(10S,23R)-18,28,29,36-tetramethoxy-9-methyl-2,16-dioxa-9,24-diazaheptacyclo[21.6.2.23,6.212,15.117,21.05,10.027,31]hexatriaconta-1(29),3(36),4,6(35),12(34),13,15(33),17,19,21(32),27,30-dodecaene
| Internal ID | 29bf5e1d-1077-4ce1-898f-c862f3e7a708 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (10S,23R)-18,28,29,36-tetramethoxy-9-methyl-2,16-dioxa-9,24-diazaheptacyclo[21.6.2.23,6.212,15.117,21.05,10.027,31]hexatriaconta-1(29),3(36),4,6(35),12(34),13,15(33),17,19,21(32),27,30-dodecaene |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CCN6)OC)OC)O3)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C(=C7CCN6)OC)OC)O3)OC)OC |
| InChI | InChI=1S/C37H40N2O6/c1-39-15-13-24-19-32(41-3)34-20-27(24)30(39)17-22-6-9-25(10-7-22)44-33-18-23(8-11-31(33)40-2)16-29-28-21-35(45-34)37(43-5)36(42-4)26(28)12-14-38-29/h6-11,18-21,29-30,38H,12-17H2,1-5H3/t29-,30+/m1/s1 |
| InChI Key | JCFIAYCIDFJIRS-IHLOFXLRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H40N2O6 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 70.60 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (10S,23R)-18,28,29,36-tetramethoxy-9-methyl-2,16-dioxa-9,24-diazaheptacyclo[21.6.2.23,6.212,15.117,21.05,10.027,31]hexatriaconta-1(29),3(36),4,6(35),12(34),13,15(33),17,19,21(32),27,30-dodecaene](https://plantaedb.com/storage/docs/compounds/2023/11/acbe82c0-8581-11ee-b6a4-919c555bc783.jpg "2D Structure of (10S,23R)-18,28,29,36-tetramethoxy-9-methyl-2,16-dioxa-9,24-diazaheptacyclo[21.6.2.23,6.212,15.117,21.05,10.027,31]hexatriaconta-1(29),3(36),4,6(35),12(34),13,15(33),17,19,21(32),27,30-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 | 99.27% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.88% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.43% | 93.99% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 93.47% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.39% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.35% | 97.25% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.33% | 92.98% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.80% | 95.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.29% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.75% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.28% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.70% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.69% | 85.14% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.34% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.19% | 94.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.18% | 90.95% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.73% | 97.31% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.72% | 96.77% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.44% | 95.78% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.53% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.31% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.69% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.60% | 90.00% |
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.
| Stephania cephalantha |
| Stephania pierrei |
| PubChem | 163104527 |
| LOTUS | LTS0249125 |
| wikiData | Q105124769 |