Lespeflorin J4
| Internal ID | 297ee9be-3ab8-4687-9548-fba02f56e3cc |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | [(6aR,11aR)-3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl]-[5,6-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-(3-methylbut-2-enyl)-1-benzofuran-3-yl]methanone |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C(C(=C(C=C34)C(=O)C5=C(OC6=C(C(=C(C=C56)O)O)CC=C(C)C)C7=C(C=C(C=C7)OC)O)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OC[C@@H]3[C@H]2OC4=C(C(=C(C=C34)C(=O)C5=C(OC6=C(C(=C(C=C56)O)O)CC=C(C)C)C7=C(C=C(C=C7)OC)O)O)CC=C(C)C)C |
| InChI | InChI=1S/C46H46O10/c1-22(2)8-11-25-16-31-38(20-35(25)47)54-21-34-30-18-33(40(50)28(13-9-23(3)4)43(30)55-45(31)34)42(52)39-32-19-37(49)41(51)29(14-10-24(5)6)44(32)56-46(39)27-15-12-26(53-7)17-36(27)48/h8-10,12,15-20,34,45,47-51H,11,13-14,21H2,1-7H3/t34-,45-/m0/s1 |
| InChI Key | GFGQVFFYGKOFJS-LEEIDUJMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C46H46O10 |
| Molecular Weight | 758.80 g/mol |
| Exact Mass | 758.30909766 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 10.90 |
| CHEMBL552346 |
| 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 | 99.96% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 94.39% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.14% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.71% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.58% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.44% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.15% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.30% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.09% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.72% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.45% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.57% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.44% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.91% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.39% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.05% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.33% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.22% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.11% | 90.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.56% | 95.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.64% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.22% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.28% | 91.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.21% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.87% | 94.80% |
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.
| Lespedeza floribunda |
| PubChem | 25243395 |
| LOTUS | LTS0249177 |
| wikiData | Q105007534 |