Lespeflorin J2
| Internal ID | 2d9f4960-70a0-4710-835f-932cbefe548f |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | [(6aR,11aR)-3,9-dihydroxy-4,10-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=C(C=CC2=C1OCC3C2OC4=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)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC[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)O)C |
| InChI | InChI=1S/C46H46O10/c1-22(2)8-12-26-35(47)17-16-30-42(26)54-21-34-31-19-33(39(50)28(13-9-23(3)4)43(31)55-45(30)34)41(52)38-32-20-37(49)40(51)29(14-10-24(5)6)44(32)56-46(38)27-15-11-25(53-7)18-36(27)48/h8-11,15-20,34,45,47-51H,12-14,21H2,1-7H3/t34-,45-/m0/s1 |
| InChI Key | PVSGPDNIJGJLPD-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 |
| CHEMBL556752 |
| 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 | 99.94% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.18% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.76% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.17% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.42% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.92% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.66% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.63% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.06% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.30% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.88% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.17% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.75% | 92.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.71% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.68% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.39% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.84% | 99.23% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.72% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.03% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.79% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.01% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.09% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.79% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.68% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.41% | 91.71% |
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 | 25243077 |
| LOTUS | LTS0074973 |
| wikiData | Q105215584 |