1,6,7-trimethoxy-9-(4-methoxyphenyl)-8-[1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene
| Internal ID | 705d9aca-987f-4d74-92c6-377d469364ab |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | 1,6,7-trimethoxy-9-(4-methoxyphenyl)-8-[1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene |
| SMILES (Canonical) | COC1CCC2=C3C1=C(C(=C(C3=C(C=C2)OC)OC)C4=C(C5=C(C=CC6=C5C(=C4C7=CC=C(C=C7)OC)C(CC6)OC)OC)OC)C8=CC=C(C=C8)OC |
| SMILES (Isomeric) | COC1CCC2=C3C1=C(C(=C(C3=C(C=C2)OC)OC)C4=C(C5=C(C=CC6=C5C(=C4C7=CC=C(C=C7)OC)C(CC6)OC)OC)OC)C8=CC=C(C=C8)OC |
| InChI | InChI=1S/C46H46O8/c1-47-29-17-9-25(10-18-29)37-39-31(49-3)21-13-27-15-23-33(51-5)41(35(27)39)45(53-7)43(37)44-38(26-11-19-30(48-2)20-12-26)40-32(50-4)22-14-28-16-24-34(52-6)42(36(28)40)46(44)54-8/h9-12,15-20,23-24,31-32H,13-14,21-22H2,1-8H3 |
| InChI Key | CDRLSKPOGDTLPE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H46O8 |
| Molecular Weight | 726.80 g/mol |
| Exact Mass | 726.31926842 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of 1,6,7-trimethoxy-9-(4-methoxyphenyl)-8-[1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene](https://plantaedb.com/storage/docs/compounds/2023/11/bce11980-862e-11ee-863c-23d86b613dcb.jpg "2D Structure of 1,6,7-trimethoxy-9-(4-methoxyphenyl)-8-[1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene")
| 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 | 96.35% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.50% | 91.79% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 93.17% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.72% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.36% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.02% | 94.00% |
| CHEMBL240 | Q12809 | HERG | 90.70% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.18% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.63% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.28% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.82% | 92.94% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.46% | 94.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.76% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.57% | 95.78% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.11% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.87% | 91.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.69% | 88.48% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.06% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.73% | 92.68% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.29% | 95.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.72% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.85% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.03% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.02% | 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 | 21726993 |
| LOTUS | LTS0045577 |
| wikiData | Q104955030 |