Acetyl-caranine
| Internal ID | 81901cd7-881b-470a-84c9-93e9d85ff3f1 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Lycorine-type amaryllidaceae alkaloids |
| IUPAC Name | 5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl acetate |
| SMILES (Canonical) | CC(=O)OC1CC=C2CCN3C2C1C4=CC5=C(C=C4C3)OCO5 |
| SMILES (Isomeric) | CC(=O)OC1CC=C2CCN3C2C1C4=CC5=C(C=C4C3)OCO5 |
| InChI | InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3 |
| InChI Key | SEWQEQSXDGJDGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.30 g/mol |
| Exact Mass | 313.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 1.70 |
| SEWQEQSXDGJDGG-UHFFFAOYSA-N |
| 2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.66% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.35% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.91% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.21% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.16% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.61% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.36% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.38% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.24% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.98% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.49% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.80% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.73% | 90.71% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.78% | 90.95% |
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.
| Amaryllis belladonna |
| Ammocharis coranica |
| PubChem | 614745 |
| LOTUS | LTS0191189 |
| wikiData | Q105251578 |