2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,8-dihydroxy-6-methylanthracene-9,10-dione
| Internal ID | b347606d-3bdb-4a2f-bed1-953c869ef7fa |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,8-dihydroxy-6-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)CC=C(C)CCC=C(C)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)C/C=C(\C)/CCC=C(C)C |
| InChI | InChI=1S/C25H26O4/c1-14(2)6-5-7-15(3)8-9-17-10-11-18-22(23(17)27)25(29)21-19(24(18)28)12-16(4)13-20(21)26/h6,8,10-13,26-27H,5,7,9H2,1-4H3/b15-8+ |
| InChI Key | NNYGRKRBQXGQGY-OVCLIPMQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O4 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,8-dihydroxy-6-methylanthracene-9,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-2e-37-dimethylocta-26-dienyl-18-dihydroxy-6-methylanthracene-910-dione.jpg "2D Structure of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,8-dihydroxy-6-methylanthracene-9,10-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.52% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.72% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.66% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.07% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.07% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.34% | 92.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.30% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.91% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.85% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.86% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.84% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.09% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.73% | 86.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.54% | 93.10% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.88% | 96.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.63% | 96.90% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.45% | 85.30% |
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.
| Cratoxylum arborescens |
| PubChem | 11406643 |
| LOTUS | LTS0275340 |
| wikiData | Q105182382 |