(1R,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
| Internal ID | a08affd2-7e24-4bfd-bc76-4037c9527030 |
| Taxonomy | Benzenoids > Dibenzocycloheptenes |
| IUPAC Name | (1R,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene |
| SMILES (Canonical) | CN1CC2C3=CC4=C(C=C3CC1C5=CC(=C(C=C25)OC)OC)OCO4 |
| SMILES (Isomeric) | CN1C[C@@H]2C3=CC4=C(C=C3C[C@H]1C5=CC(=C(C=C25)OC)OC)OCO4 |
| InChI | InChI=1S/C20H21NO4/c1-21-9-15-12-6-20-19(24-10-25-20)5-11(12)4-16(21)14-8-18(23-3)17(22-2)7-13(14)15/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1 |
| InChI Key | JAMSSQRMJLGLRL-CVEARBPZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (1R,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/b3654510-86a6-11ee-8310-cd492ecc3887.jpg "2D Structure of (1R,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene")
| 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 | 97.92% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.75% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.36% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.91% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.73% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.09% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.70% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.61% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.08% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.05% | 96.86% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.30% | 82.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.63% | 93.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.58% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.81% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.56% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.34% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.68% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.98% | 91.00% |
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.
| Roemeria refracta |
| PubChem | 12442695 |
| LOTUS | LTS0217666 |
| wikiData | Q105123866 |