Isotazettinol
| Internal ID | 63b79d64-cc98-4841-b18e-111495e39bae |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Tazettine-type amaryllidaceae alkaloids |
| IUPAC Name | 15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-13,18-diol |
| SMILES (Canonical) | CN1CC2(C3(C1CC(C=C3)O)C4=CC5=C(C=C4CO2)OCO5)O |
| SMILES (Isomeric) | CN1CC2(C3(C1CC(C=C3)O)C4=CC5=C(C=C4CO2)OCO5)O |
| InChI | InChI=1S/C17H19NO5/c1-18-8-17(20)16(3-2-11(19)5-15(16)18)12-6-14-13(21-9-22-14)4-10(12)7-23-17/h2-4,6,11,15,19-20H,5,7-9H2,1H3 |
| InChI Key | SJLHMPKOJFHXQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19NO5 |
| Molecular Weight | 317.34 g/mol |
| Exact Mass | 317.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 0.50 |
| SJLHMPKOJFHXQA-UHFFFAOYSA-N |
| 5-Methyl-4,4a,5,6-tetrahydro-8H-[1,3]dioxolo[4',5':6,7]isochromeno[3,4-c]indole-3,6a(3H)-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.97% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.23% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.83% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.52% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.97% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.50% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.41% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.18% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.45% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.39% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.30% | 83.82% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.00% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.58% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.51% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 83.77% | 95.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.71% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.92% | 95.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.84% | 96.39% |
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.
| Galanthus gracilis |
| Hippeastrum puniceum |
| PubChem | 535745 |
| LOTUS | LTS0084446 |
| wikiData | Q105254401 |