10-[2-(3,7-dimethylocta-2,6-dienoxy)-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one
| Internal ID | 7bfb6091-ea58-4b2e-b439-2fca1565eaea |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 10-[2-(3,7-dimethylocta-2,6-dienoxy)-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H46O8/c1-23(2)9-8-10-25(5)12-14-53-29-20-33-39(31-16-27(7)18-35(47)41(31)45(51)43(33)37(49)22-29)38-30-15-26(6)17-34(46)40(30)44(50)42-32(38)19-28(21-36(42)48)52-13-11-24(3)4/h9,11-12,15-22,38-39,46-49H,8,10,13-14H2,1-7H3 |
| InChI Key | WWPWBEAJXVPETE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H46O8 |
| Molecular Weight | 714.80 g/mol |
| Exact Mass | 714.31926842 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 11.30 |
| There are no found synonyms. |
![2D Structure of 10-[2-(3,7-dimethylocta-2,6-dienoxy)-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/4a26f490-85bf-11ee-bd5d-bb64cb4ed718.jpg "2D Structure of 10-[2-(3,7-dimethylocta-2,6-dienoxy)-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.42% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.06% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.83% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.01% | 92.68% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.35% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.13% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.81% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.67% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.60% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.55% | 99.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.81% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.27% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.83% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.69% | 90.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.39% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.07% | 97.21% |
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.
| Psorospermum tenuifolium |
| PubChem | 162883252 |
| LOTUS | LTS0123180 |
| wikiData | Q105314210 |