(1S,9S,10S)-10-hydroxy-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,12-tetraen-11-one
| Internal ID | 221c1644-40de-4567-9940-324102b9b0b3 |
| Taxonomy | Alkaloids and derivatives > Morphinans |
| IUPAC Name | (1S,9S,10S)-10-hydroxy-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,12-tetraen-11-one |
| SMILES (Canonical) | CN1CCC23CC(=C(C(=O)C2(C1CC4=CC(=C(C=C34)OC)OC)O)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23CC(=C(C(=O)[C@]2([C@@H]1CC4=CC(=C(C=C34)OC)OC)O)OC)OC |
| InChI | InChI=1S/C21H27NO6/c1-22-7-6-20-11-16(27-4)18(28-5)19(23)21(20,24)17(22)9-12-8-14(25-2)15(26-3)10-13(12)20/h8,10,17,24H,6-7,9,11H2,1-5H3/t17-,20-,21-/m0/s1 |
| InChI Key | ZSVCDCCZZTUVMY-YYWHXJBOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27NO6 |
| Molecular Weight | 389.40 g/mol |
| Exact Mass | 389.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1S,9S,10S)-10-hydroxy-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,12-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/fc061c40-8534-11ee-bf31-7de2e0d3cd9e.jpg "2D Structure of (1S,9S,10S)-10-hydroxy-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,12-tetraen-11-one")
| 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 | 98.14% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.91% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.07% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.89% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.42% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.61% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.15% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.87% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.53% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.26% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.47% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.16% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.85% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.27% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.96% | 94.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.94% | 82.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.78% | 91.03% |
| CHEMBL5028 | O14672 | ADAM10 | 80.15% | 97.50% |
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.
| Pachygone dasycarpa |
| PubChem | 16058172 |
| LOTUS | LTS0130677 |
| wikiData | Q105382748 |