4-[(3,6-Dimethoxy-1,1,7-trimethyl-2-oxo-9-phenanthryl)oxy]-8-methoxy-3,3,7-trimethyl-cyclopenta[a]naphthalene-2,5-dione
| Internal ID | 709297d4-aa84-432b-b50c-a0370e904c20 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 4-(3,6-dimethoxy-1,1,7-trimethyl-2-oxophenanthren-9-yl)oxy-8-methoxy-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione |
| SMILES (Canonical) | CC1=CC2=C(C=C1OC)C3=CC(=O)C(C3=C(C2=O)OC4=C5C=C(C(=CC5=C6C=C(C(=O)C(C6=C4)(C)C)OC)OC)C)(C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1OC)C3=CC(=O)C(C3=C(C2=O)OC4=C5C=C(C(=CC5=C6C=C(C(=O)C(C6=C4)(C)C)OC)OC)C)(C)C |
| InChI | InChI=1S/C36H34O7/c1-17-10-22-19(12-26(17)40-7)21-14-29(42-9)34(39)35(3,4)25(21)16-28(22)43-33-31-23(15-30(37)36(31,5)6)20-13-27(41-8)18(2)11-24(20)32(33)38/h10-16H,1-9H3 |
| InChI Key | GOAXONQUIUAYOC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H34O7 |
| Molecular Weight | 578.60 g/mol |
| Exact Mass | 578.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 6.60 |
| 4-[(3,6-dimethoxy-1,1,7-trimethyl-2-oxo-9-phenanthryl)oxy]-8-methoxy-3,3,7-trimethyl-cyclopenta[a]naphthalene-2,5-dione |
![2D Structure of 4-[(3,6-Dimethoxy-1,1,7-trimethyl-2-oxo-9-phenanthryl)oxy]-8-methoxy-3,3,7-trimethyl-cyclopenta[a]naphthalene-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3a5b29d0-851b-11ee-a813-854ff850b8cc.jpg "2D Structure of 4-[(3,6-Dimethoxy-1,1,7-trimethyl-2-oxo-9-phenanthryl)oxy]-8-methoxy-3,3,7-trimethyl-cyclopenta[a]naphthalene-2,5-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.10% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.60% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.60% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.05% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.57% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.90% | 91.49% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.46% | 96.38% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.98% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.86% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.19% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.92% | 92.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.80% | 93.31% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.50% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.87% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.63% | 94.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.40% | 92.38% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.01% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.82% | 96.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 81.38% | 95.70% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.78% | 96.67% |
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.
| Strophioblachia fimbricalyx |
| PubChem | 71623988 |
| LOTUS | LTS0196923 |
| wikiData | Q105013602 |