7-Hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one
| Internal ID | 7918d467-0919-4414-9d02-416b0aa7f7a9 |
| Taxonomy | Alkaloids and derivatives > Aristolactams |
| IUPAC Name | 7-hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one |
| SMILES (Canonical) | C1OC2=C(O1)C(=C3C4=C2C5=CC=CC=C5C=C4NC3=O)O |
| SMILES (Isomeric) | C1OC2=C(O1)C(=C3C4=C2C5=CC=CC=C5C=C4NC3=O)O |
| InChI | InChI=1S/C16H9NO4/c18-13-12-11-9(17-16(12)19)5-7-3-1-2-4-8(7)10(11)14-15(13)21-6-20-14/h1-5,18H,6H2,(H,17,19) |
| InChI Key | PLARLXZLKUBLOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H9NO4 |
| Molecular Weight | 279.25 g/mol |
| Exact Mass | 279.05315777 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/b3ff8390-85be-11ee-9341-d34894ebb2dd.jpg "2D Structure of 7-Hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.36% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.11% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.63% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.54% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.46% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.57% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.84% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.12% | 89.63% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 86.68% | 81.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.42% | 92.62% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 85.83% | 80.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.89% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.74% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.38% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.15% | 99.15% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.53% | 83.10% |
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.
| Magnolia compressa |
| PubChem | 163030136 |
| LOTUS | LTS0147382 |
| wikiData | Q105210801 |