13,27-Dimethoxy-7-methyl-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-16-ol
| Internal ID | d723b293-898a-406c-991e-24fc405ad679 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 13,27-dimethoxy-7-methyl-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-16-ol |
| SMILES (Canonical) | CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)O |
| SMILES (Isomeric) | CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)O |
| InChI | InChI=1S/C35H34N2O5/c1-37-11-9-21-16-30-31-18-23(21)27(37)15-20-5-7-29(39-2)25(13-20)24-12-19(4-6-28(24)38)14-26-33-22(8-10-36-26)17-32(40-3)34(41-30)35(33)42-31/h4-7,12-13,16-18,26-27,36,38H,8-11,14-15H2,1-3H3 |
| InChI Key | VOZOWMIDQQORRL-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) | 72.40 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 13,27-Dimethoxy-7-methyl-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-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/f9e90c70-858a-11ee-b1a5-ede92a6d4dfd.jpg "2D Structure of 13,27-Dimethoxy-7-methyl-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-16-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 | 99.32% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.52% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.29% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.90% | 95.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.09% | 91.49% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.49% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.02% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.05% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.83% | 90.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.58% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.56% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.44% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.40% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.27% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.24% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.23% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.48% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.75% | 80.78% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.52% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.92% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.69% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.74% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.58% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.52% | 83.82% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.76% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.66% | 99.23% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.25% | 95.78% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.56% | 96.38% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.39% | 97.21% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.43% | 88.48% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.31% | 97.31% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.19% | 89.50% |
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 funifera |
| PubChem | 162909779 |
| LOTUS | LTS0127431 |
| wikiData | Q105290595 |