14-hydroxy-15-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
| Internal ID | e655ea43-9c3d-4259-adf3-4b73cbd2f36f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 14-hydroxy-15-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H21NO9/c1-30-20-13(25)6-11-15-12(23-21(11)29)4-8-2-3-9(5-10(8)16(15)20)31-22-19(28)18(27)17(26)14(7-24)32-22/h2-6,14,17-19,22,24-28H,7H2,1H3,(H,23,29)/t14-,17-,18+,19-,22-/m1/s1 |
| InChI Key | OELDBESAYZDHRI-MAEOEUOPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H21NO9 |
| Molecular Weight | 443.40 g/mol |
| Exact Mass | 443.12163125 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 14-hydroxy-15-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/ff2172f0-8627-11ee-b51b-69e1983a0e4a.jpg "2D Structure of 14-hydroxy-15-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.78% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.45% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.75% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.95% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.47% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.23% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.73% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.83% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.50% | 91.49% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.98% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.27% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.10% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.92% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.70% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.52% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.28% | 86.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.93% | 92.88% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.82% | 86.92% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.30% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.11% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.77% | 93.18% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.64% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.32% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.81% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.17% | 91.07% |
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.
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| There are no matching plants. |
| PubChem | 162976144 |
| LOTUS | LTS0092169 |
| wikiData | Q105190351 |