17-Hydroxy-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
| Internal ID | 520e76c0-d4f5-435d-ad99-75135c31c4c4 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 17-hydroxy-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one |
| SMILES (Canonical) | COC1=C(C=CC2=C1C(=O)N3CCC4=CC5=C(C=C4C3=C2)OCO5)O |
| SMILES (Isomeric) | COC1=C(C=CC2=C1C(=O)N3CCC4=CC5=C(C=C4C3=C2)OCO5)O |
| InChI | InChI=1S/C19H15NO5/c1-23-18-14(21)3-2-11-6-13-12-8-16-15(24-9-25-16)7-10(12)4-5-20(13)19(22)17(11)18/h2-3,6-8,21H,4-5,9H2,1H3 |
| InChI Key | HDCHDCVIUNXQJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H15NO5 |
| Molecular Weight | 337.30 g/mol |
| Exact Mass | 337.09502258 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 17-Hydroxy-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/73c24ef0-8541-11ee-917e-df45f910f9f7.jpg "2D Structure of 17-Hydroxy-16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-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 | 98.08% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.61% | 96.77% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 97.20% | 80.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.22% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.64% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.57% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.31% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.40% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.34% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.94% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.82% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.54% | 93.99% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.01% | 82.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.16% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.93% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.16% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.04% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.60% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.72% | 94.45% |
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.
| Arcangelisia gusanlung |
| PubChem | 101923624 |
| LOTUS | LTS0137050 |
| wikiData | Q105026259 |