(1S,2R,3S)-4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
| Internal ID | d85dfcab-30cf-4c95-999d-6b54ea8bd7c0 |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | (1S,2R,3S)-4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=C3C(C(C(C4=CC=CC(=C43)C=C2)O)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=C3[C@@H]([C@@H]([C@H](C4=CC=CC(=C43)C=C2)O)O)O |
| InChI | InChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3/t18-,19-,20+/m0/s1 |
| InChI Key | UBACNSNNFBHJLG-SLFFLAALSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O4 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 96.34% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.75% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.70% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.23% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.25% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.24% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.77% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.47% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.87% | 86.92% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.21% | 91.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.79% | 95.93% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.35% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.40% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.08% | 99.15% |
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 |
| Musa balbisiana |
| PubChem | 11034619 |
| LOTUS | LTS0095928 |
| wikiData | Q105269159 |