(1R,13S,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene
| Internal ID | 72a12bbb-6591-41fb-afdb-3a93ae62b9de |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (1R,13S,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene |
| SMILES (Canonical) | COC1CC2C3(CCN2CC4=CC5=C(C=C43)OCO5)C=C1 |
| SMILES (Isomeric) | CO[C@@H]1C[C@H]2[C@]3(CCN2CC4=CC5=C(C=C43)OCO5)C=C1 |
| InChI | InChI=1S/C17H19NO3/c1-19-12-2-3-17-4-5-18(16(17)7-12)9-11-6-14-15(8-13(11)17)21-10-20-14/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3/t12-,16-,17-/m0/s1 |
| InChI Key | HATSAIPBKRRCME-ZLIFDBKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.34 g/mol |
| Exact Mass | 285.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 30.90 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1R,13S,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/3ba83720-8231-11ee-82cf-4f702c642d3e.jpg "2D Structure of (1R,13S,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene")
| 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 | 97.64% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.63% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 92.89% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.10% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.82% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.96% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.07% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.91% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.27% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.21% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.08% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.31% | 82.67% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.00% | 80.96% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.81% | 90.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.75% | 82.38% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.19% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.66% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.30% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.20% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.96% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.60% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.90% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.71% | 91.03% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.55% | 97.93% |
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 moorei |
| Sternbergia lutea |
| PubChem | 12302150 |
| LOTUS | LTS0108004 |
| wikiData | Q105025070 |