6Alpha-Hydroxyundulatine
| Internal ID | 423f29e2-67cc-4575-8a4b-39a2b0d1b176 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (1S,11R,13R,15R,16S,18R)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-11-ol |
| SMILES (Canonical) | COC1CC2C3(CCN2C(C4=C(C5=C(C=C43)OCO5)OC)O)C6C1O6 |
| SMILES (Isomeric) | CO[C@@H]1C[C@@H]2[C@@]3(CCN2[C@@H](C4=C(C5=C(C=C43)OCO5)OC)O)[C@@H]6[C@H]1O6 |
| InChI | InChI=1S/C18H21NO6/c1-21-9-6-11-18(16-14(9)25-16)3-4-19(11)17(20)12-8(18)5-10-13(15(12)22-2)24-7-23-10/h5,9,11,14,16-17,20H,3-4,6-7H2,1-2H3/t9-,11-,14+,16+,17-,18+/m1/s1 |
| InChI Key | MSOASAXKAHRWRY-GJEABJGOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H21NO6 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 0.80 |
| CHEMBL2146606 |
| 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 | 99.38% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.80% | 83.82% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.76% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.26% | 96.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.08% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.49% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.76% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.42% | 95.93% |
| CHEMBL204 | P00734 | Thrombin | 84.69% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.56% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.42% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.29% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.50% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.19% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.02% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.81% | 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.
| Ammocharis tinneana |
| Euphorbia pulcherrima |
| PubChem | 15479738 |
| LOTUS | LTS0118968 |
| wikiData | Q105131292 |