2-(Hydroxymethyl)-6-[[18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy]oxane-3,4,5-triol
| Internal ID | a132d78b-7651-4559-8ea7-78c1582b1622 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Lycorine-type amaryllidaceae alkaloids |
| IUPAC Name | 2-(hydroxymethyl)-6-[[18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OCO4 |
| SMILES (Isomeric) | C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OCO4 |
| InChI | InChI=1S/C28H37NO14/c30-7-16-20(32)22(34)24(36)27(41-16)40-15-3-10-1-2-29-6-11-4-13-14(39-9-38-13)5-12(11)18(19(10)29)26(15)43-28-25(37)23(35)21(33)17(8-31)42-28/h3-5,15-28,30-37H,1-2,6-9H2 |
| InChI Key | NAGIBFPIZBJGNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H37NO14 |
| Molecular Weight | 611.60 g/mol |
| Exact Mass | 611.22140485 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[[18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/e6cb74b0-85bb-11ee-a639-edbdd5187640.jpg "2D Structure of 2-(Hydroxymethyl)-6-[[18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy]oxane-3,4,5-triol")
| 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 | 98.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.46% | 83.57% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.57% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.73% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.17% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.51% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.22% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.19% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.54% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.76% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.32% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.18% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.13% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.34% | 99.17% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.62% | 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.
| Cota tinctoria |
| Crinum asiaticum |
| PubChem | 14539284 |
| LOTUS | LTS0260890 |
| wikiData | Q104964554 |