13,27-Dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene
| Internal ID | c85a62af-e6c7-492c-9c31-eef09e81ed9e |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene |
| SMILES (Canonical) | COC1=C2C=C(CC3=NCCC4=CC5=C(C=C43)OC6=C7C(CC8=CC=C(O2)C=C8)NCCC7=CC(=C6O5)OC)C=C1 |
| SMILES (Isomeric) | COC1=C2C=C(CC3=NCCC4=CC5=C(C=C43)OC6=C7C(CC8=CC=C(O2)C=C8)NCCC7=CC(=C6O5)OC)C=C1 |
| InChI | InChI=1S/C34H30N2O5/c1-37-27-8-5-20-14-25-24-18-30-29(16-21(24)9-11-35-25)40-33-31(38-2)17-22-10-12-36-26(32(22)34(33)41-30)13-19-3-6-23(7-4-19)39-28(27)15-20/h3-8,15-18,26,36H,9-14H2,1-2H3 |
| InChI Key | NWXSEPYUXLWBAU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H30N2O5 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.21547206 g/mol |
| Topological Polar Surface Area (TPSA) | 70.50 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 13,27-Dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene](https://plantaedb.com/storage/docs/compounds/2023/11/8aa9aa30-861b-11ee-87f9-4f1149749eac.jpg "2D Structure of 13,27-Dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene")
| 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 | 98.75% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 96.91% | 96.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.42% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.75% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.44% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.63% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.33% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.39% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.11% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.81% | 91.11% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.81% | 95.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.99% | 94.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.75% | 97.53% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.63% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.76% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.12% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.10% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.35% | 99.23% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.29% | 90.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.68% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.33% | 92.62% |
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.
| Cocculus pendulus |
| PubChem | 75069292 |
| LOTUS | LTS0201017 |
| wikiData | Q105186852 |