(2R,3S)-2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one
| Internal ID | 0b53a6f1-f6e3-42e1-8ff7-d5b286e3099b |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | (2R,3S)-2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one |
| SMILES (Canonical) | C1=CC2=C3C(=C1)C(C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)O |
| SMILES (Isomeric) | C1=CC2=C3C(=C1)[C@@H]([C@H](C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)O |
| InChI | InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H/t17-,19+/m0/s1 |
| InChI Key | HQIRTAPJDZWJHS-PKOBYXMFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H14O4 |
| Molecular Weight | 306.30 g/mol |
| Exact Mass | 306.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.48% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.70% | 95.56% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.90% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.97% | 98.35% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.12% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.34% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.20% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.34% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.83% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.00% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.72% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.65% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.56% | 93.03% |
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.
| Musa acuminata |
| PubChem | 10881321 |
| LOTUS | LTS0085587 |
| wikiData | Q105032260 |