(13aS,14S)-4,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6,14-triol
| Internal ID | c7564e28-6347-49d0-9eab-72db18d4ced3 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthroindolizidines |
| IUPAC Name | (13aS,14S)-4,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6,14-triol |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3=C(C(C4CCCN4C3)O)C5=C2C(=C(C=C5)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3=C([C@@H]([C@@H]4CCCN4C3)O)C5=C2C(=C(C=C5)O)OC)O |
| InChI | InChI=1S/C22H23NO5/c1-27-18-9-12-13(8-17(18)25)20-11(5-6-16(24)22(20)28-2)19-14(12)10-23-7-3-4-15(23)21(19)26/h5-6,8-9,15,21,24-26H,3-4,7,10H2,1-2H3/t15-,21+/m0/s1 |
| InChI Key | CMYVLWHAFMMTBU-YCRPNKLZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H23NO5 |
| Molecular Weight | 381.40 g/mol |
| Exact Mass | 381.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 82.40 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (13aS,14S)-4,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6,14-triol](https://plantaedb.com/storage/docs/compounds/2023/11/13as14s-47-dimethoxy-911121313a14-hexahydrophenanthro910-findolizine-3614-triol.jpg "2D Structure of (13aS,14S)-4,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6,14-triol")
| 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 | 98.15% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.16% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.82% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.08% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.71% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.08% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.55% | 88.48% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.52% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.16% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.12% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.53% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.97% | 94.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.98% | 80.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.83% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.15% | 83.82% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.05% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.26% | 99.15% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.16% | 91.03% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.32% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.60% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.33% | 82.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.96% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.59% | 90.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.20% | 95.12% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.18% | 95.53% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 80.14% | 89.32% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10691250 |
| LOTUS | LTS0211875 |
| wikiData | Q104965400 |