7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
| Internal ID | 258ad798-532f-40f9-8951-b1e93a2d5f47 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C(C(=CC3=CC(=C(C(=C23)OC)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C2C(C(=CC3=CC(=C(C(=C23)OC)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O |
| InChI | InChI=1S/C38H40N2O10/c1-47-28-19-24(20-29(48-2)34(28)43)31-32-23(18-30(49-3)35(44)36(32)50-4)17-27(37(45)39-15-13-21-5-9-25(41)10-6-21)33(31)38(46)40-16-14-22-7-11-26(42)12-8-22/h5-12,17-20,31,33,41-44H,13-16H2,1-4H3,(H,39,45)(H,40,46) |
| InChI Key | IFNFMIMLJKQPGW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H40N2O10 |
| Molecular Weight | 684.70 g/mol |
| Exact Mass | 684.26829548 g/mol |
| Topological Polar Surface Area (TPSA) | 176.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/23311070-8622-11ee-bc75-5d79525abb22.jpg "2D Structure of 7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide")
| 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 | 99.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.93% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.88% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.92% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.01% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.99% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.25% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.58% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.47% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.40% | 94.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.41% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.39% | 90.20% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.95% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.68% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.89% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.97% | 96.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.51% | 85.00% |
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.
| Litsea hypophaea |
| PubChem | 46888126 |
| LOTUS | LTS0265229 |
| wikiData | Q105112255 |