Bipolahydroquinone A
| Internal ID | 57e1468e-deb4-4bb6-b161-0ff836bb907a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (2S,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-8,11,12-trihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h13-15,18-19,23,25,29,31-33H,8-12H2,1-7H3/t14-,15-,18+,19+,23+,25+,27-,28+/m0/s1 |
| InChI Key | JUYDYDOXISKJMP-NMOAWYSDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H42O7 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.80 |
| CHEMBL4457625 |
| 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 | 99.03% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.75% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.41% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.73% | 89.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.88% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.85% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.02% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.46% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.52% | 92.62% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.45% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.28% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.82% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.65% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.57% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.44% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.14% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.81% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.70% | 96.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.17% | 98.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.56% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.16% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.35% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.26% | 96.38% |
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 | 145721082 |
| LOTUS | LTS0041613 |
| wikiData | Q105135520 |