(1S,2S,15R,17R)-3,3,17,26-tetramethyl-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 | 4d92a88e-1360-4ac7-801a-b9f173d5ac43 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (1S,2S,15R,17R)-3,3,17,26-tetramethyl-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=C7NC6=O)C |
| SMILES (Isomeric) | C[C@@]12C[C@@H]3[C@@H]([C@H](C1)C4=C(O2)C5=CC=CC=C5N(C4=O)C)C(OC6=C3C(=O)NC7=CC=CC=C76)(C)C |
| InChI | InChI=1S/C29H28N2O4/c1-28(2)23-17(21-24(34-28)15-9-5-7-11-19(15)30-26(21)32)13-29(3)14-18(23)22-25(35-29)16-10-6-8-12-20(16)31(4)27(22)33/h5-12,17-18,23H,13-14H2,1-4H3,(H,30,32)/t17-,18+,23-,29+/m0/s1 |
| InChI Key | TWTOZAQFMDPSKK-JJZWPKHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H28N2O4 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 67.90 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (1S,2S,15R,17R)-3,3,17,26-tetramethyl-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/2023/11/6b7e34e0-86e1-11ee-b2e3-6b9c99d11587.jpg "2D Structure of (1S,2S,15R,17R)-3,3,17,26-tetramethyl-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 |
|---|---|---|---|---|
| CHEMBL255 | P29275 | Adenosine A2b receptor | 99.21% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.54% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.66% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.86% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.66% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.92% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.51% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.42% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.97% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.96% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.50% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.66% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.32% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.01% | 93.40% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.57% | 85.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.49% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.46% | 97.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.62% | 92.67% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.37% | 85.11% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.24% | 96.39% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.02% | 94.78% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.54% | 98.46% |
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.
| Zanthoxylum integrifoliolum |
| PubChem | 162883650 |
| LOTUS | LTS0082674 |
| wikiData | Q105266101 |