2-methoxy-9-phenyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenalen-1-one
| Internal ID | ca0627c0-b2f0-42f3-b6bb-e0bb3fde1256 |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | 2-methoxy-9-phenyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenalen-1-one |
| SMILES (Canonical) | COC1=CC2=C(C=CC3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC2=C(C=CC3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChI | InChI=1S/C26H24O8/c1-32-18-11-16-17(33-26-25(31)24(30)23(29)19(12-27)34-26)10-8-14-7-9-15(13-5-3-2-4-6-13)21(20(14)16)22(18)28/h2-11,19,23-27,29-31H,12H2,1H3/t19-,23-,24+,25-,26-/m1/s1 |
| InChI Key | NHWHEGSVQWZTQT-OMJUENHASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H24O8 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2-methoxy-9-phenyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenalen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-methoxy-9-phenyl-4-2s3r4s5s6r-345-trihydroxy-6-hydroxymethyloxan-2-yloxyphenalen-1-one.jpg "2D Structure of 2-methoxy-9-phenyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenalen-1-one")
| 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 | 97.65% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.97% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.74% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.47% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.18% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.58% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.38% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.02% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.66% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.49% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.08% | 95.93% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.57% | 96.67% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.63% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.57% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.96% | 96.09% |
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.
| Wachendorfia thyrsiflora |
| PubChem | 162866649 |
| LOTUS | LTS0192236 |
| wikiData | Q105179628 |