(18-Hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl) acetate
| Internal ID | 6356b371-f1e3-47a0-9c50-0258de599dd9 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1C2=CC3=C(C=C2C45C=CC(CC4N1CC5O)OC)OCO3 |
| SMILES (Isomeric) | CC(=O)OC1C2=CC3=C(C=C2C45C=CC(CC4N1CC5O)OC)OCO3 |
| InChI | InChI=1S/C19H21NO6/c1-10(21)26-18-12-6-14-15(25-9-24-14)7-13(12)19-4-3-11(23-2)5-16(19)20(18)8-17(19)22/h3-4,6-7,11,16-18,22H,5,8-9H2,1-2H3 |
| InChI Key | HNPBCCBWWMKWTH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO6 |
| Molecular Weight | 359.40 g/mol |
| Exact Mass | 359.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (18-Hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c2fe1990-85a8-11ee-8038-6d304d6985af.jpg "2D Structure of (18-Hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.81% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.63% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.55% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.37% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.10% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.66% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.66% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.65% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.95% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.41% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.15% | 92.62% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.58% | 89.63% |
| CHEMBL5028 | O14672 | ADAM10 | 82.09% | 97.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.17% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.32% | 100.00% |
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.
| Lycoris radiata |
| PubChem | 76017493 |
| LOTUS | LTS0122891 |
| wikiData | Q105031002 |