1-[7-(7-Acetyl-1,8-dihydroxy-6-methylnaphthalen-2-yl)-1,8-dihydroxy-3-methyl-1,2-dihydronaphthalen-2-yl]ethanone
| Internal ID | a562268f-57aa-4248-95fd-6c01f749b807 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthols and derivatives |
| IUPAC Name | 1-[7-(7-acetyl-1,8-dihydroxy-6-methylnaphthalen-2-yl)-1,8-dihydroxy-3-methyl-1,2-dihydronaphthalen-2-yl]ethanone |
| SMILES (Canonical) | CC1=CC2=C(C(C1C(=O)C)O)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C(=C4O)C(=O)C)C)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(C1C(=O)C)O)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C(=C4O)C(=O)C)C)O)O |
| InChI | InChI=1S/C26H24O6/c1-11-9-15-5-7-17(23(29)21(15)25(31)19(11)13(3)27)18-8-6-16-10-12(2)20(14(4)28)26(32)22(16)24(18)30/h5-10,19,25,29-32H,1-4H3 |
| InChI Key | NHTFVOKKQWBTNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H24O6 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 1-[7-(7-Acetyl-1,8-dihydroxy-6-methylnaphthalen-2-yl)-1,8-dihydroxy-3-methyl-1,2-dihydronaphthalen-2-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/0ab003d0-86c4-11ee-8075-f355ba45117d.jpg "2D Structure of 1-[7-(7-Acetyl-1,8-dihydroxy-6-methylnaphthalen-2-yl)-1,8-dihydroxy-3-methyl-1,2-dihydronaphthalen-2-yl]ethanone")
| 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 | 97.53% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.55% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.91% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.66% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.71% | 96.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.64% | 94.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.47% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.32% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.98% | 89.62% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.46% | 93.65% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.44% | 85.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.90% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.43% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.33% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.27% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.83% | 86.33% |
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.
| Dianella revoluta |
| PubChem | 163022179 |
| LOTUS | LTS0191617 |
| wikiData | Q105179572 |