Australone B
| Internal ID | 870905ac-f98c-48ff-88a6-02938a2cb87a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 5-hydroxy-2-[2-hydroxy-4-[5-hydroxy-2-[5-hydroxy-8-(4-methylpent-3-enyl)-4-oxo-3,8-dihydro-2H-pyrano[2,3-h]chromen-2-yl]phenoxy]phenyl]-8-(4-methylpent-3-enyl)-3,8-dihydro-2H-pyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H46O11/c1-25(2)7-5-9-28-12-17-33-43(55-28)23-38(53)45-36(51)21-41(58-47(33)45)31-16-14-30(20-35(31)50)57-40-19-27(49)11-15-32(40)42-22-37(52)46-39(54)24-44-34(48(46)59-42)18-13-29(56-44)10-6-8-26(3)4/h7-8,11-20,23-24,28-29,41-42,49-50,53-54H,5-6,9-10,21-22H2,1-4H3 |
| InChI Key | NSDCEHYBWCTOLR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C48H46O11 |
| Molecular Weight | 798.90 g/mol |
| Exact Mass | 798.30401228 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 10.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.69% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.07% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.62% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.17% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.83% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.52% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.84% | 91.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.79% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.47% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.10% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.08% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.06% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.06% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.66% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.91% | 95.78% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.56% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.44% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.38% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.37% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.20% | 95.62% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 81.24% | 83.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.95% | 91.03% |
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.
| There are no matching plants. |
| PubChem | 101038106 |
| LOTUS | LTS0128744 |
| wikiData | Q105184966 |