(1S)-20,25-dimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),14,16,18,20,22(33),24,26,31-tetradecaene-9,21-diol
| Internal ID | 02d14404-5080-41eb-963f-1cd414133f6e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | (1S)-20,25-dimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),14,16,18,20,22(33),24,26,31-tetradecaene-9,21-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6=NC=CC7=CC(=C(C(=C67)O3)O)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6=NC=CC7=CC(=C(C(=C67)O3)O)OC)O)OC |
| InChI | InChI=1S/C35H32N2O6/c1-37-13-11-22-17-30(40-2)31-19-25(22)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-33-23(10-12-36-26)18-32(41-3)34(39)35(33)43-31/h4-10,12,16-19,27,38-39H,11,13-15H2,1-3H3/t27-/m0/s1 |
| InChI Key | ZWGJUTHSSSKIEX-MHZLTWQESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H32N2O6 |
| Molecular Weight | 576.60 g/mol |
| Exact Mass | 576.22603674 g/mol |
| Topological Polar Surface Area (TPSA) | 93.50 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of (1S)-20,25-dimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),14,16,18,20,22(33),24,26,31-tetradecaene-9,21-diol](https://plantaedb.com/storage/docs/compounds/2023/11/0d956fb0-8555-11ee-a5bb-e17763b678d1.jpg "2D Structure of (1S)-20,25-dimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),14,16,18,20,22(33),24,26,31-tetradecaene-9,21-diol")
| 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 | 99.46% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.83% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.97% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.06% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.90% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.41% | 91.03% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 92.29% | 97.53% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.14% | 91.49% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.64% | 95.12% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.21% | 93.10% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.04% | 95.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.67% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.63% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.56% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.50% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.35% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.95% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.74% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.70% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.60% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.45% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.63% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.18% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.00% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.72% | 92.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.64% | 82.38% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.52% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.42% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.05% | 96.39% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.58% | 90.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.17% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.52% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.70% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.23% | 82.67% |
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.
| Dehaasia incrassata |
| Elaphoglossum spatulatum |
| Stephania pierrei |
| PubChem | 14262874 |
| LOTUS | LTS0240589 |
| wikiData | Q105220484 |