N-acetyl-MY336-A
| Internal ID | f17de17a-af72-4694-84e8-46ff55f6e052 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 1-[(1R,3S)-8-hydroxy-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone |
| SMILES (Canonical) | CC1=CC2=C(C(N(C(C2)CO)C(=O)C)CO)C(=C1OC)O |
| SMILES (Isomeric) | CC1=CC2=C([C@@H](N([C@@H](C2)CO)C(=O)C)CO)C(=C1OC)O |
| InChI | InChI=1S/C15H21NO5/c1-8-4-10-5-11(6-17)16(9(2)19)12(7-18)13(10)14(20)15(8)21-3/h4,11-12,17-18,20H,5-7H2,1-3H3/t11-,12-/m0/s1 |
| InChI Key | RTJBCLXCHUFISA-RYUDHWBXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.33 g/mol |
| Exact Mass | 295.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
| 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 | 97.21% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.40% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.98% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.53% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.52% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.27% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.18% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.34% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.68% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.73% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.64% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.49% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.84% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.32% | 90.00% |
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.
| Erythrina bidwillii |
| Erythrina lysistemon |
| PubChem | 139590323 |
| LOTUS | LTS0261153 |
| wikiData | Q105275340 |