(14S,27R)-33-methoxy-28-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaen-22-ol
| Internal ID | 0a8a0dc0-6dc3-4279-94ee-adfea0c0ce78 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (14S,27R)-33-methoxy-28-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaen-22-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6C7=C(O3)C8=C(C=C7CCN6)OCO8)C=C5)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)O)OC5=CC=C(C[C@H]6C7=C(O3)C8=C(C=C7CCN6)OCO8)C=C5)OC |
| InChI | InChI=1S/C35H34N2O6/c1-37-12-10-22-16-30(39-2)31-18-25(22)27(37)14-21-5-8-28(38)29(15-21)42-24-6-3-20(4-7-24)13-26-33-23(9-11-36-26)17-32-34(35(33)43-31)41-19-40-32/h3-8,15-18,26-27,36,38H,9-14,19H2,1-2H3/t26-,27+/m0/s1 |
| InChI Key | ZGKKLLGULXJOPV-RRPNLBNLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H34N2O6 |
| Molecular Weight | 578.70 g/mol |
| Exact Mass | 578.24168681 g/mol |
| Topological Polar Surface Area (TPSA) | 81.60 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (14S,27R)-33-methoxy-28-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaen-22-ol](https://plantaedb.com/storage/docs/compounds/2023/11/57092470-823c-11ee-bfd0-870439a3dd00.jpg "2D Structure of (14S,27R)-33-methoxy-28-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaen-22-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 | 99.31% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.94% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.90% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.52% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.11% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.49% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 93.06% | 91.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.74% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.42% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.04% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.04% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.89% | 97.09% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.98% | 90.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.82% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.71% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.37% | 92.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.22% | 95.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.76% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.67% | 92.94% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.22% | 82.67% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.54% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.95% | 90.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.87% | 82.38% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.77% | 80.78% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.58% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.50% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.10% | 86.33% |
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 | 102066923 |
| LOTUS | LTS0248927 |
| wikiData | Q105375274 |