Ncgc00385306-01_C21H23NO5_
| Internal ID | 2335f270-b7d4-4c3d-b02d-522d16a49e50 |
| Taxonomy | Organoheterocyclic compounds > Benzazepines |
| IUPAC Name | 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-hexaen-15-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C3(C1C4=C(C3)C=CC5=C4OCO5)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2C3(C1C4=C(C3)C=CC5=C4OCO5)OC)O)OC |
| InChI | InChI=1S/C21H23NO5/c1-22-7-6-12-8-17(24-2)15(23)9-14(12)21(25-3)10-13-4-5-16-19(27-11-26-16)18(13)20(21)22/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3 |
| InChI Key | UVACAWVKXUAPRQ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H23NO5 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.50 |
| NCGC00385306-01_C21H23NO5_ |
| 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 | 99.01% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.55% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.96% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.52% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.31% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.76% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.52% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.67% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.26% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.29% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.15% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.96% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.66% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.39% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.92% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.47% | 91.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.40% | 89.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.01% | 82.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.79% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.33% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.00% | 91.49% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.99% | 100.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.67% | 90.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.21% | 91.79% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.44% | 95.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.28% | 99.15% |
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 |
| Fumaria rostellata |
| PubChem | 75528888 |
| LOTUS | LTS0057270 |
| wikiData | Q105279703 |