4,7-Dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol
| Internal ID | 8ee7f2ef-faf8-41e7-b078-27b730016c73 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthroindolizidines |
| IUPAC Name | 4,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3=C(CC4CCCN4C3)C5=C2C(=C(C=C5)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3=C(CC4CCCN4C3)C5=C2C(=C(C=C5)O)OC)O |
| InChI | InChI=1S/C22H23NO4/c1-26-20-10-15-16(9-19(20)25)21-13(5-6-18(24)22(21)27-2)14-8-12-4-3-7-23(12)11-17(14)15/h5-6,9-10,12,24-25H,3-4,7-8,11H2,1-2H3 |
| InChI Key | WPOKYTPPLXAILU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H23NO4 |
| Molecular Weight | 365.40 g/mol |
| Exact Mass | 365.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 4,7-Dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/47-dimethoxy-911121313a14-hexahydrophenanthro910-findolizine-36-diol.jpg "2D Structure of 4,7-Dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol")
| 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 | 98.04% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 96.58% | 89.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 95.11% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.98% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.73% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.14% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.69% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.44% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.98% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.78% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.84% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.68% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.43% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.04% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.43% | 95.62% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.39% | 99.18% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.57% | 80.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.97% | 94.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.64% | 95.12% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.52% | 90.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.70% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.88% | 93.03% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.96% | 82.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.68% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.54% | 97.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.90% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.85% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85258808 |
| LOTUS | LTS0104259 |
| wikiData | Q105310101 |