(8S,21S)-16,26-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
| Internal ID | a7c1de02-1b8c-4861-9b97-36607da924d3 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (8S,21S)-16,26-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H36N2O5/c1-37-11-9-22-17-32-33-18-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-35-23(10-12-38(28)2)31(41-4)19-34(42-32)36(35)43-33/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28-/m0/s1 |
| InChI Key | OZRDZWNMHMHRQG-NSOVKSMOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H36N2O5 |
| Molecular Weight | 576.70 g/mol |
| Exact Mass | 576.26242225 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (8S,21S)-16,26-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8272dd40-859e-11ee-9fa2-c3921bc9d453.jpg "2D Structure of (8S,21S)-16,26-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol")
| 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 | 99.16% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.73% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.25% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.83% | 91.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.83% | 91.79% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.85% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.13% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.51% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.22% | 86.33% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.85% | 95.12% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.47% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.06% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.80% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.39% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.99% | 95.78% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.66% | 90.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.65% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.64% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.39% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.12% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.02% | 89.62% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 87.96% | 95.70% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.53% | 94.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.58% | 95.34% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.26% | 95.53% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 84.82% | 97.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.62% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.22% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.04% | 93.65% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.66% | 80.78% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.54% | 82.67% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.52% | 89.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.30% | 99.15% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 82.26% | 94.05% |
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.
| Tiliacora acuminata |
| PubChem | 14527214 |
| LOTUS | LTS0210015 |
| wikiData | Q105204050 |