5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-14,15-diol
Internal ID | 1c01a37f-372d-4367-9ea1-0d7a5608cf17 |
Taxonomy | Organoheterocyclic compounds > Benzazepines |
IUPAC Name | 5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-14,15-diol |
SMILES (Canonical) | C1C=C2C3CN(C2C(C1O)O)CC4=CC5=C(C=C34)OCO5 |
SMILES (Isomeric) | C1C=C2C3CN(C2C(C1O)O)CC4=CC5=C(C=C34)OCO5 |
InChI | InChI=1S/C16H17NO4/c18-12-2-1-9-11-6-17(15(9)16(12)19)5-8-3-13-14(4-10(8)11)21-7-20-13/h1,3-4,11-12,15-16,18-19H,2,5-7H2 |
InChI Key | SZJIAQIHDKIFGC-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H17NO4 |
Molecular Weight | 287.31 g/mol |
Exact Mass | 287.11575802 g/mol |
Topological Polar Surface Area (TPSA) | 62.20 Ų |
XlogP | 0.20 |
There are no found synonyms. |
![2D Structure of 5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-14,15-diol 2D Structure of 5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-14,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/57-dioxa-12-azapentacyclo1061021004801318nonadeca-248917-tetraene-1415-diol.jpg)
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.05% | 83.82% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.89% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.77% | 96.77% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.30% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.61% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 86.61% | 98.95% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.51% | 80.96% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.35% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.29% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.17% | 97.25% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.03% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.61% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.55% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 81.84% | 96.11% |
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.
Narcissus poeticus subsp. radiiflorus |
PubChem | 74350017 |
LOTUS | LTS0162391 |
wikiData | Q105264163 |