Leiocin
| Internal ID | 7b72cf4b-f1cb-445a-830b-05edf47ad0eb |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 6-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-1,3-benzodioxol-5-ol |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=CC5=C(C=C4O)OCO5)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=CC5=C(C=C4O)OCO5)C |
| InChI | InChI=1S/C21H20O5/c1-21(2)6-5-14-17(26-21)4-3-12-7-13(10-23-20(12)14)15-8-18-19(9-16(15)22)25-11-24-18/h3-6,8-9,13,22H,7,10-11H2,1-2H3 |
| InChI Key | ADVVUFYZTDQZLS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.10 |
| CHEMBL463484 |
| LMPK12080017 |
| 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 | 98.95% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.05% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.24% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.90% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.22% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.20% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.89% | 96.77% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 89.91% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.97% | 89.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.63% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.38% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.25% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.27% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.16% | 99.35% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.98% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.63% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.74% | 99.15% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.16% | 82.67% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 81.37% | 99.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.15% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.93% | 97.09% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.69% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.61% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.37% | 93.10% |
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.
| Berchemia discolor |
| Dalbergia hupeana |
| Dalbergia nitidula |
| PubChem | 630752 |
| LOTUS | LTS0182785 |
| wikiData | Q104399160 |