(1S,13R,16S,17R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,14-tetraene-16,17-diol
| Internal ID | 353dc411-cbbe-4f7d-9545-8c91b8d1f33b |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (1S,13R,16S,17R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,14-tetraene-16,17-diol |
| SMILES (Canonical) | C1CN2CC3=CC4=C(C=C3C15C2C=CC(C5O)O)OCO4 |
| SMILES (Isomeric) | C1CN2CC3=CC4=C(C=C3[C@]15[C@H]2C=C[C@@H]([C@@H]5O)O)OCO4 |
| InChI | InChI=1S/C16H17NO4/c18-11-1-2-14-16(15(11)19)3-4-17(14)7-9-5-12-13(6-10(9)16)21-8-20-12/h1-2,5-6,11,14-15,18-19H,3-4,7-8H2/t11-,14+,15-,16-/m0/s1 |
| InChI Key | ILDJOSFNVDLQPM-MWNCTCPHSA-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 | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,13R,16S,17R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,14-tetraene-16,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/8e0fa650-85c0-11ee-b3be-0df39d7f4468.jpg "2D Structure of (1S,13R,16S,17R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,14-tetraene-16,17-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.67% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.54% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.66% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.73% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.81% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.74% | 97.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.36% | 96.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.10% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.63% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.41% | 97.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.03% | 93.04% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.80% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
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.
| Crinum asiaticum |
| PubChem | 163000688 |
| LOTUS | LTS0126678 |
| wikiData | Q105115102 |