15-hydroxyangustilobine A
| Internal ID | 0c08af4c-e685-49dd-96cf-893d0ef10c62 |
| Taxonomy | Alkaloids and derivatives > Vallesaman alkaloids |
| IUPAC Name | methyl (12S,15R,16S)-15-ethenyl-16-hydroxy-14-oxa-1,10-diazapentacyclo[13.3.1.03,11.04,9.012,16]nonadeca-3(11),4,6,8-tetraene-12-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22N2O4/c1-3-18-11-22-9-8-20(18,24)19(12-26-18,17(23)25-2)16-14(10-22)13-6-4-5-7-15(13)21-16/h3-7,21,24H,1,8-12H2,2H3/t18-,19+,20-/m1/s1 |
| InChI Key | VNWCDGXRGWDKHA-HSALFYBXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H22N2O4 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 74.80 Ų |
| XlogP | 1.30 |
| CHEBI:70510 |
| Q27138842 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.98% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.21% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.10% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.47% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 90.95% | 97.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.74% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.69% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.40% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.53% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.96% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.78% | 98.75% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 86.10% | 85.83% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.84% | 96.39% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 83.83% | 97.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.31% | 88.56% |
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.
| Alstonia pneumatophora |
| PubChem | 70698298 |
| LOTUS | LTS0062062 |
| wikiData | Q27138842 |