(18-Hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl) acetate
Internal ID | 5765ebb9-a5f4-4b5c-826c-9b5a1ca3febb |
Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
IUPAC Name | (18-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl) acetate |
SMILES (Canonical) | CC(=O)OC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O |
SMILES (Isomeric) | CC(=O)OC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O |
InChI | InChI=1S/C18H19NO5/c1-10(20)24-12-2-3-18-13-6-15-14(22-9-23-15)4-11(13)7-19(8-17(18)21)16(18)5-12/h2-4,6,12,16-17,21H,5,7-9H2,1H3 |
InChI Key | NWAYYOQRSAEORM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H19NO5 |
Molecular Weight | 329.30 g/mol |
Exact Mass | 329.12632271 g/mol |
Topological Polar Surface Area (TPSA) | 68.20 Ų |
XlogP | 1.30 |
There are no found synonyms. |
![2D Structure of (18-Hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl) acetate 2D Structure of (18-Hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8e15e470-8657-11ee-8c45-57d86b672692.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 |
---|---|---|---|---|
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.95% | 96.77% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.69% | 94.45% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.61% | 83.82% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.15% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.71% | 86.33% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.68% | 91.19% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.36% | 97.21% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.40% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 87.43% | 98.95% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.25% | 96.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.10% | 100.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.20% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.63% | 90.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.46% | 92.62% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.56% | 89.50% |
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 |
Crinum bulbispermum |
Crinum latifolium |
Crinum macowanii |
Crinum zeylanicum |
PubChem | 73657405 |
LOTUS | LTS0099869 |
wikiData | Q105186507 |