Xiphidone
| Internal ID | 5d0ad092-6fe9-42eb-a6fd-ccc4746e8161 |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | 6-hydroxy-2,5-dimethoxy-9-phenylphenalen-1-one |
| SMILES (Canonical) | COC1=CC2=CC(=C(C3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O)O)OC |
| SMILES (Isomeric) | COC1=CC2=CC(=C(C3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O)O)OC |
| InChI | InChI=1S/C21H16O4/c1-24-16-10-13-11-17(25-2)21(23)19-14(12-6-4-3-5-7-12)8-9-15(18(13)19)20(16)22/h3-11,22H,1-2H3 |
| InChI Key | POKHGRCWDLJXAR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H16O4 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.60 |
| CHEMBL558914 |
| DTXSID401229920 |
| 6-Hydroxy-2,5-dimethoxy-9-phenyl-1H-phenalen-1-one |
| 33033-35-1 |
| 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 | 99.02% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.64% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.53% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.32% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.86% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.36% | 90.20% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.97% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.80% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.60% | 96.09% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.96% | 96.67% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 86.95% | 98.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.90% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.83% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.94% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.49% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.46% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.15% | 99.15% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.83% | 94.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.35% | 99.17% |
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.
| Haemodorum simplex |
| Xiphidium caeruleum |
| PubChem | 45273567 |
| LOTUS | LTS0071695 |
| wikiData | Q104400776 |