(2S,3R,4R)-4-(3,4-dimethoxyphenyl)-6-hydroxy-7-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one
| Internal ID | ab22a4eb-6c06-4817-8b70-1e00cef423b6 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | (2S,3R,4R)-4-(3,4-dimethoxyphenyl)-6-hydroxy-7-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one |
| SMILES (Canonical) | CC1C(C(=O)C2=CC(=C(C=C2C1C3=CC(=C(C=C3)OC)OC)O)OC)C |
| SMILES (Isomeric) | C[C@H]1[C@@H](C(=O)C2=CC(=C(C=C2[C@H]1C3=CC(=C(C=C3)OC)OC)O)OC)C |
| InChI | InChI=1S/C21H24O5/c1-11-12(2)21(23)15-10-18(25-4)16(22)9-14(15)20(11)13-6-7-17(24-3)19(8-13)26-5/h6-12,20,22H,1-5H3/t11-,12-,20+/m0/s1 |
| InChI Key | ZXAFNDDXODHVOJ-JOOBJXAISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.91% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.20% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.20% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.90% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.88% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.86% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.68% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.26% | 89.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.84% | 96.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.62% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.00% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.77% | 90.20% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.40% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.32% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.65% | 94.00% |
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.
| Aristolochia holostylis |
| PubChem | 23251223 |
| LOTUS | LTS0151889 |
| wikiData | Q105385353 |