rel-(2R,3S)-2,3-Dihydro-2,3-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-1H-phenalen-1-one
| Internal ID | 8a535169-99e0-4868-8fe4-ef9f89e3a2cf |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | (2R,3S)-2,3-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrophenalen-1-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C3C(=O)C(C(C4=CC=CC(=C43)C=C2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C3C(=O)[C@@H]([C@H](C4=CC=CC(=C43)C=C2)O)O)O |
| InChI | InChI=1S/C20H16O5/c1-25-15-9-11(6-8-14(15)21)12-7-5-10-3-2-4-13-16(10)17(12)19(23)20(24)18(13)22/h2-9,18,20-22,24H,1H3/t18-,20+/m0/s1 |
| InChI Key | IXESIDXHOPLUCB-AZUAARDMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O5 |
| Molecular Weight | 336.30 g/mol |
| Exact Mass | 336.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.50 |
| rel-(2R,3S)-2,3-Dihydro-2,3-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-1H-phenalen-1-one |
| 173560-64-0 |
| 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 | 97.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.59% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.47% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.65% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.33% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.40% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.97% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.75% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.30% | 85.14% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.13% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.61% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.88% | 90.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.68% | 80.78% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.61% | 91.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.27% | 98.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.64% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.11% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.00% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.78% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.74% | 92.94% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.61% | 95.53% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.53% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.35% | 86.92% |
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 | 162968764 |
| LOTUS | LTS0116641 |
| wikiData | Q105122107 |