(1R,12R)-12,16-dimethoxy-21-methyl-4,6-dioxa-21-azapentacyclo[10.9.0.02,10.03,7.013,18]henicosa-2(10),3(7),8,13,15,17-hexaene-1,15-diol
| Internal ID | a8b54f2d-9ea8-44e3-8924-08e7509050e8 |
| Taxonomy | Organoheterocyclic compounds > Benzazepines |
| IUPAC Name | (1R,12R)-12,16-dimethoxy-21-methyl-4,6-dioxa-21-azapentacyclo[10.9.0.02,10.03,7.013,18]henicosa-2(10),3(7),8,13,15,17-hexaene-1,15-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H23NO6/c1-22-7-6-12-8-17(25-2)15(23)9-14(12)20(26-3)10-13-4-5-16-19(28-11-27-16)18(13)21(20,22)24/h4-5,8-9,23-24H,6-7,10-11H2,1-3H3/t20-,21-/m1/s1 |
| InChI Key | CWHRUKMQFIQQNU-NHCUHLMSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H23NO6 |
| Molecular Weight | 385.40 g/mol |
| Exact Mass | 385.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 80.60 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,12R)-12,16-dimethoxy-21-methyl-4,6-dioxa-21-azapentacyclo[10.9.0.02,10.03,7.013,18]henicosa-2(10),3(7),8,13,15,17-hexaene-1,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/91b4f200-8611-11ee-aea6-df621a6fb736.jpg "2D Structure of (1R,12R)-12,16-dimethoxy-21-methyl-4,6-dioxa-21-azapentacyclo[10.9.0.02,10.03,7.013,18]henicosa-2(10),3(7),8,13,15,17-hexaene-1,15-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 | 98.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.35% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.53% | 96.77% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.05% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.97% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.14% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.01% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.33% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.17% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.94% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.60% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.90% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.75% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.21% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.56% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.75% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.64% | 90.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.33% | 92.94% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.15% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.05% | 95.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.85% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.02% | 100.00% |
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.
| Fumaria densiflora |
| PubChem | 163021383 |
| LOTUS | LTS0039652 |
| wikiData | Q104971282 |