13,27-Dimethoxy-7-methyl-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),10(37),11,13,16,18,25,27,32,35-dodecaene
| Internal ID | aa7cb177-dc64-4f88-85ca-0bc26d62ad21 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 13,27-dimethoxy-7-methyl-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),10(37),11,13,16,18,25,27,32,35-dodecaene |
| SMILES (Canonical) | CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
| SMILES (Isomeric) | CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6 |
| InChI | InChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3 |
| InChI Key | XZAXGQMTBGFTFE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H34N2O5 |
| Molecular Weight | 562.70 g/mol |
| Exact Mass | 562.24677219 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 13,27-Dimethoxy-7-methyl-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),10(37),11,13,16,18,25,27,32,35-dodecaene](https://plantaedb.com/storage/docs/compounds/2023/11/7503f0d0-84fc-11ee-969c-b172c7a57771.jpg "2D Structure of 13,27-Dimethoxy-7-methyl-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),10(37),11,13,16,18,25,27,32,35-dodecaene")
| 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 | 99.40% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.72% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.18% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.84% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.18% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.71% | 95.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 89.14% | 90.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.06% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.72% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.29% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.85% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.20% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.96% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.21% | 89.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.92% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.63% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.16% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.91% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.11% | 89.00% |
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.
| Cocculus laurifolius |
| Cryptomeria japonica |
| Stephania japonica |
| PubChem | 3423649 |
| LOTUS | LTS0221139 |
| wikiData | Q105344782 |