1,6,7-trimethoxy-9-phenyl-8-(1,4,9-trimethoxy-3-phenyl-5,6-dihydro-4H-phenalen-2-yl)-2,3-dihydro-1H-phenalene
| Internal ID | 0af5a374-1c21-4a40-8c97-d7705909fc95 |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | 1,6,7-trimethoxy-9-phenyl-8-(1,4,9-trimethoxy-3-phenyl-5,6-dihydro-4H-phenalen-2-yl)-2,3-dihydro-1H-phenalene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H42O6/c1-45-29-21-17-27-19-23-31(47-3)39-33(27)37(29)35(25-13-9-7-10-14-25)41(43(39)49-5)42-36(26-15-11-8-12-16-26)38-30(46-2)22-18-28-20-24-32(48-4)40(34(28)38)44(42)50-6/h7-16,19-20,23-24,29-30H,17-18,21-22H2,1-6H3 |
| InChI Key | BCRCWMAFWGAHCT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H42O6 |
| Molecular Weight | 666.80 g/mol |
| Exact Mass | 666.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 9.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.14% | 96.09% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 94.05% | 94.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.76% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.49% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 88.34% | 89.76% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.17% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.45% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.25% | 97.14% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 83.21% | 95.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.36% | 94.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.67% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 21726992 |
| LOTUS | LTS0081192 |
| wikiData | Q104923592 |