[(1S,17S,18R,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] (3R)-3-hydroxybutanoate
| Internal ID | daf36e0d-ff5c-441b-b127-d4a11815b32b |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Lycorine-type amaryllidaceae alkaloids |
| IUPAC Name | [(1S,17S,18R,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] (3R)-3-hydroxybutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H23NO6/c1-10(22)4-17(24)27-20-14(23)5-11-2-3-21-8-12-6-15-16(26-9-25-15)7-13(12)18(20)19(11)21/h5-7,10,14,18-20,22-23H,2-4,8-9H2,1H3/t10-,14+,18+,19-,20+/m1/s1 |
| InChI Key | AMVDLCRDRNPXIY-ZNOCGUAXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H23NO6 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of [(1S,17S,18R,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] (3R)-3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/dca5f1d0-87e7-11ee-94fe-1509bef760e1.jpg "2D Structure of [(1S,17S,18R,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] (3R)-3-hydroxybutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.89% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.94% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.14% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.29% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.62% | 83.82% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.49% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.37% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.11% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.83% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.74% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.69% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.05% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.16% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.19% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.18% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.04% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.90% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.54% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.86% | 89.50% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.63% | 96.25% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.81% | 83.57% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.42% | 97.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.56% | 100.00% |
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.
| Lycoris traubii |
| PubChem | 44570382 |
| LOTUS | LTS0067422 |
| wikiData | Q104914962 |