3,3'-Bis(4''-hydroxyanigorufone)
| Internal ID | 7b750968-f113-4f5e-8ce9-588a51353720 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Amphilectane, neoamphilectane, cycloamphilectane, and adociane diterpenoids |
| IUPAC Name | 2-hydroxy-3-[2-hydroxy-4-(4-hydroxyphenyl)-3-oxophenalen-1-yl]-9-(4-hydroxyphenyl)phenalen-1-one |
| SMILES (Canonical) | C1=CC2=C3C(=C1)C(=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)C5=C(C(=O)C6=C(C=CC7=C6C5=CC=C7)C8=CC=C(C=C8)O)O |
| SMILES (Isomeric) | C1=CC2=C3C(=C1)C(=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)C5=C(C(=O)C6=C(C=CC7=C6C5=CC=C7)C8=CC=C(C=C8)O)O |
| InChI | InChI=1S/C38H22O6/c39-23-13-7-19(8-14-23)25-17-11-21-3-1-5-27-29(21)31(25)35(41)37(43)33(27)34-28-6-2-4-22-12-18-26(20-9-15-24(40)16-10-20)32(30(22)28)36(42)38(34)44/h1-18,39-40,43-44H |
| InChI Key | QDYVWJODKPDRFG-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C38H22O6 |
| Molecular Weight | 574.60 g/mol |
| Exact Mass | 574.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 7.40 |
| 3,3'-Bis(4''-hydroxyanigorufone) |
| 3,3'-Bis[2-hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one] |
| 2,2'-Dihydroxy-4,4'-bis(4-hydroxyphenyl)[1,1'-biphenalene]-3,3'-dione |
| 2,2'-Dihydroxy-9,9'-bis(4-hydroxyphenyl)-[3,3'-bi-1H-phenalene]-1,1'-dione |
| 190372-82-8 |
| 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 | 97.53% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.48% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.39% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.83% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.76% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.42% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.79% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.40% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.21% | 99.15% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.70% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.48% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.39% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.15% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.58% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.37% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.22% | 93.10% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.60% | 82.69% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.00% | 98.75% |
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.
| Anigozanthos bicolor |
| Anigozanthos preissii |
| Musa acuminata |
| PubChem | 136703905 |
| LOTUS | LTS0045506 |
| wikiData | Q105219049 |