Lagerstroemine
| Internal ID | ce408440-fb93-4da0-8372-2978deec0d7d |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC |
| InChI | InChI=1S/C26H31NO5/c1-30-23-10-8-19-21-15-18(14-17-5-3-4-12-27(17)21)32-24(29)11-7-16-6-9-22(28)20(13-16)25(19)26(23)31-2/h6,8-10,13,17-18,21,28H,3-5,7,11-12,14-15H2,1-2H3 |
| InChI Key | RYMSMTOEKVDTDB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H31NO5 |
| Molecular Weight | 437.50 g/mol |
| Exact Mass | 437.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.30 |
| Lagerstremine |
| Indicamine? |
| CHEBI:185104 |
| 9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-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 | 95.28% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.14% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.05% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.82% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.79% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.57% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.63% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.24% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 89.49% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.46% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.33% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.02% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.32% | 92.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.43% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.52% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.21% | 94.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.61% | 94.78% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.61% | 96.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.60% | 99.18% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.43% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.22% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.88% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.83% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.70% | 97.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.59% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.99% | 92.94% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.64% | 82.38% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 81.21% | 93.33% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 80.60% | 94.05% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.18% | 91.96% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.05% | 91.00% |
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.
| Lagerstroemia indica |
| Lagerstroemia speciosa |
| PubChem | 78385190 |
| LOTUS | LTS0199680 |
| wikiData | Q105247708 |