exact Mass | 602.26281617 g/mol |
| Topological Polar Surface Area (TPSA) | 96.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1R,2R,15S,17S)-9,10,23,24-tetramethoxy-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(11),7,9,19(28),20(25),21,23-octaene-13,27-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ceae4710-8578-11ee-928d-2fc17b46834d.jpg "2D Structure of (1R,2R,15S,17S)-9,10,23,24-tetramethoxy-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(11),7,9,19(28),20(25),21,23-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.44% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.92% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.12% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.05% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.72% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.22% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.02% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.42% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.75% | 98.95% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.65% | 95.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.62% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.74% | 91.11% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.76% | 94.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.36% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.24% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.00% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.76% | 98.59% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.99% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.57% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.20% | 89.62% |
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.
| Vepris louisii |
| PubChem | 21727636 |
| LOTUS | LTS0175070 |
| wikiData | Q105384838 |