N-Isopentylcrinasiadine
| Internal ID | 58b577bf-d6d4-49a7-be50-d40140f3d802 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids |
| IUPAC Name | 5-(3-methylbutyl)-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| SMILES (Canonical) | CC(C)CCN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| SMILES (Isomeric) | CC(C)CCN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| InChI | InChI=1S/C19H19NO3/c1-12(2)7-8-20-16-6-4-3-5-13(16)14-9-17-18(23-11-22-17)10-15(14)19(20)21/h3-6,9-10,12H,7-8,11H2,1-2H3 |
| InChI Key | RICZHCMSXSXKCY-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H19NO3 |
| Molecular Weight | 309.40 g/mol |
| Exact Mass | 309.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 4.10 |
| CHEMBL2208200 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.60% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.77% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.90% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.64% | 98.59% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.57% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.19% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.85% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.73% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.94% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.13% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.02% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.75% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.38% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.83% | 93.40% |
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.
| Zephyranthes candida |
| PubChem | 71452577 |
| LOTUS | LTS0160326 |
| wikiData | Q105236764 |